smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001359737808 1064300459 /nfs/dbraw/zinc/30/04/59/1064300459.db2.gz GVKRVIVRMGZNHY-VWLOTQADSA-N 0 3 496.744 4.805 20 0 JJADHN CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CCN1CCCCC1 ZINC001359738158 1064301127 /nfs/dbraw/zinc/30/11/27/1064301127.db2.gz ONPIDOLSKZRWLM-NRFANRHFSA-N 0 3 476.463 4.730 20 0 JJADHN CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001359738959 1064304611 /nfs/dbraw/zinc/30/46/11/1064304611.db2.gz HYXADLVKNCKPOK-DYESRHJHSA-N 0 3 489.437 4.960 20 0 JJADHN CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)CCO1 ZINC001359756186 1064352590 /nfs/dbraw/zinc/35/25/90/1064352590.db2.gz NGXZTUALKFHXSN-OAQYLSRUSA-N 0 3 482.456 4.511 20 0 JJADHN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001435043373 1064460032 /nfs/dbraw/zinc/46/00/32/1064460032.db2.gz DSRXNNOHYHJMIB-LJQANCHMSA-N 0 3 457.405 4.858 20 0 JJADHN O=C(c1cc(OCC(F)F)ccn1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435064035 1064482545 /nfs/dbraw/zinc/48/25/45/1064482545.db2.gz HLNPZDPJFACLDX-UHFFFAOYSA-N 0 3 458.336 4.771 20 0 JJADHN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001359815505 1064496337 /nfs/dbraw/zinc/49/63/37/1064496337.db2.gz MZFSVZRGTZZQPW-QFIPXVFZSA-N 0 3 485.673 4.554 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359833469 1064518918 /nfs/dbraw/zinc/51/89/18/1064518918.db2.gz YAUROBHHCOHPMJ-GOTSBHOMSA-N 0 3 484.689 4.615 20 0 JJADHN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001359847037 1064533477 /nfs/dbraw/zinc/53/34/77/1064533477.db2.gz GNZOBAXVOHICKZ-UHFFFAOYSA-N 0 3 452.565 4.698 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 ZINC001359847448 1064533605 /nfs/dbraw/zinc/53/36/05/1064533605.db2.gz MRDAYRKBMRLXFT-UHFFFAOYSA-N 0 3 454.368 4.840 20 0 JJADHN Cc1cc2c(o1)c(C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)ccc2Br ZINC001359852211 1064539446 /nfs/dbraw/zinc/53/94/46/1064539446.db2.gz WTVFUZZBBFTOAC-UHFFFAOYSA-N 0 3 451.311 4.986 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001359853069 1064540901 /nfs/dbraw/zinc/54/09/01/1064540901.db2.gz DNNMHXQBTKEONY-FQEVSTJZSA-N 0 3 454.439 4.705 20 0 JJADHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c(OCC(C)C)c1 ZINC001359854486 1064541748 /nfs/dbraw/zinc/54/17/48/1064541748.db2.gz YZPBQUGMDOPOAU-UHFFFAOYSA-N 0 3 452.517 4.953 20 0 JJADHN CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1 ZINC001435189892 1064579801 /nfs/dbraw/zinc/57/98/01/1064579801.db2.gz VFRREDGJUWKXQP-RUZDIDTESA-N 0 3 450.627 4.732 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001435195244 1064583818 /nfs/dbraw/zinc/58/38/18/1064583818.db2.gz OPZCFFKTHDUQSE-QHCPKHFHSA-N 0 3 451.014 4.774 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207843 1064592709 /nfs/dbraw/zinc/59/27/09/1064592709.db2.gz MYLHKBCMWKOOEC-XUZZJYLKSA-N 0 3 457.659 4.973 20 0 JJADHN CN1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300481 1064675998 /nfs/dbraw/zinc/67/59/98/1064675998.db2.gz FIHPCSNREFLUSB-JOCHJYFZSA-N 0 3 451.920 4.968 20 0 JJADHN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001359954032 1064717752 /nfs/dbraw/zinc/71/77/52/1064717752.db2.gz CHEKRGLBEAITOR-JOCHJYFZSA-N 0 3 468.671 4.736 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1 ZINC001359955285 1064724458 /nfs/dbraw/zinc/72/44/58/1064724458.db2.gz SPIZOHVKLBDSFN-ZJSXRUAMSA-N 0 3 469.674 4.716 20 0 JJADHN CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001435519541 1064802477 /nfs/dbraw/zinc/80/24/77/1064802477.db2.gz SCFKVIHUKQOSRZ-BJKOFHAPSA-N 0 3 451.611 4.766 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCc2ccccc2)CC1 ZINC001360014858 1064813757 /nfs/dbraw/zinc/81/37/57/1064813757.db2.gz KHBBFWJQVSVBQG-UHFFFAOYSA-N 0 3 499.501 4.847 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360015991 1064814815 /nfs/dbraw/zinc/81/48/15/1064814815.db2.gz VMYANOIOCIBDHT-AZUAARDMSA-N 0 3 460.464 4.922 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccccc2Cl)CC1 ZINC001360017051 1064816294 /nfs/dbraw/zinc/81/62/94/1064816294.db2.gz BPMXTASXLSMZBT-UHFFFAOYSA-N 0 3 477.838 4.515 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360018081 1064818294 /nfs/dbraw/zinc/81/82/94/1064818294.db2.gz MIWHFNQSMBAXRY-MSOLQXFVSA-N 0 3 496.519 4.752 20 0 JJADHN CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1 ZINC001360019489 1064822703 /nfs/dbraw/zinc/82/27/03/1064822703.db2.gz QRORAZWKIHFSLM-SFHVURJKSA-N 0 3 459.428 4.982 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001360019743 1064822882 /nfs/dbraw/zinc/82/28/82/1064822882.db2.gz XTACVRFWAWZBQL-HXUWFJFHSA-N 0 3 451.792 4.654 20 0 JJADHN Cc1c(Br)cccc1CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001360028647 1064830182 /nfs/dbraw/zinc/83/01/82/1064830182.db2.gz OTNHFNHVGQFAQS-UHFFFAOYSA-N 0 3 457.334 4.909 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001360029179 1064831034 /nfs/dbraw/zinc/83/10/34/1064831034.db2.gz JBNWGTFRGWCVMQ-UHFFFAOYSA-N 0 3 463.573 4.776 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360030273 1064832035 /nfs/dbraw/zinc/83/20/35/1064832035.db2.gz GXXCWKBMTMKJQO-UNMCSNQZSA-N 0 3 460.066 4.506 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)c2cccs2)CC1 ZINC001360031004 1064832820 /nfs/dbraw/zinc/83/28/20/1064832820.db2.gz TWULQIADWHIAST-UHFFFAOYSA-N 0 3 473.637 4.964 20 0 JJADHN CC[C@@H](Cc1cccc(Br)c1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001360031825 1064833706 /nfs/dbraw/zinc/83/37/06/1064833706.db2.gz FUENCFGDMSPKJZ-SFHVURJKSA-N 0 3 453.371 4.886 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360033598 1064835914 /nfs/dbraw/zinc/83/59/14/1064835914.db2.gz FDOPBFKEEVJVHL-DMUCDLKOSA-N 0 3 488.721 4.824 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)COCc2ccccc2)CC1 ZINC001360033702 1064837228 /nfs/dbraw/zinc/83/72/28/1064837228.db2.gz IMKUBYSGLYXYOX-LGPLSSKUSA-N 0 3 497.728 4.828 20 0 JJADHN CCOc1c(Cl)cccc1CC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001435613807 1064876935 /nfs/dbraw/zinc/87/69/35/1064876935.db2.gz KKDOAMVJVUCOQG-NRFANRHFSA-N 0 3 452.986 4.872 20 0 JJADHN CCCO[C@H](C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616622 1064879107 /nfs/dbraw/zinc/87/91/07/1064879107.db2.gz FRLWMHGSOMUIEN-DHLKQENFSA-N 0 3 450.558 4.884 20 0 JJADHN CCCO[C@H](C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616625 1064879426 /nfs/dbraw/zinc/87/94/26/1064879426.db2.gz FRLWMHGSOMUIEN-RDGATRHJSA-N 0 3 450.558 4.884 20 0 JJADHN COc1ccc(SCCCC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001435616990 1064880053 /nfs/dbraw/zinc/88/00/53/1064880053.db2.gz MBGGVTJLDJMVOC-NRFANRHFSA-N 0 3 450.608 4.850 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1 ZINC001435889530 1065046692 /nfs/dbraw/zinc/04/66/92/1065046692.db2.gz OJQJSLMTYXHWSZ-UHFFFAOYSA-N 0 3 453.608 4.810 20 0 JJADHN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC001435890741 1065048116 /nfs/dbraw/zinc/04/81/16/1065048116.db2.gz RZQCAHDSGFLKOP-NDEPHWFRSA-N 0 3 457.618 4.734 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001360147807 1065050850 /nfs/dbraw/zinc/05/08/50/1065050850.db2.gz ILQDOZKCXCCVRD-UHFFFAOYSA-N 0 3 453.439 4.661 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001545894475 1065081848 /nfs/dbraw/zinc/08/18/48/1065081848.db2.gz XIOCGDCHJUILEV-LADGPHEKSA-N 0 3 468.690 4.680 20 0 JJADHN COc1cc(Cl)c(Br)cc1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001435996054 1065099492 /nfs/dbraw/zinc/09/94/92/1065099492.db2.gz XYGBLFYSBZOYMZ-IBGZPJMESA-N 0 3 453.808 4.998 20 0 JJADHN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360275057 1065115821 /nfs/dbraw/zinc/11/58/21/1065115821.db2.gz WXOCSFYCEJEYLZ-NRFANRHFSA-N 0 3 482.698 4.568 20 0 JJADHN C[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)N(C)Cc1ccccc1 ZINC001360281577 1065122206 /nfs/dbraw/zinc/12/22/06/1065122206.db2.gz GRBYYGMXRZPTLS-MRXNPFEDSA-N 0 3 457.405 4.918 20 0 JJADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360348007 1065195657 /nfs/dbraw/zinc/19/56/57/1065195657.db2.gz QVRSAKXXSBKHRX-XMMPIXPASA-N 0 3 496.121 4.640 20 0 JJADHN Cc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1NC(=O)c1cccs1 ZINC001360355180 1065204907 /nfs/dbraw/zinc/20/49/07/1065204907.db2.gz NIUFRCCTVHGCHE-UHFFFAOYSA-N 0 3 457.665 4.790 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001360355449 1065205349 /nfs/dbraw/zinc/20/53/49/1065205349.db2.gz WDCKKKUXYMEMCA-UHFFFAOYSA-N 0 3 453.530 4.842 20 0 JJADHN CCCN(C)[C@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197205 1065244833 /nfs/dbraw/zinc/24/48/33/1065244833.db2.gz DZCMTDYKJJGVHJ-HSZRJFAPSA-N 0 3 451.998 4.921 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198248 1065246134 /nfs/dbraw/zinc/24/61/34/1065246134.db2.gz VZKCSKQZUNKLNM-SFHVURJKSA-N 0 3 457.771 4.820 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200752 1065247219 /nfs/dbraw/zinc/24/72/19/1065247219.db2.gz FVDFHHYNWBXXHM-HBMCJLEFSA-N 0 3 452.039 4.923 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC001360387499 1065252009 /nfs/dbraw/zinc/25/20/09/1065252009.db2.gz IXRDGNMGKCNIAE-WOJBJXKFSA-N 0 3 451.464 4.521 20 0 JJADHN CSc1cccc(N(C(=O)c2nn(C(C)C)cc2Br)C2CCN(C)CC2)c1 ZINC001360408645 1065271965 /nfs/dbraw/zinc/27/19/65/1065271965.db2.gz PRLZDZKRNGQUQW-UHFFFAOYSA-N 0 3 451.434 4.689 20 0 JJADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411929 1065275111 /nfs/dbraw/zinc/27/51/11/1065275111.db2.gz JDBLPMQQXGAYOW-MRXNPFEDSA-N 0 3 457.290 4.742 20 0 JJADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)CCCc2nnc(-c3ccccc3)o2)CC1 ZINC001436255884 1065277025 /nfs/dbraw/zinc/27/70/25/1065277025.db2.gz UQILXSTZKYSKKJ-UHFFFAOYSA-N 0 3 454.958 4.824 20 0 JJADHN CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCOCC2)CC1 ZINC001360417661 1065282263 /nfs/dbraw/zinc/28/22/63/1065282263.db2.gz ZMIZOFXSJPVXBF-UHFFFAOYSA-N 0 3 484.497 4.695 20 0 JJADHN CC(=O)N[C@@H](CC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435751 1065318874 /nfs/dbraw/zinc/31/88/74/1065318874.db2.gz YYEIWUPWKHWJRD-RPWUZVMVSA-N 0 3 455.668 4.507 20 0 JJADHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)N(C)C ZINC001360448451 1065339319 /nfs/dbraw/zinc/33/93/19/1065339319.db2.gz RDIYZONPWIJSRP-RBBKRZOGSA-N 0 3 496.725 4.887 20 0 JJADHN CC(C)CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)C1CCN(C)CC1 ZINC001436589264 1065385967 /nfs/dbraw/zinc/38/59/67/1065385967.db2.gz PCJXRSQQCHYTPG-UHFFFAOYSA-N 0 3 459.660 4.714 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1C[C@H](C)N1CCC(C)CC1 ZINC001545903681 1065489148 /nfs/dbraw/zinc/48/91/48/1065489148.db2.gz GHOHKMSCWGZUDZ-DHLKQENFSA-N 0 3 480.701 4.967 20 0 JJADHN CCCCCCOc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001437368941 1065543645 /nfs/dbraw/zinc/54/36/45/1065543645.db2.gz BPXFWGJYGOKSGJ-RRPNLBNLSA-N 0 3 450.623 4.690 20 0 JJADHN CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001437376464 1065544927 /nfs/dbraw/zinc/54/49/27/1065544927.db2.gz KOKNVNRXCZJOTQ-FTJBHMTQSA-N 0 3 450.623 4.645 20 0 JJADHN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N(C)C1CC1 ZINC001360570992 1065565025 /nfs/dbraw/zinc/56/50/25/1065565025.db2.gz XVZNLBFDFIJBIU-QUCCMNQESA-N 0 3 455.622 4.588 20 0 JJADHN C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360581602 1065578995 /nfs/dbraw/zinc/57/89/95/1065578995.db2.gz FPUPGLYCEFZQSP-JOCHJYFZSA-N 0 3 498.716 4.629 20 0 JJADHN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001360681209 1065734918 /nfs/dbraw/zinc/73/49/18/1065734918.db2.gz ANVZRTUTIHXZRL-NRFANRHFSA-N 0 3 456.011 4.699 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001438988802 1065775058 /nfs/dbraw/zinc/77/50/58/1065775058.db2.gz YUKULMUEWDEGIC-UWJYYQICSA-N 0 3 450.549 4.679 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001360748972 1065790911 /nfs/dbraw/zinc/79/09/11/1065790911.db2.gz JFHNNSOMFNJKEX-WOJBJXKFSA-N 0 3 475.678 4.869 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001360748969 1065791155 /nfs/dbraw/zinc/79/11/55/1065791155.db2.gz JFHNNSOMFNJKEX-PMACEKPBSA-N 0 3 475.678 4.869 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCSc1ccccc1 ZINC001545920837 1065793931 /nfs/dbraw/zinc/79/39/31/1065793931.db2.gz 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IDJUFAWJXAXXPY-VWLOTQADSA-N 0 3 453.030 4.862 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H](C)Cc2cccs2)n1 ZINC001492753107 1066926236 /nfs/dbraw/zinc/92/62/36/1066926236.db2.gz MLTCDSQOPYUXHO-HXUWFJFHSA-N 0 3 483.730 4.638 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091577 1066971921 /nfs/dbraw/zinc/97/19/21/1066971921.db2.gz ANHPPPUINZGMDF-OAQYLSRUSA-N 0 3 453.384 4.582 20 0 JJADHN CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545724662 1066981619 /nfs/dbraw/zinc/98/16/19/1066981619.db2.gz VEJQKIUFKGJKPM-ZJSXRUAMSA-N 0 3 466.699 4.544 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731388 1066991268 /nfs/dbraw/zinc/99/12/68/1066991268.db2.gz NRRNIGFVHBRNTM-XMVJUMSVSA-N 0 3 453.675 4.680 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731968 1066992838 /nfs/dbraw/zinc/99/28/38/1066992838.db2.gz VSJSNBRKSCFLEJ-WMTXJRDZSA-N 0 3 461.658 4.636 20 0 JJADHN CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545745612 1067012551 /nfs/dbraw/zinc/01/25/51/1067012551.db2.gz DDYUXIGARRGOJL-ZCYQVOJMSA-N 0 3 466.718 4.720 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758359 1067037779 /nfs/dbraw/zinc/03/77/79/1067037779.db2.gz FJKAMDRSRJYIJP-XMMPIXPASA-N 0 3 498.716 4.855 20 0 JJADHN FC(F)(F)c1ccc(I)c(NC[C@@H]2CCCN2C2CCCCC2)n1 ZINC001458346997 1067037785 /nfs/dbraw/zinc/03/77/85/1067037785.db2.gz NCWLIVNBTZDGQI-ZDUSSCGKSA-N 0 3 453.290 4.914 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC001545758551 1067038074 /nfs/dbraw/zinc/03/80/74/1067038074.db2.gz IXEPADLYSSNTLL-ZEQRLZLVSA-N 0 3 453.675 4.947 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC3CC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758912 1067040577 /nfs/dbraw/zinc/04/05/77/1067040577.db2.gz PAXJXGFIAFKJOC-DEOSSOPVSA-N 0 3 496.700 4.609 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450127499 1067051756 /nfs/dbraw/zinc/05/17/56/1067051756.db2.gz KRMDACPAOOWYGQ-QFIPXVFZSA-N 0 3 455.624 4.739 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)N(C)C)cc1 ZINC001450132523 1067051937 /nfs/dbraw/zinc/05/19/37/1067051937.db2.gz PXHOMMIEISDSBY-WIYYLYMNSA-N 0 3 454.665 4.654 20 0 JJADHN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1ccccc1CN(C)C ZINC001450218428 1067060613 /nfs/dbraw/zinc/06/06/13/1067060613.db2.gz IQIRRDMKNSULPS-MRXNPFEDSA-N 0 3 450.364 4.950 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545774259 1067065559 /nfs/dbraw/zinc/06/55/59/1067065559.db2.gz JHBDJGLLKWQBLU-UHFFFAOYSA-N 0 3 488.677 4.851 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)N(C)C)cc1 ZINC001450538217 1067087489 /nfs/dbraw/zinc/08/74/89/1067087489.db2.gz CHIPULCZDPOTJJ-IBGZPJMESA-N 0 3 455.343 4.747 20 0 JJADHN CCC(CC)(Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001545795146 1067095616 /nfs/dbraw/zinc/09/56/16/1067095616.db2.gz ZQAWXGPCCWEYES-UHFFFAOYSA-N 0 3 475.703 4.705 20 0 JJADHN CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001458671110 1067105116 /nfs/dbraw/zinc/10/51/16/1067105116.db2.gz RZWSPCRLNAFAPB-QFIPXVFZSA-N 0 3 452.986 4.836 20 0 JJADHN CN(C)C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 ZINC001450704822 1067108116 /nfs/dbraw/zinc/10/81/16/1067108116.db2.gz OCQWRIFYJGAPBT-QHCPKHFHSA-N 0 3 459.521 4.786 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)N(C)C)cc1 ZINC001450776875 1067119060 /nfs/dbraw/zinc/11/90/60/1067119060.db2.gz BEDIWGXUMYTDDN-UBWSJTQOSA-N 0 3 459.590 4.668 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)N(C)C)cc1 ZINC001450776883 1067119874 /nfs/dbraw/zinc/11/98/74/1067119874.db2.gz BEDIWGXUMYTDDN-XJMDBVJMSA-N 0 3 459.590 4.668 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(I)c2)N(C)C)cc1 ZINC001450778472 1067119886 /nfs/dbraw/zinc/11/98/86/1067119886.db2.gz CYHKKJCDPROMAN-FQEVSTJZSA-N 0 3 450.364 4.522 20 0 JJADHN C[C@@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC001450789490 1067121104 /nfs/dbraw/zinc/12/11/04/1067121104.db2.gz JOBYHXMSEWGVQU-ZJSXRUAMSA-N 0 3 457.659 4.973 20 0 JJADHN C[C@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC001450796597 1067122507 /nfs/dbraw/zinc/12/25/07/1067122507.db2.gz OYKZQCYYPJEJMR-GAJHUEQPSA-N 0 3 452.549 4.976 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC1)N1CCOCC1 ZINC001545807202 1067124267 /nfs/dbraw/zinc/12/42/67/1067124267.db2.gz CUMYXINLOVDACR-XMMPIXPASA-N 0 3 453.675 4.980 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001545808204 1067132294 /nfs/dbraw/zinc/13/22/94/1067132294.db2.gz UQUZPBZSEOJWIP-SQJMNOBHSA-N 0 3 483.701 4.963 20 0 JJADHN Cc1cc(CN(C)C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC001545809051 1067135109 /nfs/dbraw/zinc/13/51/09/1067135109.db2.gz RRQMYHKIGIBQIO-QHCPKHFHSA-N 0 3 450.583 4.612 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)N1CCOCC1 ZINC001545809631 1067136257 /nfs/dbraw/zinc/13/62/57/1067136257.db2.gz HTPFHVZJWRYYJY-ZFGGDYGUSA-N 0 3 471.715 4.721 20 0 JJADHN COc1cc(CN(C)C)ccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC001451085177 1067145311 /nfs/dbraw/zinc/14/53/11/1067145311.db2.gz BZNDICFUKGATQX-UHFFFAOYSA-N 0 3 452.555 4.916 20 0 JJADHN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001451254695 1067156248 /nfs/dbraw/zinc/15/62/48/1067156248.db2.gz OGUPICGBQPOFOB-OFNKIYASSA-N 0 3 453.602 4.920 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1c1cccc(F)c1 ZINC001451392103 1067163743 /nfs/dbraw/zinc/16/37/43/1067163743.db2.gz OTKHDVYZRWIMIL-FCHUYYIVSA-N 0 3 466.557 4.563 20 0 JJADHN O=C(NCc1cccc(Br)c1Cl)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001451519126 1067175960 /nfs/dbraw/zinc/17/59/60/1067175960.db2.gz ALQLZLUHQPHWOF-MRXNPFEDSA-N 0 3 457.746 4.876 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545849484 1067203719 /nfs/dbraw/zinc/20/37/19/1067203719.db2.gz PEIMIEHFUQKROR-ZJSXRUAMSA-N 0 3 480.701 4.906 20 0 JJADHN CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)N2CCCCC2)C1 ZINC001546105192 1067212010 /nfs/dbraw/zinc/21/20/10/1067212010.db2.gz XXTKOAAPMYCDBH-NRFANRHFSA-N 0 3 487.714 4.630 20 0 JJADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976053 1067214772 /nfs/dbraw/zinc/21/47/72/1067214772.db2.gz WCNCXBVUSVHKGU-OAQYLSRUSA-N 0 3 458.480 4.986 20 0 JJADHN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001458975634 1067214909 /nfs/dbraw/zinc/21/49/09/1067214909.db2.gz TUKDRMPVRRSHEN-VWLOTQADSA-N 0 3 452.639 4.859 20 0 JJADHN O=C(CSc1cccc2cccc(Cl)c21)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001458977491 1067215848 /nfs/dbraw/zinc/21/58/48/1067215848.db2.gz YIYRRFFEMPLUPB-NRFANRHFSA-N 0 3 455.023 4.993 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)COc2cc(Br)ccc2Cl)CC1 ZINC001459001735 1067226192 /nfs/dbraw/zinc/22/61/92/1067226192.db2.gz RCUXARFTKKKVGX-UHFFFAOYSA-N 0 3 451.792 4.524 20 0 JJADHN CCC(C)(C)N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 ZINC001452662726 1067242451 /nfs/dbraw/zinc/24/24/51/1067242451.db2.gz XVECGQCHQGBHDR-UHFFFAOYSA-N 0 3 459.516 4.628 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)CCc3cc(Cl)ccc3Br)c2)CC1 ZINC001459285261 1067282621 /nfs/dbraw/zinc/28/26/21/1067282621.db2.gz KTNQTHMYKBXERN-UHFFFAOYSA-N 0 3 450.808 4.816 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)OCc3ccc(Cl)cc3Br)cc2)CC1 ZINC001459297774 1067285452 /nfs/dbraw/zinc/28/54/52/1067285452.db2.gz HMTULAWINDPWLZ-UHFFFAOYSA-N 0 3 451.792 4.990 20 0 JJADHN CN(C[C@H](O)CN(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349093 1067300832 /nfs/dbraw/zinc/30/08/32/1067300832.db2.gz KUKCPHOGCORVJA-HNNXBMFYSA-N 0 3 450.423 4.785 20 0 JJADHN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@H]3CCCCN3C3CCCC3)cc2)C1 ZINC001453394987 1067303053 /nfs/dbraw/zinc/30/30/53/1067303053.db2.gz GBLDHGUMHTWALG-PKTZIBPZSA-N 0 3 457.615 4.731 20 0 JJADHN C[C@@H]1CCC[C@H](N(CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392868 1067312233 /nfs/dbraw/zinc/31/22/33/1067312233.db2.gz LVPATRCIGNGRIF-PWHSHALESA-N 0 3 459.608 4.525 20 0 JJADHN Cc1c(NC(=O)Cc2csc(SCCN(C)C)n2)cccc1NC(=O)OC(C)(C)C ZINC001453547219 1067313369 /nfs/dbraw/zinc/31/33/69/1067313369.db2.gz XSDURAKUGHVFNN-UHFFFAOYSA-N 0 3 450.630 4.633 20 0 JJADHN CN(CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431889 1067324298 /nfs/dbraw/zinc/32/42/98/1067324298.db2.gz HQFNVFDNMPLGBI-JOCHJYFZSA-N 0 3 453.384 4.509 20 0 JJADHN CNS(=O)(=O)c1ccc(CN(C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)cc1 ZINC001459496209 1067339107 /nfs/dbraw/zinc/33/91/07/1067339107.db2.gz ZMTVHRLEYWPVLA-UHFFFAOYSA-N 0 3 452.620 4.731 20 0 JJADHN CC[C@@H]1CN(CCC(=O)Nc2cc(F)ccc2C)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001459508431 1067340960 /nfs/dbraw/zinc/34/09/60/1067340960.db2.gz BDNUZTDKUIYKTP-XZOQPEGZSA-N 0 3 455.574 4.974 20 0 JJADHN CN(CCN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526198 1067344825 /nfs/dbraw/zinc/34/48/25/1067344825.db2.gz XVRQQECLKLELCU-OAQYLSRUSA-N 0 3 455.400 4.692 20 0 JJADHN CCOc1ccc([C@H](C)NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664542 1067375811 /nfs/dbraw/zinc/37/58/11/1067375811.db2.gz AFQIBKRKXCLXPN-OYDLWJJNSA-N 0 3 454.611 4.639 20 0 JJADHN C[C@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706985 1067389880 /nfs/dbraw/zinc/38/98/80/1067389880.db2.gz HHLXEWQSFHTJOW-KOSHJBKYSA-N 0 3 452.549 4.592 20 0 JJADHN O=C(CNC1(c2ccc(Cl)cc2)CCCCC1)NCc1ccccc1CN1CCCC1=O ZINC001459713343 1067392366 /nfs/dbraw/zinc/39/23/66/1067392366.db2.gz IUUBSLIYELPOKW-UHFFFAOYSA-N 0 3 454.014 4.528 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@H](CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714282 1067392721 /nfs/dbraw/zinc/39/27/21/1067392721.db2.gz ADDMAIKLBZJECC-TZIWHRDSSA-N 0 3 455.599 4.664 20 0 JJADHN CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001459714860 1067393308 /nfs/dbraw/zinc/39/33/08/1067393308.db2.gz HJSVHJIXQOPPSX-OAQYLSRUSA-N 0 3 450.501 4.972 20 0 JJADHN CCOC(=O)Nc1ccc2c(CNC3(c4ccc(Cl)cc4)CCOCC3)cc(=O)oc2c1 ZINC001459734172 1067398950 /nfs/dbraw/zinc/39/89/50/1067398950.db2.gz LJAWCCLBWADCOI-UHFFFAOYSA-N 0 3 456.926 4.810 20 0 JJADHN CC(C)OCc1ccccc1CNC(=O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001459753829 1067407313 /nfs/dbraw/zinc/40/73/13/1067407313.db2.gz OCMPMHZVTVHKJV-UHFFFAOYSA-N 0 3 452.595 4.791 20 0 JJADHN CCc1c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cnn1-c1cccc(Cl)c1 ZINC001459790799 1067423998 /nfs/dbraw/zinc/42/39/98/1067423998.db2.gz JSIUMNAGZIVBTH-UHFFFAOYSA-N 0 3 452.002 4.871 20 0 JJADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001459830931 1067443658 /nfs/dbraw/zinc/44/36/58/1067443658.db2.gz NEVKMJCNJKRYIJ-XMMPIXPASA-N 0 3 453.602 4.622 20 0 JJADHN CC[C@H](C)[C@@H](NCc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847748 1067453121 /nfs/dbraw/zinc/45/31/21/1067453121.db2.gz BNPQWUCIRRBRLX-FDDCHVKYSA-N 0 3 458.444 4.830 20 0 JJADHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2cccn2)cc1 ZINC001459848184 1067453675 /nfs/dbraw/zinc/45/36/75/1067453675.db2.gz GKJYVAYXLMSTGP-MSOLQXFVSA-N 0 3 459.575 4.864 20 0 JJADHN CC(C)C[C@@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001459852101 1067457158 /nfs/dbraw/zinc/45/71/58/1067457158.db2.gz ALPRDJZWFBQCSZ-JOCHJYFZSA-N 0 3 451.508 4.870 20 0 JJADHN CCC[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 ZINC001459868021 1067465381 /nfs/dbraw/zinc/46/53/81/1067465381.db2.gz ZQMCBOWSGYNBAE-DEOSSOPVSA-N 0 3 457.640 4.709 20 0 JJADHN Cc1ccc(C)c([C@@H](C)NCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC001459887860 1067473652 /nfs/dbraw/zinc/47/36/52/1067473652.db2.gz CPHVRBZYMUBOTH-HXUWFJFHSA-N 0 3 457.640 4.546 20 0 JJADHN COC(=O)c1cccc(-c2nc(CN[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922385 1067492790 /nfs/dbraw/zinc/49/27/90/1067492790.db2.gz DXYKZSADEJPZTG-APWZRJJASA-N 0 3 459.612 4.722 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@@H](CC)[C@H]1CCCO1 ZINC001459925248 1067494323 /nfs/dbraw/zinc/49/43/23/1067494323.db2.gz REEKDLYWNOYFAZ-ZWKOTPCHSA-N 0 3 450.988 4.731 20 0 JJADHN O=C(CCN(CCO)Cc1cc(Br)cs1)Nc1cc(Cl)ccc1Cl ZINC001459931338 1067496531 /nfs/dbraw/zinc/49/65/31/1067496531.db2.gz MWQKAVJZWHBHFN-UHFFFAOYSA-N 0 3 452.201 4.641 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947888 1067503088 /nfs/dbraw/zinc/50/30/88/1067503088.db2.gz YOHPBGPOBGOQGU-URXFXBBRSA-N 0 3 456.030 4.899 20 0 JJADHN CC(C)[C@@](C)(NCC(=O)N[C@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949274 1067503891 /nfs/dbraw/zinc/50/38/91/1067503891.db2.gz KPNDQVIWWXXYLI-IVZQSRNASA-N 0 3 453.371 4.936 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999270 1067521102 /nfs/dbraw/zinc/52/11/02/1067521102.db2.gz UMEYLEXBWZHZET-NRFANRHFSA-N 0 3 457.416 4.669 20 0 JJADHN COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Br)c1OC ZINC001460020041 1067530635 /nfs/dbraw/zinc/53/06/35/1067530635.db2.gz IUNVLKWPPIJRJZ-MRXNPFEDSA-N 0 3 457.409 4.592 20 0 JJADHN CCN(C(=O)CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](C)c1ccc(F)cc1 ZINC001460073967 1067546329 /nfs/dbraw/zinc/54/63/29/1067546329.db2.gz VXBKLALPXRXTBP-SBUREZEXSA-N 0 3 452.492 4.745 20 0 JJADHN CCn1c2ccccc2c2cc(NC(=O)CN[C@H](C)[C@@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093387 1067552582 /nfs/dbraw/zinc/55/25/82/1067552582.db2.gz KLJZXSDMTLSDQR-AUSIDOKSSA-N 0 3 457.574 4.763 20 0 JJADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1 ZINC001460104166 1067555816 /nfs/dbraw/zinc/55/58/16/1067555816.db2.gz DJUJEBBOUUJMQA-VWNXMTODSA-N 0 3 474.605 4.806 20 0 JJADHN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197918 1067576830 /nfs/dbraw/zinc/57/68/30/1067576830.db2.gz ODFSZJXPZUCUTL-NRFANRHFSA-N 0 3 453.612 4.868 20 0 JJADHN COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198953 1067577260 /nfs/dbraw/zinc/57/72/60/1067577260.db2.gz RRBUKXRDZBTENG-UGKGYDQZSA-N 0 3 450.645 4.701 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)cc1 ZINC001460213171 1067580796 /nfs/dbraw/zinc/58/07/96/1067580796.db2.gz NBFMATRJHVENMQ-MHZLTWQESA-N 0 3 457.574 4.546 20 0 JJADHN Cc1ccc(NC(=O)CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC001460222240 1067583511 /nfs/dbraw/zinc/58/35/11/1067583511.db2.gz RETPULDOYPSQAA-WIOPSUGQSA-N 0 3 451.973 4.984 20 0 JJADHN Cc1ccc(Oc2ccccc2NC(=O)CNC2(CC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC001460277325 1067596030 /nfs/dbraw/zinc/59/60/30/1067596030.db2.gz NFNZTMJTFOTSRO-UHFFFAOYSA-N 0 3 454.567 4.596 20 0 JJADHN Cc1cccc(Oc2ccc(NC(=O)CNC3(CC(=O)OC(C)(C)C)CCOCC3)cc2)c1 ZINC001460276690 1067596093 /nfs/dbraw/zinc/59/60/93/1067596093.db2.gz LRXKCKPEXKBCSW-UHFFFAOYSA-N 0 3 454.567 4.596 20 0 JJADHN COC(=O)[C@@H]1CN([C@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277955 1067596208 /nfs/dbraw/zinc/59/62/08/1067596208.db2.gz OOYKOFYZOQBQEI-ZVDOUQERSA-N 0 3 450.323 4.993 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001460279466 1067596619 /nfs/dbraw/zinc/59/66/19/1067596619.db2.gz KQWUMTISYQROFJ-RTBURBONSA-N 0 3 461.404 4.832 20 0 JJADHN CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@@H](C)c3ccccc31)C(C)(C)NC(C)(C)C2 ZINC001460286568 1067598812 /nfs/dbraw/zinc/59/88/12/1067598812.db2.gz PKYRGCCNXXIBDS-OAHLLOKOSA-N 0 3 455.624 4.646 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305117 1067603394 /nfs/dbraw/zinc/60/33/94/1067603394.db2.gz NJGXNUUYBBOVFO-PMACEKPBSA-N 0 3 457.537 4.783 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327848 1067609506 /nfs/dbraw/zinc/60/95/06/1067609506.db2.gz YVWXQIXKLUKATP-DQEYMECFSA-N 0 3 451.630 4.844 20 0 JJADHN CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001460350481 1067614509 /nfs/dbraw/zinc/61/45/09/1067614509.db2.gz QWXKTGCHGRAJQU-VWLOTQADSA-N 0 3 459.590 4.553 20 0 JJADHN C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1CC(=O)NCCCOC1CCCCC1 ZINC001460367456 1067619398 /nfs/dbraw/zinc/61/93/98/1067619398.db2.gz BELKRTZEWIPPOC-HSZRJFAPSA-N 0 3 456.549 4.838 20 0 JJADHN CCOc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)nc1 ZINC001460387716 1067623705 /nfs/dbraw/zinc/62/37/05/1067623705.db2.gz BIBOEAAFJQEQLO-UNMCSNQZSA-N 0 3 459.562 4.511 20 0 JJADHN Cc1ccc(N2CC[C@@H](N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC001460392961 1067625337 /nfs/dbraw/zinc/62/53/37/1067625337.db2.gz UUOPTTRDKFYICC-WXFUMESZSA-N 0 3 467.585 4.622 20 0 JJADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)CNC1(c2ccc(Br)cc2)CCCCC1 ZINC001460406554 1067628895 /nfs/dbraw/zinc/62/88/95/1067628895.db2.gz CVRNCXKWHSQWOB-WIYYLYMNSA-N 0 3 451.449 4.910 20 0 JJADHN C[C@@H](NC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478696 1067641700 /nfs/dbraw/zinc/64/17/00/1067641700.db2.gz BJVBGRDQYOVQGG-RDTXWAMCSA-N 0 3 456.414 4.692 20 0 JJADHN CC(C)N(C)c1ccc(NC(=O)CCN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563054 1067656548 /nfs/dbraw/zinc/65/65/48/1067656548.db2.gz QXDPUOSJJCFPHU-JOCHJYFZSA-N 0 3 454.590 4.815 20 0 JJADHN CN(C)C[C@@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599031 1067666318 /nfs/dbraw/zinc/66/63/18/1067666318.db2.gz WTQULFHYPMIUHB-DNVCBOLYSA-N 0 3 452.209 4.932 20 0 JJADHN CCOC(=O)C1C(CN[C@@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600642 1067667131 /nfs/dbraw/zinc/66/71/31/1067667131.db2.gz FUWYTBJGFLCVKY-QPPBQGQZSA-N 0 3 459.949 4.565 20 0 JJADHN COc1cc(Br)ccc1CCCN1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662455 1067692581 /nfs/dbraw/zinc/69/25/81/1067692581.db2.gz UAUBGODNGNKDNI-RBUKOAKNSA-N 0 3 453.421 4.864 20 0 JJADHN CC(C)CN(C(=O)Cc1csc(-c2cc(Br)cs2)n1)C1CCN(C)CC1 ZINC001460664704 1067693037 /nfs/dbraw/zinc/69/30/37/1067693037.db2.gz MQQWKMWWCAGTBF-UHFFFAOYSA-N 0 3 456.475 4.755 20 0 JJADHN COc1ccccc1C[C@](C)(CO)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460696431 1067703729 /nfs/dbraw/zinc/70/37/29/1067703729.db2.gz MRAVDPXLWYJEBP-RUZDIDTESA-N 0 3 454.954 4.663 20 0 JJADHN Cc1occ(C(F)(F)F)c1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703942 1067705209 /nfs/dbraw/zinc/70/52/09/1067705209.db2.gz FALKMHMSRWUJQL-UHFFFAOYSA-N 0 3 455.908 4.687 20 0 JJADHN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708708 1067705990 /nfs/dbraw/zinc/70/59/90/1067705990.db2.gz NOQWQFMXOANLTH-VWLOTQADSA-N 0 3 456.030 4.619 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC001460713008 1067706923 /nfs/dbraw/zinc/70/69/23/1067706923.db2.gz ZISLAPAZQYFEFZ-REWPJTCUSA-N 0 3 457.640 4.723 20 0 JJADHN CCN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC001460738868 1067712553 /nfs/dbraw/zinc/71/25/53/1067712553.db2.gz RXMLDFZMOHPBDX-FQEVSTJZSA-N 0 3 454.394 4.900 20 0 JJADHN CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763697 1067719417 /nfs/dbraw/zinc/71/94/17/1067719417.db2.gz KIUBGKOJAQBBCP-IZZNHLLZSA-N 0 3 459.565 4.818 20 0 JJADHN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(CCN(C)C)Cc3ccsc3)cc12 ZINC001460769530 1067720272 /nfs/dbraw/zinc/72/02/72/1067720272.db2.gz CMTGNWBWKMHCBJ-UHFFFAOYSA-N 0 3 456.612 4.859 20 0 JJADHN C[C@@H]1CN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774211 1067721017 /nfs/dbraw/zinc/72/10/17/1067721017.db2.gz HMEAUKAZUZZMIY-UZKOGDIHSA-N 0 3 463.638 4.902 20 0 JJADHN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CCS1 ZINC001546119961 1067743688 /nfs/dbraw/zinc/74/36/88/1067743688.db2.gz WSGFLELDPGLGEC-UHFFFAOYSA-N 0 3 464.683 4.508 20 0 JJADHN CCCCCCc1ccc(-c2csc(NC(=O)CN[C@H]3CCOC34CCOCC4)n2)cc1 ZINC001460915614 1067747276 /nfs/dbraw/zinc/74/72/76/1067747276.db2.gz JDZZJDGDKBKPBP-QFIPXVFZSA-N 0 3 457.640 4.799 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@]12CN(CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969506 1067754771 /nfs/dbraw/zinc/75/47/71/1067754771.db2.gz CYWXAMMFCIAHPN-JTSKRJEESA-N 0 3 453.421 4.845 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@]2(NCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CCC[C@@H]12 ZINC001460984800 1067757262 /nfs/dbraw/zinc/75/72/62/1067757262.db2.gz FBOPMBZGAIRGOT-UZLBHIALSA-N 0 3 461.912 4.819 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H](CN3CCCC3)c3ccccc3)o2)C1 ZINC001460993015 1067759428 /nfs/dbraw/zinc/75/94/28/1067759428.db2.gz QNSLCDDUTWEGRS-VWNXMTODSA-N 0 3 453.627 4.764 20 0 JJADHN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@H](c1ccccc1)N1CCOCC1 ZINC001461018394 1067762877 /nfs/dbraw/zinc/76/28/77/1067762877.db2.gz FGXJSPTUJCRMLV-XMMPIXPASA-N 0 3 453.030 4.871 20 0 JJADHN Brc1ccc(OCc2ccccc2)c(CNCCOc2ccc3c(c2)OCO3)c1 ZINC001461088559 1067779428 /nfs/dbraw/zinc/77/94/28/1067779428.db2.gz KWYFRSSRVCYBHX-UHFFFAOYSA-N 0 3 456.336 4.925 20 0 JJADHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC001461093420 1067780666 /nfs/dbraw/zinc/78/06/66/1067780666.db2.gz RLURKVMCIOVMLI-HUUCEWRRSA-N 0 3 451.792 4.642 20 0 JJADHN CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001461117685 1067784938 /nfs/dbraw/zinc/78/49/38/1067784938.db2.gz YBVSXQUUFHNKCV-HSZRJFAPSA-N 0 3 452.595 4.532 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CNC[C@H](O)c1ccccc1C(F)(F)F ZINC001461123134 1067785786 /nfs/dbraw/zinc/78/57/86/1067785786.db2.gz YFTDETMBRPLDNW-IBGZPJMESA-N 0 3 454.290 4.785 20 0 JJADHN C[C@@]1(c2ccc(CNCc3ccccc3Oc3ccc(F)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001461133542 1067787362 /nfs/dbraw/zinc/78/73/62/1067787362.db2.gz LVRNHUBDDQPELP-DEOSSOPVSA-N 0 3 453.901 4.616 20 0 JJADHN C[C@H](NC/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151351 1067790019 /nfs/dbraw/zinc/79/00/19/1067790019.db2.gz UQUWHAFVPWEJNO-OMCJBDSBSA-N 0 3 450.604 4.880 20 0 JJADHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177012 1067792963 /nfs/dbraw/zinc/79/29/63/1067792963.db2.gz GETHVIGNPPXCPU-SFHVURJKSA-N 0 3 457.594 4.560 20 0 JJADHN COc1ccc(S(=O)(=O)[N-]c2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)cc1 ZINC001461209034 1067799929 /nfs/dbraw/zinc/79/99/29/1067799929.db2.gz PGDFXCATZAGUNW-RBBKRZOGSA-N 0 3 451.592 4.707 20 0 JJADHN COc1cc(CNc2ccccc2CN2CCC(O)CC2)ccc1OCc1ccc(F)cc1 ZINC001461225575 1067803776 /nfs/dbraw/zinc/80/37/76/1067803776.db2.gz RVKIUCNTPXKKOQ-UHFFFAOYSA-N 0 3 450.554 4.982 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc(CNC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001461264896 1067813850 /nfs/dbraw/zinc/81/38/50/1067813850.db2.gz RQCRDTJLVXGACI-OAQYLSRUSA-N 0 3 458.908 4.904 20 0 JJADHN C[C@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CCN(Cc2ccccc2)C1 ZINC001461270961 1067814991 /nfs/dbraw/zinc/81/49/91/1067814991.db2.gz GPHBHEJGUIRFTG-IBGZPJMESA-N 0 3 457.290 4.742 20 0 JJADHN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272363 1067815826 /nfs/dbraw/zinc/81/58/26/1067815826.db2.gz MKEATNJPWMTPER-LITSAYRRSA-N 0 3 455.602 4.637 20 0 JJADHN Cc1nn(-c2ccccc2F)cc1CN[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001461306124 1067824103 /nfs/dbraw/zinc/82/41/03/1067824103.db2.gz FGUPQMDNLJJTJM-MRXNPFEDSA-N 0 3 453.871 4.756 20 0 JJADHN O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001461337078 1067832267 /nfs/dbraw/zinc/83/22/67/1067832267.db2.gz YURMGNBNAFXUSZ-OALUTQOASA-N 0 3 453.435 4.880 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)C3(Sc4ccccc4)CCCC3)cc2)CC1 ZINC001461343537 1067834727 /nfs/dbraw/zinc/83/47/27/1067834727.db2.gz HNQXJFQSOCVYPO-UHFFFAOYSA-N 0 3 453.652 4.747 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001461348108 1067835804 /nfs/dbraw/zinc/83/58/04/1067835804.db2.gz ZPGVBAISMWCJPX-UHFFFAOYSA-N 0 3 459.581 4.731 20 0 JJADHN CCc1oc2ccccc2c1CNC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001461454575 1067860666 /nfs/dbraw/zinc/86/06/66/1067860666.db2.gz GXOYQMPUZCXWBQ-HXUWFJFHSA-N 0 3 455.521 4.568 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@H](CNCc2cccc(C3CCCC3)c2)C(F)(F)F)CC1 ZINC001461468457 1067864955 /nfs/dbraw/zinc/86/49/55/1067864955.db2.gz YTJYIFBLLXTUMY-OAQYLSRUSA-N 0 3 455.565 4.917 20 0 JJADHN CCc1ccc(-c2nn(-c3ccccc3C)cc2CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC001461489216 1067873560 /nfs/dbraw/zinc/87/35/60/1067873560.db2.gz WPCSVQWVIGOVPZ-UHFFFAOYSA-N 0 3 451.636 4.857 20 0 JJADHN CCOc1cc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1OCC(F)(F)F ZINC001461538765 1067884169 /nfs/dbraw/zinc/88/41/69/1067884169.db2.gz RIMLOINGUUSSIL-MRXNPFEDSA-N 0 3 451.489 4.797 20 0 JJADHN Cc1nc(N2CCCCC2)sc1CNCc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC001461541745 1067884669 /nfs/dbraw/zinc/88/46/69/1067884669.db2.gz JEWDAJHUYXTTFX-UHFFFAOYSA-N 0 3 451.518 4.886 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCCCn1cc(Br)cn1 ZINC001461543235 1067885087 /nfs/dbraw/zinc/88/50/87/1067885087.db2.gz NWLYJVAPBZGVJG-UHFFFAOYSA-N 0 3 457.203 4.686 20 0 JJADHN CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@H]1CCCN(C)C1 ZINC001461564069 1067889419 /nfs/dbraw/zinc/88/94/19/1067889419.db2.gz JPRRPKUWDIUEJH-INIZCTEOSA-N 0 3 452.343 4.506 20 0 JJADHN CCCCOc1c(Cl)cc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1OCC ZINC001461634189 1067906454 /nfs/dbraw/zinc/90/64/54/1067906454.db2.gz OIIJJMCEEGWKIR-IBGZPJMESA-N 0 3 453.023 4.633 20 0 JJADHN CCOc1ccc([C@@H]2C[C@H]2NCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)cc1 ZINC001461645302 1067908443 /nfs/dbraw/zinc/90/84/43/1067908443.db2.gz BXFUMSGPEKAXLB-JTHBVZDNSA-N 0 3 465.421 4.749 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648091 1067909315 /nfs/dbraw/zinc/90/93/15/1067909315.db2.gz UBYIRTQTTWVCQP-QFIPXVFZSA-N 0 3 459.421 4.850 20 0 JJADHN CCC1(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(C(C)(C)C)CC2)CCOCC1 ZINC001546126115 1067914297 /nfs/dbraw/zinc/91/42/97/1067914297.db2.gz RBFRJPNAHAVMRK-HXUWFJFHSA-N 0 3 473.637 4.685 20 0 JJADHN CC(C)Oc1ccc(CNCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001461751794 1067930644 /nfs/dbraw/zinc/93/06/44/1067930644.db2.gz JDCXOOJQBZAHDH-UHFFFAOYSA-N 0 3 453.627 4.816 20 0 JJADHN Brc1cnc2n1C[C@@H](NCc1ccc(-c3cccc(Br)c3)o1)CC2 ZINC001461820490 1067941672 /nfs/dbraw/zinc/94/16/72/1067941672.db2.gz VYPXQNPRVRMAIJ-AWEZNQCLSA-N 0 3 451.162 4.773 20 0 JJADHN COc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1[O-] ZINC001461821871 1067942002 /nfs/dbraw/zinc/94/20/02/1067942002.db2.gz XULPTINRWKLCNE-HNNXBMFYSA-N 0 3 457.409 4.680 20 0 JJADHN COC1CCC(CN2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 ZINC001461953705 1067968266 /nfs/dbraw/zinc/96/82/66/1067968266.db2.gz JBTNGSCABIOXPP-VXESANQCSA-N 0 3 452.521 4.639 20 0 JJADHN COC(=O)c1ccc(CN(C)CCOc2ccc(Br)cc2)cc1Br ZINC001462003861 1067978641 /nfs/dbraw/zinc/97/86/41/1067978641.db2.gz YXBQNQKZYQURHU-UHFFFAOYSA-N 0 3 457.162 4.509 20 0 JJADHN FC(F)(F)c1ccn([C@H]2CCCN(Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079343 1067997576 /nfs/dbraw/zinc/99/75/76/1067997576.db2.gz FGDVBQHEJSCPDM-INIZCTEOSA-N 0 3 454.294 4.892 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CC(N[C@H](CCO)c3ccccc3Br)C2)CC1 ZINC001462084071 1067998391 /nfs/dbraw/zinc/99/83/91/1067998391.db2.gz KHEXHKDWJCIKFY-LJQANCHMSA-N 0 3 453.421 4.642 20 0 JJADHN CCOc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Br)c1[O-] ZINC001462090095 1067999599 /nfs/dbraw/zinc/99/95/99/1067999599.db2.gz VWMKTUFEUHYLQA-UNMCSNQZSA-N 0 3 452.364 4.556 20 0 JJADHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120286 1068008861 /nfs/dbraw/zinc/00/88/61/1068008861.db2.gz UMOPWFDCEDJJHH-IBGZPJMESA-N 0 3 456.222 4.957 20 0 JJADHN C[C@H](COc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153809 1068017686 /nfs/dbraw/zinc/01/76/86/1068017686.db2.gz DJJOTCSNXYCLIE-KZULUSFZSA-N 0 3 458.183 4.918 20 0 JJADHN Brc1cccc(OCCN(Cc2cccc3c2OCO3)C[C@@H]2CCCS2)c1 ZINC001462169980 1068021075 /nfs/dbraw/zinc/02/10/75/1068021075.db2.gz LBAGSHAOBQNXLE-IBGZPJMESA-N 0 3 450.398 4.954 20 0 JJADHN COCCc1ccc(OC[C@H](C)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189738 1068025637 /nfs/dbraw/zinc/02/56/37/1068025637.db2.gz PWENTTPYMLZCKU-KKSFZXQISA-N 0 3 451.394 4.735 20 0 JJADHN COC(=O)c1ccc(CN[C@H](C)Cc2ccc(F)cc2Br)c(Br)c1 ZINC001462200950 1068028195 /nfs/dbraw/zinc/02/81/95/1068028195.db2.gz SFTVYUPGQXQBKW-LLVKDONJSA-N 0 3 459.153 4.858 20 0 JJADHN CCOC(=O)c1cnn(C2CCN(Cc3ccccc3OCc3ccc(F)cc3F)CC2)c1 ZINC001462249074 1068037971 /nfs/dbraw/zinc/03/79/71/1068037971.db2.gz KEGNGBAEKJSKKR-UHFFFAOYSA-N 0 3 455.505 4.754 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410554 1068067943 /nfs/dbraw/zinc/06/79/43/1068067943.db2.gz ZVTFQUVYSPDMRK-MBOZVWFJSA-N 0 3 458.521 4.711 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC001462409588 1068068097 /nfs/dbraw/zinc/06/80/97/1068068097.db2.gz VKDUKHSYTRQZGT-SXLOBPIMSA-N 0 3 453.421 4.733 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC001462409585 1068068380 /nfs/dbraw/zinc/06/83/80/1068068380.db2.gz VKDUKHSYTRQZGT-RLLQIKCJSA-N 0 3 453.421 4.733 20 0 JJADHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC001462418562 1068070529 /nfs/dbraw/zinc/07/05/29/1068070529.db2.gz OMAGURRWIBENQP-UHFFFAOYSA-N 0 3 458.817 4.891 20 0 JJADHN Clc1cc(Cl)c(OCCN2CCOCC2)c(CN2CCC3(CCSCC3)CC2)c1 ZINC001462483981 1068083152 /nfs/dbraw/zinc/08/31/52/1068083152.db2.gz KRIDVFCJAFNPSB-UHFFFAOYSA-N 0 3 459.483 4.814 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538675 1068093989 /nfs/dbraw/zinc/09/39/89/1068093989.db2.gz ZBLIVUITMOUREA-CLOONOSVSA-N 0 3 457.640 4.961 20 0 JJADHN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630220 1068117490 /nfs/dbraw/zinc/11/74/90/1068117490.db2.gz RETPZUIKPXVSII-CYBMUJFWSA-N 0 3 455.422 4.637 20 0 JJADHN Cc1c(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001462727053 1068144770 /nfs/dbraw/zinc/14/47/70/1068144770.db2.gz CFSRHWVPSVMHTA-UHFFFAOYSA-N 0 3 455.843 4.701 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1C(F)(F)F ZINC001462732634 1068147280 /nfs/dbraw/zinc/14/72/80/1068147280.db2.gz ZBVZMDCNMHDXSX-UHFFFAOYSA-N 0 3 457.378 4.619 20 0 JJADHN C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003790 1068246425 /nfs/dbraw/zinc/24/64/25/1068246425.db2.gz VRSVOLLEQRQZCG-IVZQSRNASA-N 0 3 452.904 4.907 20 0 JJADHN C[C@H](NC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccccc1 ZINC001463019101 1068253735 /nfs/dbraw/zinc/25/37/35/1068253735.db2.gz HROIBYPJTLHEGM-ZDUSSCGKSA-N 0 3 450.910 4.646 20 0 JJADHN CCC(CC)(CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)SC ZINC001463201488 1068318720 /nfs/dbraw/zinc/31/87/20/1068318720.db2.gz CSUVOAXNUUMWSE-BJKOFHAPSA-N 0 3 460.709 4.804 20 0 JJADHN Cc1cc(S(=O)(=O)[N-]Cc2ccccc2OCCC[N@@H+](C)C2CCCC2)sc1Cl ZINC001463218738 1068324238 /nfs/dbraw/zinc/32/42/38/1068324238.db2.gz JNXQHIKKVWVSGB-UHFFFAOYSA-N 0 3 457.061 4.832 20 0 JJADHN Cc1cc(S(=O)(=O)[N-]Cc2ccccc2OCCC[N@H+](C)C2CCCC2)sc1Cl ZINC001463218738 1068324251 /nfs/dbraw/zinc/32/42/51/1068324251.db2.gz JNXQHIKKVWVSGB-UHFFFAOYSA-N 0 3 457.061 4.832 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)N2CCCC2)cc1 ZINC001463562921 1068444987 /nfs/dbraw/zinc/44/49/87/1068444987.db2.gz IOFWTHAGJWFCLE-FIXSFTCYSA-N 0 3 457.412 4.689 20 0 JJADHN CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)C2=O)cc1 ZINC001463573390 1068451712 /nfs/dbraw/zinc/45/17/12/1068451712.db2.gz OAFCEYJKQBEQPN-PKTZIBPZSA-N 0 3 453.652 4.814 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)CC1 ZINC001463706193 1068501024 /nfs/dbraw/zinc/50/10/24/1068501024.db2.gz JDKFTMMSLFMZTE-OAQYLSRUSA-N 0 3 458.647 4.503 20 0 JJADHN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001463766969 1068517680 /nfs/dbraw/zinc/51/76/80/1068517680.db2.gz VNRUTNFCLPEMMU-FQEVSTJZSA-N 0 3 454.368 4.979 20 0 JJADHN Cc1cccc(CN(C)S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1C ZINC001463770084 1068518928 /nfs/dbraw/zinc/51/89/28/1068518928.db2.gz ZGUFYMPKQVCKMW-RRPNLBNLSA-N 0 3 466.622 4.872 20 0 JJADHN CCOC1(C)CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001463794093 1068526327 /nfs/dbraw/zinc/52/63/27/1068526327.db2.gz UHHLHTHWBJDMMO-BJKOFHAPSA-N 0 3 477.070 4.529 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)Cc1ccccc1 ZINC001463837275 1068542394 /nfs/dbraw/zinc/54/23/94/1068542394.db2.gz RGKGSUQXUGWHJW-NRFANRHFSA-N 0 3 450.529 4.879 20 0 JJADHN CC[C@@H](CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894152 1068557719 /nfs/dbraw/zinc/55/77/19/1068557719.db2.gz NBGGDZATVJBXOR-WTIAFYNJSA-N 0 3 468.585 4.861 20 0 JJADHN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC001463990015 1068582440 /nfs/dbraw/zinc/58/24/40/1068582440.db2.gz FOSLQKGKTMOQNC-UHFFFAOYSA-N 0 3 452.864 4.674 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001464097855 1068613900 /nfs/dbraw/zinc/61/39/00/1068613900.db2.gz CWDWBJUCULQFKB-JOCHJYFZSA-N 0 3 451.508 4.743 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001464103890 1068616891 /nfs/dbraw/zinc/61/68/91/1068616891.db2.gz SPNPKDJJYKBMSY-HXUWFJFHSA-N 0 3 458.444 4.580 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001464118421 1068621205 /nfs/dbraw/zinc/62/12/05/1068621205.db2.gz CKVPPLGXUMYRBD-FGZHOGPDSA-N 0 3 451.577 4.940 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)cc2)CC1 ZINC001464134731 1068629493 /nfs/dbraw/zinc/62/94/93/1068629493.db2.gz ZWPLGNGCEYFFIA-UHFFFAOYSA-N 0 3 458.393 4.569 20 0 JJADHN CC(C)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166839 1068640912 /nfs/dbraw/zinc/64/09/12/1068640912.db2.gz ZSJMKQJKDIQIQD-IBGZPJMESA-N 0 3 451.355 4.958 20 0 JJADHN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243612 1068673379 /nfs/dbraw/zinc/67/33/79/1068673379.db2.gz XRTHGQVMOBBMBC-OAQYLSRUSA-N 0 3 452.505 4.508 20 0 JJADHN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)C1C[C@H](c2ccccc2)OC1=O ZINC001464304701 1068699114 /nfs/dbraw/zinc/69/91/14/1068699114.db2.gz ZLRHSISZGFSJPO-ZWKOTPCHSA-N 0 3 457.349 4.739 20 0 JJADHN Cc1nc(NC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464322113 1068705205 /nfs/dbraw/zinc/70/52/05/1068705205.db2.gz XHVLOHAWACZZJC-XMMPIXPASA-N 0 3 456.011 4.661 20 0 JJADHN CC1CCN([C@@H](CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC001464403288 1068734004 /nfs/dbraw/zinc/73/40/04/1068734004.db2.gz RSSHNVTXVFEEMJ-QFIPXVFZSA-N 0 3 454.521 4.881 20 0 JJADHN CSc1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)n1-c1ccc(F)cc1 ZINC001464405776 1068735146 /nfs/dbraw/zinc/73/51/46/1068735146.db2.gz ZXMYRDFCRMORAN-QFIPXVFZSA-N 0 3 452.599 4.936 20 0 JJADHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464472773 1068759361 /nfs/dbraw/zinc/75/93/61/1068759361.db2.gz OLUJNFLBVKUYSP-QUCCMNQESA-N 0 3 455.027 4.878 20 0 JJADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1nccnc1SCc1ccccc1 ZINC001464567770 1068784524 /nfs/dbraw/zinc/78/45/24/1068784524.db2.gz XIGNTYDWPXBKHG-UHFFFAOYSA-N 0 3 450.633 4.613 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)N2CCCC2)cc1 ZINC001464588785 1068792711 /nfs/dbraw/zinc/79/27/11/1068792711.db2.gz TVZXJEPQODMDJG-OAQYLSRUSA-N 0 3 453.384 4.510 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCCN(C)C(=O)OC(C)(C)C ZINC001464635775 1068806202 /nfs/dbraw/zinc/80/62/02/1068806202.db2.gz IBLCHDWUERKMAW-UHFFFAOYSA-N 0 3 459.553 4.633 20 0 JJADHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(Br)cc3)[nH]n2)cc1C ZINC001464636981 1068806973 /nfs/dbraw/zinc/80/69/73/1068806973.db2.gz LAYDVTUFAFBHIE-UHFFFAOYSA-N 0 3 455.400 4.660 20 0 JJADHN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N(CCN(C)C)Cc3cccc(F)c3)c2)n1 ZINC001464643800 1068809202 /nfs/dbraw/zinc/80/92/02/1068809202.db2.gz SZIAXHXJTZTJDY-UHFFFAOYSA-N 0 3 455.965 4.834 20 0 JJADHN O=C(c1cc(OC(F)F)cc(OC(F)F)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC001464662162 1068816209 /nfs/dbraw/zinc/81/62/09/1068816209.db2.gz CBHZYFSBVLQZRY-UHFFFAOYSA-N 0 3 454.464 4.670 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667844 1068817804 /nfs/dbraw/zinc/81/78/04/1068817804.db2.gz OPXTUHLOKPPYOV-DEOSSOPVSA-N 0 3 457.659 4.627 20 0 JJADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCC3(c4ccc(Cl)cc4)CCCCC3)cc21 ZINC001464690658 1068826167 /nfs/dbraw/zinc/82/61/67/1068826167.db2.gz XFSGKPVGXMZGND-UHFFFAOYSA-N 0 3 455.002 4.589 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629869 719102082 /nfs/dbraw/zinc/10/20/82/719102082.db2.gz TZAOTUQRXUFJQE-QUCCMNQESA-N 0 3 455.940 4.838 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)c2c1CCNC2 ZINC001164679593 719645833 /nfs/dbraw/zinc/64/58/33/719645833.db2.gz IINYROSJJBIQQR-UHFFFAOYSA-N 0 3 463.935 4.821 20 0 JJADHN Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730998 720384417 /nfs/dbraw/zinc/38/44/17/720384417.db2.gz XSHDXGOUZCBFCT-XZOQPEGZSA-N 0 3 489.574 4.909 20 0 JJADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730893 720409359 /nfs/dbraw/zinc/40/93/59/720409359.db2.gz JNSBFXXWLAAXPI-VXKWHMMOSA-N 0 3 480.971 4.966 20 0 JJADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731520 720439539 /nfs/dbraw/zinc/43/95/39/720439539.db2.gz LKWVYERWTGUIKD-GOTSBHOMSA-N 0 3 488.705 4.804 20 0 JJADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731522 720440471 /nfs/dbraw/zinc/44/04/71/720440471.db2.gz LKWVYERWTGUIKD-XZOQPEGZSA-N 0 3 488.705 4.804 20 0 JJADHN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164730962 720442876 /nfs/dbraw/zinc/44/28/76/720442876.db2.gz KLGSXVRMXCUUMW-YADHBBJMSA-N 0 3 499.640 4.625 20 0 JJADHN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837883 720736119 /nfs/dbraw/zinc/73/61/19/720736119.db2.gz NMTYHCSVTPYNTD-UHFFFAOYSA-N 0 3 467.351 4.730 20 0 JJADHN Clc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741747 720786377 /nfs/dbraw/zinc/78/63/77/720786377.db2.gz MWPVRWITQKHGKF-ZWKOTPCHSA-N 0 3 493.398 4.736 20 0 JJADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857146 721002872 /nfs/dbraw/zinc/00/28/72/721002872.db2.gz CNCAYEOCAGGRBL-NRFANRHFSA-N 0 3 457.626 4.714 20 0 JJADHN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865428 721090026 /nfs/dbraw/zinc/09/00/26/721090026.db2.gz LHAVSQPDGDGGOR-LOSJGSFVSA-N 0 3 499.018 4.734 20 0 JJADHN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865426 721090044 /nfs/dbraw/zinc/09/00/44/721090044.db2.gz LHAVSQPDGDGGOR-DQEYMECFSA-N 0 3 499.018 4.734 20 0 JJADHN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865427 721090817 /nfs/dbraw/zinc/09/08/17/721090817.db2.gz LHAVSQPDGDGGOR-JWQCQUIFSA-N 0 3 499.018 4.734 20 0 JJADHN c1ccc(Oc2ccc(-c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881094 721172200 /nfs/dbraw/zinc/17/22/00/721172200.db2.gz ZAAVGBHCQKQJOO-SQHAQQRYSA-N 0 3 479.584 4.811 20 0 JJADHN COc1ccc2c(c1)nc(N1C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164767569 721200259 /nfs/dbraw/zinc/20/02/59/721200259.db2.gz JZUHTFUJIYZFBZ-PKTZIBPZSA-N 0 3 453.590 4.602 20 0 JJADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786021 721368638 /nfs/dbraw/zinc/36/86/38/721368638.db2.gz UMCJUOOZCCMZSY-MUUNZHRXSA-N 0 3 475.637 4.559 20 0 JJADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CCN3C2)c1 ZINC001164911932 721547401 /nfs/dbraw/zinc/54/74/01/721547401.db2.gz XORSCQCUODHQEA-AHWVRZQESA-N 0 3 475.564 4.665 20 0 JJADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CCN3C2)c1 ZINC001164906583 721553308 /nfs/dbraw/zinc/55/33/08/721553308.db2.gz KDFXYNJRRHPSJX-IEBWSBKVSA-N 0 3 458.896 4.542 20 0 JJADHN CCOc1cc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908132 721705252 /nfs/dbraw/zinc/70/52/52/721705252.db2.gz VWQXHTYAVYYGKS-RUZDIDTESA-N 0 3 483.563 4.560 20 0 JJADHN Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909765 721725805 /nfs/dbraw/zinc/72/58/05/721725805.db2.gz DMSVPDHVRZBXHP-RUZDIDTESA-N 0 3 476.531 4.726 20 0 JJADHN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984710 722106571 /nfs/dbraw/zinc/10/65/71/722106571.db2.gz UDGMJYSBFYJBHA-JXFKEZNVSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971021 722111841 /nfs/dbraw/zinc/11/18/41/722111841.db2.gz BBZIBHHGUCJEMW-DENIHFKCSA-N 0 3 458.940 4.555 20 0 JJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975172 722130059 /nfs/dbraw/zinc/13/00/59/722130059.db2.gz FGAAFGPKTTZEDL-UTKZUKDTSA-N 0 3 473.404 4.673 20 0 JJADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973416 722137937 /nfs/dbraw/zinc/13/79/37/722137937.db2.gz CDQAKWSADZUXQM-PBHICJAKSA-N 0 3 477.770 4.709 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980270 722140475 /nfs/dbraw/zinc/14/04/75/722140475.db2.gz MJLXAUFQQAJQHH-QFQXNSOFSA-N 0 3 487.554 4.697 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980271 722140842 /nfs/dbraw/zinc/14/08/42/722140842.db2.gz MJLXAUFQQAJQHH-RLWLMLJZSA-N 0 3 487.554 4.697 20 0 JJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980267 722141876 /nfs/dbraw/zinc/14/18/76/722141876.db2.gz MITYTUGLKATBKA-NVQXNPDNSA-N 0 3 469.564 4.558 20 0 JJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984256 722145920 /nfs/dbraw/zinc/14/59/20/722145920.db2.gz XATMAUYURSOCBL-URXFXBBRSA-N 0 3 471.630 4.789 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978116 722147817 /nfs/dbraw/zinc/14/78/17/722147817.db2.gz JZJLZSSKCGMBHN-XRKRLSELSA-N 0 3 477.612 4.933 20 0 JJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980915 722149068 /nfs/dbraw/zinc/14/90/68/722149068.db2.gz NTQXWRVMVLDZLT-QPPBQGQZSA-N 0 3 464.013 4.536 20 0 JJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972147 722152454 /nfs/dbraw/zinc/15/24/54/722152454.db2.gz GAPOIMGERAVSBL-GHTZIAJQSA-N 0 3 488.394 4.712 20 0 JJADHN Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977145 722154777 /nfs/dbraw/zinc/15/47/77/722154777.db2.gz XOJLNBVONLENNE-PGRDOPGGSA-N 0 3 486.403 4.698 20 0 JJADHN CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973003 722155658 /nfs/dbraw/zinc/15/56/58/722155658.db2.gz JRXNCSQAYWFLEC-QPPBQGQZSA-N 0 3 480.012 4.607 20 0 JJADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971574 722158828 /nfs/dbraw/zinc/15/88/28/722158828.db2.gz BSTRDMCODGEIMK-XXBNENTESA-N 0 3 476.999 4.671 20 0 JJADHN CC(C)CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001359763166 1064378298 /nfs/dbraw/zinc/37/82/98/1064378298.db2.gz GMNZLCXYLGYOSS-UHFFFAOYSA-N 0 3 468.690 4.993 20 0 JJADHN CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001434974651 1064389571 /nfs/dbraw/zinc/38/95/71/1064389571.db2.gz GOWMNBMMKPJZBR-OAQYLSRUSA-N 0 3 457.018 4.950 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC001435035405 1064451855 /nfs/dbraw/zinc/45/18/55/1064451855.db2.gz WOFHGGVHFPSDHL-UHFFFAOYSA-N 0 3 456.590 4.734 20 0 JJADHN Cc1ccccc1COc1cccc(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC001435061935 1064479693 /nfs/dbraw/zinc/47/96/93/1064479693.db2.gz AQLNETCRUYNRKG-UHFFFAOYSA-N 0 3 452.545 4.985 20 0 JJADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359809166 1064482638 /nfs/dbraw/zinc/48/26/38/1064482638.db2.gz IRTSPVFYPQNXEZ-QHCPKHFHSA-N 0 3 497.581 4.646 20 0 JJADHN COc1cc(Br)cc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001435065785 1064485269 /nfs/dbraw/zinc/48/52/69/1064485269.db2.gz QCBDPRRHPNFSRL-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN COc1c(Br)cccc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001435069410 1064491257 /nfs/dbraw/zinc/49/12/57/1064491257.db2.gz XQHGILICIWTPOR-UHFFFAOYSA-N 0 3 451.792 4.849 20 0 JJADHN CC1(C)CN(C2(CNC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)CCCCC2)CCO1 ZINC001435105742 1064515895 /nfs/dbraw/zinc/51/58/95/1064515895.db2.gz YVKFDYMYYRMRHT-UHFFFAOYSA-N 0 3 458.002 4.651 20 0 JJADHN O=C(c1cnc(-c2ccccn2)nc1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359851653 1064538932 /nfs/dbraw/zinc/53/89/32/1064538932.db2.gz ODDMPVBHBVGGKS-UHFFFAOYSA-N 0 3 456.377 4.584 20 0 JJADHN CCc1ccc(-n2nc(C(=O)N(CCN(C)C)Cc3cccc(Cl)c3)c3c2CCC3)cc1 ZINC001359852308 1064539480 /nfs/dbraw/zinc/53/94/80/1064539480.db2.gz YFFIVGHYINZOTF-UHFFFAOYSA-N 0 3 451.014 4.781 20 0 JJADHN CC(C)(C)CNC(=O)c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001359858021 1064545243 /nfs/dbraw/zinc/54/52/43/1064545243.db2.gz HAJRRNZUCILEHV-UHFFFAOYSA-N 0 3 456.030 4.854 20 0 JJADHN CSc1cccc(N(C(=O)Cc2cc(Br)ccc2F)C2CCN(C)CC2)c1 ZINC001435148214 1064548129 /nfs/dbraw/zinc/54/81/29/1064548129.db2.gz JLCFCCDEUZCIKE-UHFFFAOYSA-N 0 3 451.405 4.980 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccccc1Br ZINC001359860486 1064549751 /nfs/dbraw/zinc/54/97/51/1064549751.db2.gz RRXYWDUNGHTIRT-UHFFFAOYSA-N 0 3 462.480 4.846 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001435195243 1064583692 /nfs/dbraw/zinc/58/36/92/1064583692.db2.gz OPZCFFKTHDUQSE-HSZRJFAPSA-N 0 3 451.014 4.774 20 0 JJADHN CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001359903032 1064617274 /nfs/dbraw/zinc/61/72/74/1064617274.db2.gz YMDCVRPYLFOMCN-LEWJYISDSA-N 0 3 476.065 4.666 20 0 JJADHN CC(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001359933407 1064673629 /nfs/dbraw/zinc/67/36/29/1064673629.db2.gz RRMKFNRPVBCHPP-PMACEKPBSA-N 0 3 476.065 4.807 20 0 JJADHN CC(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001359944380 1064690749 /nfs/dbraw/zinc/69/07/49/1064690749.db2.gz RXGUJKWLWVTNTJ-UHFFFAOYSA-N 0 3 476.463 4.730 20 0 JJADHN CC(C)CCOC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001359954034 1064717675 /nfs/dbraw/zinc/71/76/75/1064717675.db2.gz CHEKRGLBEAITOR-QFIPXVFZSA-N 0 3 468.671 4.736 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCOC2)cc1 ZINC001359955281 1064724428 /nfs/dbraw/zinc/72/44/28/1064724428.db2.gz SOXKLPWWPHKXOS-QFIPXVFZSA-N 0 3 469.674 4.717 20 0 JJADHN CC(C)CCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359963891 1064736803 /nfs/dbraw/zinc/73/68/03/1064736803.db2.gz FAWGMGGGTGPIMW-FQEVSTJZSA-N 0 3 461.626 4.540 20 0 JJADHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC001435422621 1064749731 /nfs/dbraw/zinc/74/97/31/1064749731.db2.gz NVRAERKGMUKKHD-UHFFFAOYSA-N 0 3 454.379 4.826 20 0 JJADHN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001359982391 1064757519 /nfs/dbraw/zinc/75/75/19/1064757519.db2.gz BSIGTCMOPSSHSD-TUACAJSNSA-N 0 3 453.675 4.736 20 0 JJADHN CC(C)CN(c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(F)cc1)N(C)C)C1CCCC1 ZINC001359987733 1064768718 /nfs/dbraw/zinc/76/87/18/1064768718.db2.gz VPJRGJMYUVYRLV-HSZRJFAPSA-N 0 3 453.610 4.526 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360014478 1064813157 /nfs/dbraw/zinc/81/31/57/1064813157.db2.gz GISVTNYORKUABW-ZJOUEHCJSA-N 0 3 464.029 4.988 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nc(C(F)(F)F)cs2)CC1 ZINC001360017198 1064817012 /nfs/dbraw/zinc/81/70/12/1064817012.db2.gz BJLFWWPWTMKPML-UHFFFAOYSA-N 0 3 484.979 4.900 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC2(C)CC2)CC1 ZINC001360017370 1064817830 /nfs/dbraw/zinc/81/78/30/1064817830.db2.gz DZQSUUHBIAOGGC-UHFFFAOYSA-N 0 3 452.466 4.737 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001360027525 1064829471 /nfs/dbraw/zinc/82/94/71/1064829471.db2.gz NVNVDCQGSRAESK-UHFFFAOYSA-N 0 3 455.544 4.851 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC3CCCC3)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001360029303 1064831131 /nfs/dbraw/zinc/83/11/31/1064831131.db2.gz NNQFVYVQJZRDAL-UHFFFAOYSA-N 0 3 465.564 4.578 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360030849 1064832695 /nfs/dbraw/zinc/83/26/95/1064832695.db2.gz QHJOIGBINPHJLA-UHFFFAOYSA-N 0 3 471.665 4.770 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC=CO2)CC1 ZINC001360033759 1064837293 /nfs/dbraw/zinc/83/72/93/1064837293.db2.gz JMCYWRPMIZKJKC-LJQANCHMSA-N 0 3 480.440 4.635 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccc(Cl)s2)CC1 ZINC001360034607 1064839168 /nfs/dbraw/zinc/83/91/68/1064839168.db2.gz WDTMMNUIKOQQMF-UHFFFAOYSA-N 0 3 478.037 4.732 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCS2)CC1 ZINC001360034901 1064839330 /nfs/dbraw/zinc/83/93/30/1064839330.db2.gz YPXOIHGWCYZBBK-SFHVURJKSA-N 0 3 484.497 4.838 20 0 JJADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1Br ZINC001360035679 1064841041 /nfs/dbraw/zinc/84/10/41/1064841041.db2.gz SYBRYJBNRRTTIT-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC001360050311 1064874381 /nfs/dbraw/zinc/87/43/81/1064874381.db2.gz ONASDKAIJHVDCC-RUZDIDTESA-N 0 3 496.744 4.555 20 0 JJADHN CCC(CC)(C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001435613943 1064876825 /nfs/dbraw/zinc/87/68/25/1064876825.db2.gz OLJOVMUOLHWJKB-OAQYLSRUSA-N 0 3 454.615 4.725 20 0 JJADHN Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435614047 1064877662 /nfs/dbraw/zinc/87/76/62/1064877662.db2.gz RCIMQFNLEAYYQZ-LADGPHEKSA-N 0 3 452.002 4.533 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001360056630 1064888536 /nfs/dbraw/zinc/88/85/36/1064888536.db2.gz DQCQSJBMVOZAIJ-QFIPXVFZSA-N 0 3 487.023 4.516 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001360066255 1064908955 /nfs/dbraw/zinc/90/89/55/1064908955.db2.gz LXYMCPKJFGFAMK-WOJBJXKFSA-N 0 3 459.685 4.546 20 0 JJADHN CC(C)CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360076030 1064922972 /nfs/dbraw/zinc/92/29/72/1064922972.db2.gz CCTCPILSMDEEBL-UHFFFAOYSA-N 0 3 497.551 4.746 20 0 JJADHN CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001360129233 1065024956 /nfs/dbraw/zinc/02/49/56/1065024956.db2.gz HLZOOPDHTWCAOW-SFHVURJKSA-N 0 3 459.384 4.695 20 0 JJADHN CCOc1ccccc1-c1cccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC001360160788 1065059841 /nfs/dbraw/zinc/05/98/41/1065059841.db2.gz RFBCXNYORIBRNB-UHFFFAOYSA-N 0 3 457.574 4.830 20 0 JJADHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001435933520 1065070064 /nfs/dbraw/zinc/07/00/64/1065070064.db2.gz HTABHMAGILPZFM-XMMPIXPASA-N 0 3 459.512 4.528 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc2)CC1 ZINC001435979719 1065090806 /nfs/dbraw/zinc/09/08/06/1065090806.db2.gz XBXYUAUJIAZLDW-UHFFFAOYSA-N 0 3 456.015 4.565 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435993123 1065097775 /nfs/dbraw/zinc/09/77/75/1065097775.db2.gz AIAXUOFCWCHNAT-JOCHJYFZSA-N 0 3 455.400 4.521 20 0 JJADHN COc1cc(Cl)c(Br)cc1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001435996061 1065099541 /nfs/dbraw/zinc/09/95/41/1065099541.db2.gz XYGBLFYSBZOYMZ-LJQANCHMSA-N 0 3 453.808 4.998 20 0 JJADHN C[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2)N(C)Cc1ccccc1 ZINC001360281575 1065122278 /nfs/dbraw/zinc/12/22/78/1065122278.db2.gz GRBYYGMXRZPTLS-INIZCTEOSA-N 0 3 457.405 4.918 20 0 JJADHN CCCN(C)[C@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197534 1065244732 /nfs/dbraw/zinc/24/47/32/1065244732.db2.gz JPAPDTDVNQZQLZ-FCHUYYIVSA-N 0 3 450.410 4.760 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC001436197981 1065245293 /nfs/dbraw/zinc/24/52/93/1065245293.db2.gz QWTVSCKJBHOZPN-KRWDZBQOSA-N 0 3 453.764 4.644 20 0 JJADHN COC1CCN(C2(CNC(=O)c3cc4ccc(Br)cc4s3)CCCC2)CC1 ZINC001360388397 1065253014 /nfs/dbraw/zinc/25/30/14/1065253014.db2.gz SWAAVWLTTGFYII-UHFFFAOYSA-N 0 3 451.430 4.817 20 0 JJADHN CCc1nc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001360412688 1065275964 /nfs/dbraw/zinc/27/59/64/1065275964.db2.gz XCYSDNALADNFIX-KRWDZBQOSA-N 0 3 458.393 4.531 20 0 JJADHN CC(C)SCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC001360415316 1065278128 /nfs/dbraw/zinc/27/81/28/1065278128.db2.gz RUCMVGHGLYTAIM-LJQANCHMSA-N 0 3 461.651 4.763 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C1 ZINC001436280878 1065285395 /nfs/dbraw/zinc/28/53/95/1065285395.db2.gz PWQUZRGQVFTKIO-IKJWCUOUSA-N 0 3 453.671 4.612 20 0 JJADHN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001360428126 1065300176 /nfs/dbraw/zinc/30/01/76/1065300176.db2.gz CSBMOCUTVHSFDL-YWZLYKJASA-N 0 3 471.581 4.519 20 0 JJADHN C[C@@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001360433853 1065313245 /nfs/dbraw/zinc/31/32/45/1065313245.db2.gz ZCBFPLPOXGUULN-IBGZPJMESA-N 0 3 452.647 4.545 20 0 JJADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)N(C)C ZINC001360440845 1065325059 /nfs/dbraw/zinc/32/50/59/1065325059.db2.gz YLNJGEXMGYBOPB-VHKJGPOGSA-N 0 3 496.706 4.583 20 0 JJADHN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)N(C)C ZINC001360454220 1065350680 /nfs/dbraw/zinc/35/06/80/1065350680.db2.gz FUAVZSMVQMVHOV-WMZHIEFXSA-N 0 3 499.681 4.650 20 0 JJADHN O=C(c1ccc(C(F)F)c(F)c1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436604527 1065395192 /nfs/dbraw/zinc/39/51/92/1065395192.db2.gz FUPFWBRPHRGHNG-UHFFFAOYSA-N 0 3 451.920 4.844 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1CCN1CCC(C)CC1 ZINC001545903685 1065489201 /nfs/dbraw/zinc/48/92/01/1065489201.db2.gz GIDNKMVKMNVCTO-DEOSSOPVSA-N 0 3 466.674 4.578 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1C[C@H](C)N1CCC(C)CC1 ZINC001545904062 1065497097 /nfs/dbraw/zinc/49/70/97/1065497097.db2.gz NMTKCYMVXWJHDR-SQJMNOBHSA-N 0 3 496.700 4.667 20 0 JJADHN C[C@H](CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)N(C)C)c1nccs1 ZINC001360525317 1065501596 /nfs/dbraw/zinc/50/15/96/1065501596.db2.gz SFHOQYBHZAGHCW-SQNIBIBYSA-N 0 3 460.673 4.581 20 0 JJADHN C[C@@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360526267 1065504296 /nfs/dbraw/zinc/50/42/96/1065504296.db2.gz INAJDJHIFIPVRQ-NZQKXSOJSA-N 0 3 460.651 4.868 20 0 JJADHN Cc1c2occ(CC(=O)Nc3ccc(OCCCN4CCN(C)CC4)cc3)c2ccc1Cl ZINC001437385966 1065546646 /nfs/dbraw/zinc/54/66/46/1065546646.db2.gz RKKUXLGGHKSDKD-UHFFFAOYSA-N 0 3 455.986 4.592 20 0 JJADHN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001437748808 1065599990 /nfs/dbraw/zinc/59/99/90/1065599990.db2.gz UCJQKNQKEBFCDF-DEOSSOPVSA-N 0 3 456.030 4.621 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@H](C)N1CCC(C)CC1 ZINC001545912295 1065653340 /nfs/dbraw/zinc/65/33/40/1065653340.db2.gz NOVIVQLMSCNNNC-RBBKRZOGSA-N 0 3 486.730 4.590 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)COC/C=C/c2ccccc2)cc1 ZINC001438322666 1065709272 /nfs/dbraw/zinc/70/92/72/1065709272.db2.gz AVTBSVQKXKEFHS-LAZVVJCASA-N 0 3 456.586 4.509 20 0 JJADHN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438322656 1065709316 /nfs/dbraw/zinc/70/93/16/1065709316.db2.gz AQWGCXWDNISVCK-DMDYGQEQSA-N 0 3 462.565 4.776 20 0 JJADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001360641339 1065713178 /nfs/dbraw/zinc/71/31/78/1065713178.db2.gz GYKHNSWFYDKCBH-URXFXBBRSA-N 0 3 496.700 4.807 20 0 JJADHN C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657820 1065727027 /nfs/dbraw/zinc/72/70/27/1065727027.db2.gz CZMNGTRLVKRFTQ-DNCJFXNASA-N 0 3 459.512 4.914 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001360727041 1065754120 /nfs/dbraw/zinc/75/41/20/1065754120.db2.gz LSUWDXJDKNIAGH-HSZRJFAPSA-N 0 3 478.424 4.673 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001438988801 1065775003 /nfs/dbraw/zinc/77/50/03/1065775003.db2.gz YUKULMUEWDEGIC-UTKZUKDTSA-N 0 3 450.549 4.679 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN1CCCCC1 ZINC001360746137 1065788067 /nfs/dbraw/zinc/78/80/67/1065788067.db2.gz UBQKBCIGPHDHRU-OFNKIYASSA-N 0 3 473.637 4.827 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCCS1 ZINC001360748621 1065790437 /nfs/dbraw/zinc/79/04/37/1065790437.db2.gz CPZMKMGPKCKVMF-RXVVDRJESA-N 0 3 461.651 4.763 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(Cl)nc1 ZINC001360748702 1065791071 /nfs/dbraw/zinc/79/10/71/1065791071.db2.gz DUFPZIQRHXRAAB-QGZVFWFLSA-N 0 3 472.996 4.574 20 0 JJADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN1CCCCC1 ZINC001360756278 1065814502 /nfs/dbraw/zinc/81/45/02/1065814502.db2.gz RICJAYWJZJTCDJ-LJQANCHMSA-N 0 3 476.065 4.951 20 0 JJADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001360759995 1065830458 /nfs/dbraw/zinc/83/04/58/1065830458.db2.gz FPOMCLJDDXIFTO-LJQANCHMSA-N 0 3 498.075 4.501 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCc1c(C)cccc1C ZINC001545922912 1065834595 /nfs/dbraw/zinc/83/45/95/1065834595.db2.gz XSMNHIFPLSDDDH-UHFFFAOYSA-N 0 3 480.701 4.511 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C ZINC001360764796 1065846025 /nfs/dbraw/zinc/84/60/25/1065846025.db2.gz FMNZOZWZHTVPID-IRFCIJBXSA-N 0 3 487.645 4.784 20 0 JJADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601969 1065846970 /nfs/dbraw/zinc/84/69/70/1065846970.db2.gz WHVBABQOCUBHMY-FGZHOGPDSA-N 0 3 453.384 4.524 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN1CCCCC1 ZINC001360774732 1065874512 /nfs/dbraw/zinc/87/45/12/1065874512.db2.gz OZQRUBSCGXQOBM-HXUWFJFHSA-N 0 3 473.637 4.827 20 0 JJADHN CC(C)C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)N(C)C(=O)OC(C)(C)C ZINC001440382254 1065935394 /nfs/dbraw/zinc/93/53/94/1065935394.db2.gz CZCRIAMTIAYYFC-VQTJNVASSA-N 0 3 451.677 4.919 20 0 JJADHN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001440385035 1065935951 /nfs/dbraw/zinc/93/59/51/1065935951.db2.gz GLRZZIPUSOAXJG-NRFANRHFSA-N 0 3 453.608 4.538 20 0 JJADHN CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)[NH+](CC)CC ZINC001440562242 1065949646 /nfs/dbraw/zinc/94/96/46/1065949646.db2.gz CVRTVZYWBDXDDJ-SFHVURJKSA-N 0 3 458.411 4.853 20 0 JJADHN CC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)N(CC)CC ZINC001440562242 1065949656 /nfs/dbraw/zinc/94/96/56/1065949656.db2.gz CVRTVZYWBDXDDJ-SFHVURJKSA-N 0 3 458.411 4.853 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(C)CCCO2)CC1 ZINC001360844210 1065952847 /nfs/dbraw/zinc/95/28/47/1065952847.db2.gz UCTMFTKFOLJQJN-HSZRJFAPSA-N 0 3 482.456 4.654 20 0 JJADHN CN(C)[C@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)Cc1ccccc1 ZINC001440665641 1065961023 /nfs/dbraw/zinc/96/10/23/1065961023.db2.gz IKQZVHPKJMFYJQ-IBGZPJMESA-N 0 3 457.368 4.524 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1cccc(OC)c1 ZINC001440872626 1065987091 /nfs/dbraw/zinc/98/70/91/1065987091.db2.gz CYNKGLYODOXOBX-IBGZPJMESA-N 0 3 454.596 4.588 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876370 1065987588 /nfs/dbraw/zinc/98/75/88/1065987588.db2.gz JVNRLIIVVSOHHS-ZDXQCDESSA-N 0 3 459.428 4.935 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccnc(Oc2ccc(F)cc2F)c1)c1cccc(OC)c1 ZINC001440884807 1065989660 /nfs/dbraw/zinc/98/96/60/1065989660.db2.gz YECVSLWCRCTMGT-QFIPXVFZSA-N 0 3 455.505 4.974 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360876800 1066020974 /nfs/dbraw/zinc/02/09/74/1066020974.db2.gz BKYFLCQHKZGPKA-AMGIVPHBSA-N 0 3 469.674 4.507 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001441302375 1066023930 /nfs/dbraw/zinc/02/39/30/1066023930.db2.gz AJGNKFPIVYTKLN-UHFFFAOYSA-N 0 3 450.410 4.929 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3csc(Nc4cc(F)cc(F)c4)n3)cc2)CC1 ZINC001441307714 1066024154 /nfs/dbraw/zinc/02/41/54/1066024154.db2.gz HCMLDYACZUGJFJ-UHFFFAOYSA-N 0 3 457.550 4.555 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCCCCO)c1C ZINC001360878263 1066025526 /nfs/dbraw/zinc/02/55/26/1066025526.db2.gz STNGJIHCCUTDIT-JOCHJYFZSA-N 0 3 457.663 4.508 20 0 JJADHN CN1CCN(Cc2ccc(CNC(=O)c3ccc(Sc4ccc(Cl)cc4)o3)cc2)CC1 ZINC001441365825 1066034997 /nfs/dbraw/zinc/03/49/97/1066034997.db2.gz LETJFVQATONPKB-UHFFFAOYSA-N 0 3 456.011 4.762 20 0 JJADHN CN(CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462978 1066043022 /nfs/dbraw/zinc/04/30/22/1066043022.db2.gz HJTCDGLGUWSJDF-FQEVSTJZSA-N 0 3 452.451 4.755 20 0 JJADHN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001360891895 1066043358 /nfs/dbraw/zinc/04/33/58/1066043358.db2.gz FYVXOVMHDHUSSR-JOCHJYFZSA-N 0 3 451.640 4.811 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)C(C)(C)N2CCCCC2)N2CCc3sccc3C2)cc1 ZINC001441465617 1066043477 /nfs/dbraw/zinc/04/34/77/1066043477.db2.gz ITEWUEQPUPICKR-JOCHJYFZSA-N 0 3 457.709 4.950 20 0 JJADHN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001441493210 1066046404 /nfs/dbraw/zinc/04/64/04/1066046404.db2.gz KWWSSBIGRUTJMH-UHFFFAOYSA-N 0 3 454.621 4.539 20 0 JJADHN Cc1nc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)sc1C ZINC001360901542 1066055131 /nfs/dbraw/zinc/05/51/31/1066055131.db2.gz UKOZAFCLKNMIEI-KRWDZBQOSA-N 0 3 472.634 4.599 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442064837 1066089229 /nfs/dbraw/zinc/08/92/29/1066089229.db2.gz VBESGTMENWSTGM-QSEAXJEQSA-N 0 3 455.643 4.756 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071305 1066089887 /nfs/dbraw/zinc/08/98/87/1066089887.db2.gz JKXUJJPEJJYDSX-DHIUTWEWSA-N 0 3 455.643 4.613 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCSCC3)cc2)CC1 ZINC001360936070 1066096020 /nfs/dbraw/zinc/09/60/20/1066096020.db2.gz IOEJBVUBGPKWRZ-UHFFFAOYSA-N 0 3 459.059 4.676 20 0 JJADHN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CN2CCCCC2)c1 ZINC001442149618 1066097593 /nfs/dbraw/zinc/09/75/93/1066097593.db2.gz HWDLCQCTGHPZHC-HXUWFJFHSA-N 0 3 456.428 4.691 20 0 JJADHN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(CN2CCCCC2)c1 ZINC001442149614 1066097686 /nfs/dbraw/zinc/09/76/86/1066097686.db2.gz HWDLCQCTGHPZHC-FQEVSTJZSA-N 0 3 456.428 4.691 20 0 JJADHN Cc1occc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1cccs1)N(C)C ZINC001360944904 1066099801 /nfs/dbraw/zinc/09/98/01/1066099801.db2.gz NMQJQDKUKYGSMB-OAQYLSRUSA-N 0 3 453.587 4.910 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1OCC ZINC001442284126 1066111246 /nfs/dbraw/zinc/11/12/46/1066111246.db2.gz ALINOZDXIUJNSP-UXHICEINSA-N 0 3 452.595 4.565 20 0 JJADHN Cc1c(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(CC(C)C)CC2)cnn1CC(C)C ZINC001360956795 1066112812 /nfs/dbraw/zinc/11/28/12/1066112812.db2.gz QKUQZJCDOLHHCO-QFIPXVFZSA-N 0 3 497.663 4.544 20 0 JJADHN C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344616 1066118315 /nfs/dbraw/zinc/11/83/15/1066118315.db2.gz UDEPHZZYSWSSEW-LADGPHEKSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1c(Cl)cccc1NC(=O)CCn1c(C2CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360984309 1066145877 /nfs/dbraw/zinc/14/58/77/1066145877.db2.gz RRUXDHSYNKZFDI-UHFFFAOYSA-N 0 3 473.065 4.704 20 0 JJADHN CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001545950961 1066153133 /nfs/dbraw/zinc/15/31/33/1066153133.db2.gz ZGFMDXFJAAFRJB-SDUSCBPUSA-N 0 3 453.675 4.880 20 0 JJADHN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442719325 1066155340 /nfs/dbraw/zinc/15/53/40/1066155340.db2.gz IPJUNNNBQZULNP-QGZVFWFLSA-N 0 3 459.553 4.631 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001442732663 1066156392 /nfs/dbraw/zinc/15/63/92/1066156392.db2.gz XJAGWGOGKGDTHX-UHFFFAOYSA-N 0 3 458.406 4.576 20 0 JJADHN C[C@@H]1CCCC[C@@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001442755270 1066157076 /nfs/dbraw/zinc/15/70/76/1066157076.db2.gz ZCMJZJOAOOZYHA-FYYLOGMGSA-N 0 3 457.659 4.879 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)nc1)Cc1ccccc1 ZINC001361013654 1066198898 /nfs/dbraw/zinc/19/88/98/1066198898.db2.gz RDBZTIMBNQOBIW-UHFFFAOYSA-N 0 3 457.496 4.797 20 0 JJADHN Cc1cc(C)cc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001361015177 1066203459 /nfs/dbraw/zinc/20/34/59/1066203459.db2.gz PKPGQSQTFWRDMH-UHFFFAOYSA-N 0 3 485.474 4.673 20 0 JJADHN O=C(COc1ccccc1OCc1ccccc1)N1CCCN(CCCc2ccccc2)CC1 ZINC001442838163 1066230132 /nfs/dbraw/zinc/23/01/32/1066230132.db2.gz JTCMHWGOMIPVAP-UHFFFAOYSA-N 0 3 458.602 4.812 20 0 JJADHN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N1CCN(C)C(C)(C)CC1 ZINC001454270917 1066262503 /nfs/dbraw/zinc/26/25/03/1066262503.db2.gz ZTUGJMNXGBRHHZ-UHFFFAOYSA-N 0 3 456.578 4.890 20 0 JJADHN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc2)c1 ZINC001443166165 1066276883 /nfs/dbraw/zinc/27/68/83/1066276883.db2.gz NTLLTWCFCOZFJE-HHHXNRCGSA-N 0 3 455.602 4.882 20 0 JJADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396048 1066277778 /nfs/dbraw/zinc/27/77/78/1066277778.db2.gz BGETZDSLOJZXBZ-KXBFYZLASA-N 0 3 454.924 4.583 20 0 JJADHN CCOc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400448 1066278339 /nfs/dbraw/zinc/27/83/39/1066278339.db2.gz LCQOKTWVANUIOQ-SQJMNOBHSA-N 0 3 459.590 4.700 20 0 JJADHN CCOc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400442 1066278425 /nfs/dbraw/zinc/27/84/25/1066278425.db2.gz LCQOKTWVANUIOQ-PXDATVDWSA-N 0 3 459.590 4.700 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404494 1066279408 /nfs/dbraw/zinc/27/94/08/1066279408.db2.gz UNGSSKOJUCPHIE-DMDCLOPFSA-N 0 3 453.671 4.659 20 0 JJADHN O=C(N[C@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001454480623 1066290482 /nfs/dbraw/zinc/29/04/82/1066290482.db2.gz QGRWAXUOKHIGPU-VQTJNVASSA-N 0 3 457.348 4.691 20 0 JJADHN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C3)cc1 ZINC001443301872 1066292371 /nfs/dbraw/zinc/29/23/71/1066292371.db2.gz GDNUXOAFHVOFCP-AREMUKBSSA-N 0 3 452.574 4.736 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C(C)(C)Cc2ccc(O)cc2)cc1 ZINC001454635418 1066313067 /nfs/dbraw/zinc/31/30/67/1066313067.db2.gz YFGHDRAXWOQNCW-RRPNLBNLSA-N 0 3 458.602 4.754 20 0 JJADHN C[C@H](C(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001443723044 1066356772 /nfs/dbraw/zinc/35/67/72/1066356772.db2.gz BLDFXODKDUXEEC-NHCUHLMSSA-N 0 3 455.593 4.513 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC001361138507 1066413792 /nfs/dbraw/zinc/41/37/92/1066413792.db2.gz AZRYYEJHZGYQBT-GGAORHGYSA-N 0 3 453.656 4.790 20 0 JJADHN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)N(C)C)cc1 ZINC001361139452 1066414954 /nfs/dbraw/zinc/41/49/54/1066414954.db2.gz JXLDFQFTUYAIJF-VQTJNVASSA-N 0 3 457.573 4.998 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)N(C)C)cc1 ZINC001361139341 1066415185 /nfs/dbraw/zinc/41/51/85/1066415185.db2.gz IDDLAJMSOKHIIU-VWNXMTODSA-N 0 3 496.700 4.993 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)N(C)C)cc1 ZINC001361140765 1066418820 /nfs/dbraw/zinc/41/88/20/1066418820.db2.gz GJWUTHXDNRVDRV-XZOQPEGZSA-N 0 3 482.673 4.808 20 0 JJADHN Cc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N(Cc2ccco2)C(C)C)N(C)C)cc1 ZINC001361140958 1066419257 /nfs/dbraw/zinc/41/92/57/1066419257.db2.gz JIXVDRQYOOELDI-RUZDIDTESA-N 0 3 458.610 4.883 20 0 JJADHN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001455651426 1066419539 /nfs/dbraw/zinc/41/95/39/1066419539.db2.gz VQDUESJQOKNZBK-CYBMUJFWSA-N 0 3 457.493 4.605 20 0 JJADHN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444163974 1066423692 /nfs/dbraw/zinc/42/36/92/1066423692.db2.gz HASKHUBHYFRFBW-KDYSTLNUSA-N 0 3 459.675 4.775 20 0 JJADHN C[C@H]1CN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CCN1C1CCCC1 ZINC001455686569 1066424347 /nfs/dbraw/zinc/42/43/47/1066424347.db2.gz IGYLSRSEVRXHGE-FQEVSTJZSA-N 0 3 457.684 4.659 20 0 JJADHN C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CCN1C1CCCC1 ZINC001455702722 1066424902 /nfs/dbraw/zinc/42/49/02/1066424902.db2.gz OAZDDWXOXAMKKS-OAHLLOKOSA-N 0 3 454.924 4.693 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361144574 1066426876 /nfs/dbraw/zinc/42/68/76/1066426876.db2.gz JPDLTEHIFJORAL-QFIPXVFZSA-N 0 3 496.725 4.759 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001444258848 1066436718 /nfs/dbraw/zinc/43/67/18/1066436718.db2.gz KLDWQYXKSQOTLN-UARRHKHWSA-N 0 3 455.643 4.583 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CCSCC(C)C)c1 ZINC001361159826 1066465130 /nfs/dbraw/zinc/46/51/30/1066465130.db2.gz LJVLZUZWWWFISQ-UHFFFAOYSA-N 0 3 471.715 4.928 20 0 JJADHN CC(C)c1nc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001456005884 1066471172 /nfs/dbraw/zinc/47/11/72/1066471172.db2.gz FQPZFQLYAWXDLN-INIZCTEOSA-N 0 3 458.393 4.831 20 0 JJADHN Cc1ccc(/C=C\CC(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC001444651569 1066488990 /nfs/dbraw/zinc/48/89/90/1066488990.db2.gz PKPGQNIHAPTYSI-IHWYPQMZSA-N 0 3 457.412 4.820 20 0 JJADHN Cc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CCN(C)Cc2ccc(F)cc2)o1 ZINC001361175075 1066491461 /nfs/dbraw/zinc/49/14/61/1066491461.db2.gz BKOAXPNBKXJVMA-KRWDZBQOSA-N 0 3 468.602 4.814 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC001456051897 1066493940 /nfs/dbraw/zinc/49/39/40/1066493940.db2.gz DAEHEWKIHBXWPW-UHFFFAOYSA-N 0 3 456.993 4.723 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC001456056536 1066496792 /nfs/dbraw/zinc/49/67/92/1066496792.db2.gz POOIRCBVJHTPKE-UHFFFAOYSA-N 0 3 450.501 4.865 20 0 JJADHN CCc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(Br)cc3)no2)cc1 ZINC001456058406 1066497918 /nfs/dbraw/zinc/49/79/18/1066497918.db2.gz RPQNJLUTEIWSAK-UHFFFAOYSA-N 0 3 456.384 4.871 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1csc(-c2ncccc2F)n1 ZINC001456060836 1066498502 /nfs/dbraw/zinc/49/85/02/1066498502.db2.gz UCQNFROLONSEAP-UHFFFAOYSA-N 0 3 452.477 4.567 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001456062842 1066499579 /nfs/dbraw/zinc/49/95/79/1066499579.db2.gz YTEQVFVHBSMSQZ-UHFFFAOYSA-N 0 3 456.512 4.584 20 0 JJADHN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001361192144 1066519573 /nfs/dbraw/zinc/51/95/73/1066519573.db2.gz HZWFIICPBAUOLH-ZCYQVOJMSA-N 0 3 459.556 4.737 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361209015 1066541812 /nfs/dbraw/zinc/54/18/12/1066541812.db2.gz JNKNLJIHBOOQCO-HXUWFJFHSA-N 0 3 457.644 4.995 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CCN(C)Cc2ccc(F)cc2)o1 ZINC001361210423 1066543808 /nfs/dbraw/zinc/54/38/08/1066543808.db2.gz JYQKEGYJCDSDTC-UHFFFAOYSA-N 0 3 474.378 4.607 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001456274057 1066552233 /nfs/dbraw/zinc/55/22/33/1066552233.db2.gz BZBLFGJGALAZKD-QFIPXVFZSA-N 0 3 455.643 4.775 20 0 JJADHN C[C@@H]1CN(CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@H](C)O1 ZINC001445345678 1066560697 /nfs/dbraw/zinc/56/06/97/1066560697.db2.gz JARJGNNZMGTRKB-KDURUIRLSA-N 0 3 451.449 4.657 20 0 JJADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)c2cc(Cl)ccc2OC2CCCC2)cc1 ZINC001456319468 1066561751 /nfs/dbraw/zinc/56/17/51/1066561751.db2.gz ORWCBRTXCYXIIZ-UHFFFAOYSA-N 0 3 455.986 4.739 20 0 JJADHN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)o1 ZINC001361227004 1066565451 /nfs/dbraw/zinc/56/54/51/1066565451.db2.gz DTFCYEXYMRWRQA-LVXARBLLSA-N 0 3 469.605 4.930 20 0 JJADHN C[C@@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)N(C)Cc1ccccc1 ZINC001456400600 1066578826 /nfs/dbraw/zinc/57/88/26/1066578826.db2.gz KPPITAKPNHWHBQ-SFHVURJKSA-N 0 3 453.633 4.729 20 0 JJADHN CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CCCN(Cc3ccccc3)CCOCC2)cc1 ZINC001456437380 1066586062 /nfs/dbraw/zinc/58/60/62/1066586062.db2.gz NCPLHWKUQXOWQP-SANMLTNESA-N 0 3 452.639 4.549 20 0 JJADHN COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)ccc2c1 ZINC001456489885 1066597313 /nfs/dbraw/zinc/59/73/13/1066597313.db2.gz NEBSKPBUCCTUDP-FDYWPOKOSA-N 0 3 457.574 4.667 20 0 JJADHN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)o2)cc1 ZINC001456501090 1066602485 /nfs/dbraw/zinc/60/24/85/1066602485.db2.gz RLYPAGXLIIWFQX-HSZRJFAPSA-N 0 3 459.546 4.568 20 0 JJADHN C[C@@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)CN1Cc1ccccc1 ZINC001445789401 1066617606 /nfs/dbraw/zinc/61/76/06/1066617606.db2.gz JSADIXUMCZJYIN-QAPCUYQASA-N 0 3 458.425 4.771 20 0 JJADHN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001492610800 1066672854 /nfs/dbraw/zinc/67/28/54/1066672854.db2.gz IEAUQCFBSYLZCV-DNQXCXABSA-N 0 3 494.684 4.852 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277973 1066683948 /nfs/dbraw/zinc/68/39/48/1066683948.db2.gz AZNKPXLOPGUWSC-LVXARBLLSA-N 0 3 450.529 4.553 20 0 JJADHN CCCc1c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774112 1066686981 /nfs/dbraw/zinc/68/69/81/1066686981.db2.gz WIMADDPDDMUVDJ-KSFYIVLOSA-N 0 3 458.031 4.748 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CC23CCCCC3)CCN(Cc2ccccc2)CC1 ZINC001446987426 1066762342 /nfs/dbraw/zinc/76/23/42/1066762342.db2.gz XFPDAKNEJUNXKO-JOCHJYFZSA-N 0 3 455.643 4.775 20 0 JJADHN Cc1cscc1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492655286 1066765786 /nfs/dbraw/zinc/76/57/86/1066765786.db2.gz GNJYRAZEBKHWDI-UHFFFAOYSA-N 0 3 471.646 4.973 20 0 JJADHN Cc1nc(C)c(CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492657528 1066771407 /nfs/dbraw/zinc/77/14/07/1066771407.db2.gz VJUFUVKYEXTPJN-UHFFFAOYSA-N 0 3 482.698 4.710 20 0 JJADHN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254899 1066798153 /nfs/dbraw/zinc/79/81/53/1066798153.db2.gz XJKHZCYAWGNTDE-HMBVCUQOSA-N 0 3 479.549 4.625 20 0 JJADHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CCN1Cc1ccccc1 ZINC001447499930 1066815920 /nfs/dbraw/zinc/81/59/20/1066815920.db2.gz OXKUHSAGVRKNKT-LJQANCHMSA-N 0 3 458.484 4.712 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)c2ccccc2F)cs1 ZINC001492680486 1066823072 /nfs/dbraw/zinc/82/30/72/1066823072.db2.gz PGULRVYNINCJEP-UHFFFAOYSA-N 0 3 470.662 4.671 20 0 JJADHN CCCOc1nc2ccccc2cc1/C=C\C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001447569345 1066823322 /nfs/dbraw/zinc/82/33/22/1066823322.db2.gz RGDZLANNARPSPX-SEYXRHQNSA-N 0 3 459.590 4.805 20 0 JJADHN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001492686546 1066831358 /nfs/dbraw/zinc/83/13/58/1066831358.db2.gz DFIGLQHESJHEOW-HXUWFJFHSA-N 0 3 482.698 4.963 20 0 JJADHN Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCN(CCC(C)(C)C)CC2)cs1 ZINC001492691364 1066836910 /nfs/dbraw/zinc/83/69/10/1066836910.db2.gz GYIQFNGCBMMHEJ-UHFFFAOYSA-N 0 3 486.661 4.562 20 0 JJADHN Cc1nc([C@H]2CCCN2c2nnc(CC(C)C)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001492694164 1066839943 /nfs/dbraw/zinc/83/99/43/1066839943.db2.gz BRRFTLZZPYDAOS-JOCHJYFZSA-N 0 3 456.635 4.854 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@H](C)CC(=O)c3ccccc3F)c(OCC)c2)CC1 ZINC001447801931 1066861533 /nfs/dbraw/zinc/86/15/33/1066861533.db2.gz JEJNAZNFKGLFHS-LJQANCHMSA-N 0 3 455.574 4.604 20 0 JJADHN Cc1nn(Cc2ccccc2)c(C)c1Cn1c(CC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001492730970 1066901494 /nfs/dbraw/zinc/90/14/94/1066901494.db2.gz ILAPAKOHTOAIEK-UHFFFAOYSA-N 0 3 477.701 4.697 20 0 JJADHN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492731224 1066902045 /nfs/dbraw/zinc/90/20/45/1066902045.db2.gz ODYHXSANTYOWIE-ZEQRLZLVSA-N 0 3 481.664 4.964 20 0 JJADHN O=C(Nc1cc([O-])c(Br)cc1Br)c1ccc(C[NH+]2CCCCC2)o1 ZINC001457783194 1066918978 /nfs/dbraw/zinc/91/89/78/1066918978.db2.gz BZMUFBBQYTXTCP-UHFFFAOYSA-N 0 3 458.150 4.748 20 0 JJADHN CN(C)Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)c1 ZINC001448354436 1066919004 /nfs/dbraw/zinc/91/90/04/1066919004.db2.gz NHCQCBGENMAMOP-QFIPXVFZSA-N 0 3 458.002 4.836 20 0 JJADHN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448465233 1066930369 /nfs/dbraw/zinc/93/03/69/1066930369.db2.gz LORWCKCBNHSEKQ-QPPBQGQZSA-N 0 3 451.517 4.568 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722606 1066978707 /nfs/dbraw/zinc/97/87/07/1066978707.db2.gz XISNXZMQXNJQTC-JTHBVZDNSA-N 0 3 495.741 4.542 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731951 1066992604 /nfs/dbraw/zinc/99/26/04/1066992604.db2.gz VOQOHMGISFNWMM-XFGYDDDFSA-N 0 3 482.698 4.951 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731966 1066992688 /nfs/dbraw/zinc/99/26/88/1066992688.db2.gz VSJSNBRKSCFLEJ-AOHZBQACSA-N 0 3 461.658 4.636 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732040 1066993263 /nfs/dbraw/zinc/99/32/63/1066993263.db2.gz WQFHMWPQQPNIFT-NNXSRULWSA-N 0 3 492.634 4.623 20 0 JJADHN CCCN(C)[C@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263559 1066993675 /nfs/dbraw/zinc/99/36/75/1066993675.db2.gz KAWTXLRFZXFNDI-HXUWFJFHSA-N 0 3 459.015 4.990 20 0 JJADHN O=C(CSc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1)NCC1CCCCC1 ZINC001458168969 1066994824 /nfs/dbraw/zinc/99/48/24/1066994824.db2.gz SDWSHRXPMPMUHR-UHFFFAOYSA-N 0 3 457.684 4.566 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736182 1066999874 /nfs/dbraw/zinc/99/98/74/1066999874.db2.gz LRXBGJZERZBTDT-ILBGXUMGSA-N 0 3 466.718 4.720 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736341 1067000186 /nfs/dbraw/zinc/00/01/86/1067000186.db2.gz PCXAJQHAZMFLEF-QHCPKHFHSA-N 0 3 492.634 4.626 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545743374 1067009307 /nfs/dbraw/zinc/00/93/07/1067009307.db2.gz IVHYBVXQBOSOHJ-AREMUKBSSA-N 0 3 496.744 4.632 20 0 JJADHN C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001449555004 1067014651 /nfs/dbraw/zinc/01/46/51/1067014651.db2.gz IDOOZCVIPNGEQC-HNNXBMFYSA-N 0 3 451.995 4.540 20 0 JJADHN CC[C@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001545748495 1067017479 /nfs/dbraw/zinc/01/74/79/1067017479.db2.gz BFFTUXXLNICPAR-RPWUZVMVSA-N 0 3 451.659 4.866 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545750046 1067022142 /nfs/dbraw/zinc/02/21/42/1067022142.db2.gz XJUZITTXFRDXNG-SKBVVQJISA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756113 1067033090 /nfs/dbraw/zinc/03/30/90/1067033090.db2.gz AWELBUQEDNLIFM-VQTJNVASSA-N 0 3 467.580 4.708 20 0 JJADHN Cn1c(C(=O)N2CCN(C)C3(CCCCC3)C2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886194 1067034445 /nfs/dbraw/zinc/03/44/45/1067034445.db2.gz AUJSIQFRBAMIPY-OAQYLSRUSA-N 0 3 458.647 4.578 20 0 JJADHN C[C@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC001449891493 1067034820 /nfs/dbraw/zinc/03/48/20/1067034820.db2.gz CNKRQCPCFCUPFB-KJXAQDMKSA-N 0 3 461.622 4.547 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(c4ccc(F)cc4F)CCCC3)CC2)cc1 ZINC001449906116 1067036234 /nfs/dbraw/zinc/03/62/34/1067036234.db2.gz RNCUHPHWCXQOLA-UHFFFAOYSA-N 0 3 455.549 4.516 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545758536 1067038410 /nfs/dbraw/zinc/03/84/10/1067038410.db2.gz IVUJVUVIQHXWAD-RUZDIDTESA-N 0 3 489.712 4.888 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545758774 1067039546 /nfs/dbraw/zinc/03/95/46/1067039546.db2.gz MPWPQZMVWMVQJR-HSZRJFAPSA-N 0 3 471.715 4.510 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046618 1067044245 /nfs/dbraw/zinc/04/42/45/1067044245.db2.gz JPKSVVYYSBCQIV-LEWJYISDSA-N 0 3 459.403 4.891 20 0 JJADHN CC[C@@H](C)N[C@@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372603 1067045108 /nfs/dbraw/zinc/04/51/08/1067045108.db2.gz QDDCVCKWYTZCBG-KDOFPFPSSA-N 0 3 455.360 4.712 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCCCc2cc(Br)ccc21 ZINC001458377718 1067046381 /nfs/dbraw/zinc/04/63/81/1067046381.db2.gz WPFTUVXIYDAIEI-UHFFFAOYSA-N 0 3 456.428 4.721 20 0 JJADHN CC[C@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765403 1067050391 /nfs/dbraw/zinc/05/03/91/1067050391.db2.gz AQROXLUWWNWIAX-DEOSSOPVSA-N 0 3 498.785 4.958 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545767881 1067053144 /nfs/dbraw/zinc/05/31/44/1067053144.db2.gz ISFNAPBDGHVERH-AOHZBQACSA-N 0 3 488.671 4.575 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2OC(F)F)N(C)C)cc1 ZINC001450140090 1067053383 /nfs/dbraw/zinc/05/33/83/1067053383.db2.gz XDPNLLVOVVUYEL-MRXNPFEDSA-N 0 3 459.356 4.805 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cc2)CC1 ZINC001458599495 1067092491 /nfs/dbraw/zinc/09/24/91/1067092491.db2.gz YLIZRRKAAFXKMM-NRFANRHFSA-N 0 3 456.030 4.802 20 0 JJADHN COc1cccc2c1[C@H](C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)CC2 ZINC001450696469 1067105060 /nfs/dbraw/zinc/10/50/60/1067105060.db2.gz CFYPEYVAOOVTEX-HXUWFJFHSA-N 0 3 457.412 4.611 20 0 JJADHN COc1cccc2c(C(=O)N(Cc3ccccc3Br)C3CCN(C)CC3)coc21 ZINC001450698357 1067105991 /nfs/dbraw/zinc/10/59/91/1067105991.db2.gz HSXOQXWFQMWRNH-UHFFFAOYSA-N 0 3 457.368 4.941 20 0 JJADHN COc1ccc(CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710032 1067108872 /nfs/dbraw/zinc/10/88/72/1067108872.db2.gz ILNJFFCQZPOIQD-XXBNENTESA-N 0 3 454.586 4.882 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545805337 1067118913 /nfs/dbraw/zinc/11/89/13/1067118913.db2.gz LRKUWEZYZGRBAV-PXDATVDWSA-N 0 3 469.674 4.717 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(CC)C1)N1CCOCC1 ZINC001545805667 1067121004 /nfs/dbraw/zinc/12/10/04/1067121004.db2.gz QKDHQILQRKGIIO-SHQCIBLASA-N 0 3 469.674 4.717 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)N(C)C)cc1 ZINC001450786116 1067121000 /nfs/dbraw/zinc/12/10/00/1067121000.db2.gz LZEDHANLMHJOEJ-XMMPIXPASA-N 0 3 453.627 4.943 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)N(C)C)cc1 ZINC001450794268 1067121839 /nfs/dbraw/zinc/12/18/39/1067121839.db2.gz FZGRJRNRCFFVLR-JOCHJYFZSA-N 0 3 457.659 4.832 20 0 JJADHN COc1c(Br)ccc(F)c1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450800640 1067122653 /nfs/dbraw/zinc/12/26/53/1067122653.db2.gz MUCZOQNMUXCGDK-LJQANCHMSA-N 0 3 451.380 4.828 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)N1CCOCC1 ZINC001545808354 1067133723 /nfs/dbraw/zinc/13/37/23/1067133723.db2.gz WZRPMRKTNXWCAQ-WTNAPCKOSA-N 0 3 464.029 4.530 20 0 JJADHN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001545809152 1067135009 /nfs/dbraw/zinc/13/50/09/1067135009.db2.gz WHMCEOLPAAKWJM-UKRRQHHQSA-N 0 3 453.848 4.806 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)S[C@@H](C)C1)N1CCOCC1 ZINC001545809628 1067136320 /nfs/dbraw/zinc/13/63/20/1067136320.db2.gz HTPFHVZJWRYYJY-HFMPRLQTSA-N 0 3 471.715 4.721 20 0 JJADHN Cc1[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c(C)c1C(=O)OC(C)C ZINC001451109047 1067146682 /nfs/dbraw/zinc/14/66/82/1067146682.db2.gz JQUNBAVNDIRVKV-BJKOFHAPSA-N 0 3 477.580 4.734 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545826745 1067176337 /nfs/dbraw/zinc/17/63/37/1067176337.db2.gz SNHABXUFBVSMOF-YADHBBJMSA-N 0 3 468.690 4.823 20 0 JJADHN CCOc1cc(-c2ccccc2)sc1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001451567922 1067178522 /nfs/dbraw/zinc/17/85/22/1067178522.db2.gz KFRRNELKLQCLFU-UHFFFAOYSA-N 0 3 450.604 4.571 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)CC2CCCC2)n1CC1(N2CCSCC2)CCCCC1 ZINC001545840861 1067193882 /nfs/dbraw/zinc/19/38/82/1067193882.db2.gz OSSMWHXJYXBQIM-UHFFFAOYSA-N 0 3 490.762 4.575 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001451879780 1067195877 /nfs/dbraw/zinc/19/58/77/1067195877.db2.gz VEDFDQZITNDPEE-SGNDLWITSA-N 0 3 455.643 4.583 20 0 JJADHN COCCN1CCC[C@@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966725 1067201239 /nfs/dbraw/zinc/20/12/39/1067201239.db2.gz IUJJLIFLOSKXCN-HSZRJFAPSA-N 0 3 454.014 4.503 20 0 JJADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970700 1067213144 /nfs/dbraw/zinc/21/31/44/1067213144.db2.gz CXHMRCYAHRIOQH-QFIPXVFZSA-N 0 3 452.501 4.778 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350432 1067300674 /nfs/dbraw/zinc/30/06/74/1067300674.db2.gz XQGGRMHTCNVDBP-RSXGOPAZSA-N 0 3 452.595 4.861 20 0 JJADHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN(CC)[C@@H](C)C(C)C ZINC001459385212 1067309520 /nfs/dbraw/zinc/30/95/20/1067309520.db2.gz WXVYKQPUSXBQFL-KRWDZBQOSA-N 0 3 459.612 4.790 20 0 JJADHN CN1CCC[C@@H]1CNC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001453575090 1067315409 /nfs/dbraw/zinc/31/54/09/1067315409.db2.gz GHNKUAFNVSSAHM-LJQANCHMSA-N 0 3 456.662 4.780 20 0 JJADHN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411854 1067316470 /nfs/dbraw/zinc/31/64/70/1067316470.db2.gz BTMXIVGCGXDCQS-OAHLLOKOSA-N 0 3 459.363 4.870 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCN[C@@H](C(C)C)C3)cc12 ZINC001453742095 1067326106 /nfs/dbraw/zinc/32/61/06/1067326106.db2.gz ZZXVCKHBZFXTFL-GOSISDBHSA-N 0 3 451.423 4.831 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510689 1067341757 /nfs/dbraw/zinc/34/17/57/1067341757.db2.gz DARJFHJTTSHQBM-ZRBLBEILSA-N 0 3 459.631 4.755 20 0 JJADHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567320 1067354184 /nfs/dbraw/zinc/35/41/84/1067354184.db2.gz VBIIOGMAPHRXKL-CZTZKLFOSA-N 0 3 459.512 4.869 20 0 JJADHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581696 1067356778 /nfs/dbraw/zinc/35/67/78/1067356778.db2.gz UMPIXCHLFRLSPB-QGZVFWFLSA-N 0 3 454.924 4.728 20 0 JJADHN CCOc1ccc([C@H](C)NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664548 1067375996 /nfs/dbraw/zinc/37/59/96/1067375996.db2.gz AFQIBKRKXCLXPN-TUACAJSNSA-N 0 3 454.611 4.639 20 0 JJADHN COc1cc(NC2CCN(CCOc3cc(F)cc(Br)c3)CC2)cc(OC)c1 ZINC001459702922 1067388398 /nfs/dbraw/zinc/38/83/98/1067388398.db2.gz AXDPNIHVXUPFPY-UHFFFAOYSA-N 0 3 453.352 4.561 20 0 JJADHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722942 1067396009 /nfs/dbraw/zinc/39/60/09/1067396009.db2.gz UDAWZOAXSUDYNQ-IBVKSMDESA-N 0 3 458.647 4.679 20 0 JJADHN COC(=O)CCCN(Cc1ccccc1)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001459750004 1067405315 /nfs/dbraw/zinc/40/53/15/1067405315.db2.gz YKGXAASYZZGWFO-UHFFFAOYSA-N 0 3 452.595 4.935 20 0 JJADHN CN(CCN(CC(=O)N(C)c1nc2ccccc2s1)Cc1ccccc1)Cc1ccccc1 ZINC001459775593 1067417106 /nfs/dbraw/zinc/41/71/06/1067417106.db2.gz TXJXAEGSYXIJNS-UHFFFAOYSA-N 0 3 458.631 4.893 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC001459784849 1067420999 /nfs/dbraw/zinc/42/09/99/1067420999.db2.gz GNZKBFIBXFRYAO-PIKZIKFNSA-N 0 3 455.602 4.842 20 0 JJADHN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788373 1067422894 /nfs/dbraw/zinc/42/28/94/1067422894.db2.gz BODVOTWSWPFRQT-JPYJTQIMSA-N 0 3 454.018 4.868 20 0 JJADHN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC001459806681 1067431577 /nfs/dbraw/zinc/43/15/77/1067431577.db2.gz LCQLAKBQBPWJEE-QFIPXVFZSA-N 0 3 451.611 4.630 20 0 JJADHN Cc1cccc(Oc2ccc(NC(=O)CN3CCC(CCCN4CCOCC4)CC3)cc2)c1 ZINC001459809010 1067432345 /nfs/dbraw/zinc/43/23/45/1067432345.db2.gz WJBUYOZPQPNMJK-UHFFFAOYSA-N 0 3 451.611 4.550 20 0 JJADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810988 1067433364 /nfs/dbraw/zinc/43/33/64/1067433364.db2.gz UFHFXAJYACARCO-NFBKMPQASA-N 0 3 454.014 4.759 20 0 JJADHN COC(=O)Nc1ccc(CNC(=O)CN[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459825221 1067440784 /nfs/dbraw/zinc/44/07/84/1067440784.db2.gz JTOTZDYRBGOZTJ-HXUWFJFHSA-N 0 3 451.489 4.877 20 0 JJADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827753 1067441721 /nfs/dbraw/zinc/44/17/21/1067441721.db2.gz WEMHUHUWRLTFDL-QHCPKHFHSA-N 0 3 459.700 4.858 20 0 JJADHN COc1ccc(NC(=O)CN(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831385 1067444307 /nfs/dbraw/zinc/44/43/07/1067444307.db2.gz CRRDNYPFJXCVGQ-AVRDEDQJSA-N 0 3 456.583 4.740 20 0 JJADHN CC(C)(C)C[C@@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(F)cc1 ZINC001459832417 1067444401 /nfs/dbraw/zinc/44/44/01/1067444401.db2.gz URCQGWSQUHMDFC-OAQYLSRUSA-N 0 3 454.525 4.524 20 0 JJADHN CCOC(=O)C1C(CN[C@H](c2ccccc2C)C2CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833194 1067444764 /nfs/dbraw/zinc/44/47/64/1067444764.db2.gz JFGCIULODKPBAY-GOTSBHOMSA-N 0 3 453.970 4.560 20 0 JJADHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848188 1067453745 /nfs/dbraw/zinc/45/37/45/1067453745.db2.gz GKJYVAYXLMSTGP-QZTJIDSGSA-N 0 3 459.575 4.864 20 0 JJADHN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848901 1067454105 /nfs/dbraw/zinc/45/41/05/1067454105.db2.gz VHMHEUIATYKYNX-RBUKOAKNSA-N 0 3 451.542 4.506 20 0 JJADHN CC[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851810 1067456145 /nfs/dbraw/zinc/45/61/45/1067456145.db2.gz HGZOOBJSQFNWGE-SFTDATJTSA-N 0 3 451.394 4.769 20 0 JJADHN Cc1ccc(CCC2CCN(C(=O)CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 ZINC001459866768 1067463994 /nfs/dbraw/zinc/46/39/94/1067463994.db2.gz RQDWSEBXCQAZDC-NDEPHWFRSA-N 0 3 450.623 4.924 20 0 JJADHN CCC[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1ccccc1 ZINC001459868024 1067465323 /nfs/dbraw/zinc/46/53/23/1067465323.db2.gz ZQMCBOWSGYNBAE-XMMPIXPASA-N 0 3 457.640 4.709 20 0 JJADHN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN[C@H](CO)C3CCCCC3)nc2c1C ZINC001459932868 1067496889 /nfs/dbraw/zinc/49/68/89/1067496889.db2.gz NHNMPQRSZQLQPH-JOCHJYFZSA-N 0 3 451.636 4.977 20 0 JJADHN CC(C)c1ccc(CN(C(=O)CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014509 1067527617 /nfs/dbraw/zinc/52/76/17/1067527617.db2.gz FZSVYSWASCKDED-OAQYLSRUSA-N 0 3 457.659 4.928 20 0 JJADHN OC[C@@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020017 1067530549 /nfs/dbraw/zinc/53/05/49/1067530549.db2.gz WBKUDDMQRMCTDR-CVEARBPZSA-N 0 3 456.661 4.617 20 0 JJADHN OC[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020059 1067530701 /nfs/dbraw/zinc/53/07/01/1067530701.db2.gz WBKUDDMQRMCTDR-JKSUJKDBSA-N 0 3 456.661 4.617 20 0 JJADHN O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1)NC1CCC2(CC1)OCCO2 ZINC001460025037 1067532681 /nfs/dbraw/zinc/53/26/81/1067532681.db2.gz XTVCMLYRQWHJHA-JOCHJYFZSA-N 0 3 454.533 4.718 20 0 JJADHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072964 1067546528 /nfs/dbraw/zinc/54/65/28/1067546528.db2.gz CMIXLCIEEUCDPG-FCHUYYIVSA-N 0 3 455.986 4.858 20 0 JJADHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072972 1067546571 /nfs/dbraw/zinc/54/65/71/1067546571.db2.gz CMIXLCIEEUCDPG-YADHBBJMSA-N 0 3 455.986 4.858 20 0 JJADHN CC[C@@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076722 1067548057 /nfs/dbraw/zinc/54/80/57/1067548057.db2.gz FUZIIWPTCPKVDP-RLWLMLJZSA-N 0 3 450.604 4.980 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC001460087390 1067550673 /nfs/dbraw/zinc/55/06/73/1067550673.db2.gz ZSITZGICJSPDPF-HHHXNRCGSA-N 0 3 455.593 4.591 20 0 JJADHN O=C1[C@@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137619 1067562761 /nfs/dbraw/zinc/56/27/61/1067562761.db2.gz HISSHWMGDKCUMY-YWZLYKJASA-N 0 3 451.767 4.912 20 0 JJADHN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001460224389 1067583415 /nfs/dbraw/zinc/58/34/15/1067583415.db2.gz AJESOZFZINWATK-DSNGMDLFSA-N 0 3 463.622 4.945 20 0 JJADHN CCCC[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)Nc1cc(C)on1 ZINC001460222208 1067583609 /nfs/dbraw/zinc/58/36/09/1067583609.db2.gz QQVMMCQHTKBFPU-CCDWMCETSA-N 0 3 464.585 4.877 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305123 1067603262 /nfs/dbraw/zinc/60/32/62/1067603262.db2.gz NJGXNUUYBBOVFO-VQTJNVASSA-N 0 3 457.537 4.783 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC001460305125 1067603349 /nfs/dbraw/zinc/60/33/49/1067603349.db2.gz NJGXNUUYBBOVFO-WOJBJXKFSA-N 0 3 457.537 4.783 20 0 JJADHN CC(C)c1ccc(CN(C(=O)CN(CCC(=O)OC(C)(C)C)C2CCOCC2)C2CC2)cc1 ZINC001460306018 1067603796 /nfs/dbraw/zinc/60/37/96/1067603796.db2.gz SGMFLOXFEYFTFJ-UHFFFAOYSA-N 0 3 458.643 4.514 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC001460327860 1067609467 /nfs/dbraw/zinc/60/94/67/1067609467.db2.gz YVWXQIXKLUKATP-LOSJGSFVSA-N 0 3 451.630 4.844 20 0 JJADHN CC(C)N(C(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C1CCCC1 ZINC001460388216 1067623682 /nfs/dbraw/zinc/62/36/82/1067623682.db2.gz FTIYYODHTNGALD-DHIUTWEWSA-N 0 3 461.622 4.688 20 0 JJADHN Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c1C ZINC001460393869 1067625785 /nfs/dbraw/zinc/62/57/85/1067625785.db2.gz XSZBBSKCKUUZRA-FYYLOGMGSA-N 0 3 455.574 4.764 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccc(-n4nc(C)cc4C)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649869 1067686807 /nfs/dbraw/zinc/68/68/07/1067686807.db2.gz HSFDAKVXKQHKDZ-IZZNHLLZSA-N 0 3 476.621 4.990 20 0 JJADHN Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654868 1067689361 /nfs/dbraw/zinc/68/93/61/1067689361.db2.gz GYKMFBWMVDVSQL-IAGOWNOFSA-N 0 3 455.546 4.979 20 0 JJADHN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659865 1067691485 /nfs/dbraw/zinc/69/14/85/1067691485.db2.gz MAAVGPPHCXRWND-QHCPKHFHSA-N 0 3 450.604 4.936 20 0 JJADHN C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)CCC(=O)N1CCN(C)CC1 ZINC001460685132 1067701559 /nfs/dbraw/zinc/70/15/59/1067701559.db2.gz CRHVGTQRKUPBMO-KRWDZBQOSA-N 0 3 450.410 4.943 20 0 JJADHN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719457 1067708791 /nfs/dbraw/zinc/70/87/91/1067708791.db2.gz PTOXCDIUBRYUOA-HSZRJFAPSA-N 0 3 452.954 4.979 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723777 1067709911 /nfs/dbraw/zinc/70/99/11/1067709911.db2.gz FCEULAWDJXRMFB-DEOSSOPVSA-N 0 3 455.046 4.689 20 0 JJADHN C[C@@H]1CN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001460774207 1067721178 /nfs/dbraw/zinc/72/11/78/1067721178.db2.gz HMEAUKAZUZZMIY-SYYKKAFVSA-N 0 3 463.638 4.902 20 0 JJADHN CC[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)c1cccc2ccccc21 ZINC001460797769 1067725780 /nfs/dbraw/zinc/72/57/80/1067725780.db2.gz ZYMWWZZZSCQQNB-XMMPIXPASA-N 0 3 453.608 4.550 20 0 JJADHN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001460889563 1067743839 /nfs/dbraw/zinc/74/38/39/1067743839.db2.gz SZTUEISYUOOTHT-LUZMIZLMSA-N 0 3 451.611 4.594 20 0 JJADHN CC(C)(C)OC(=O)NC[C@]12CN(CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969512 1067754850 /nfs/dbraw/zinc/75/48/50/1067754850.db2.gz CYWXAMMFCIAHPN-VGOFRKELSA-N 0 3 453.421 4.845 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@@H]21 ZINC001460983838 1067757284 /nfs/dbraw/zinc/75/72/84/1067757284.db2.gz WEQPOSQZBMXGGP-BHIYHBOVSA-N 0 3 455.521 4.658 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@H](CN3CCCC3)c3ccccc3)o2)C1 ZINC001460993012 1067759272 /nfs/dbraw/zinc/75/92/72/1067759272.db2.gz QNSLCDDUTWEGRS-LADGPHEKSA-N 0 3 453.627 4.764 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H]1CN(CC(C)C)CCO1 ZINC001460994900 1067759907 /nfs/dbraw/zinc/75/99/07/1067759907.db2.gz IQGRPKOERFHYCO-XMMPIXPASA-N 0 3 452.574 4.559 20 0 JJADHN CCN1CCN(c2ccc(NCc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001461082039 1067777707 /nfs/dbraw/zinc/77/77/07/1067777707.db2.gz NGFOECLXFHGPCM-UHFFFAOYSA-N 0 3 450.627 4.734 20 0 JJADHN CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001461115346 1067784426 /nfs/dbraw/zinc/78/44/26/1067784426.db2.gz OKDGYVIGNGIAQJ-HSZRJFAPSA-N 0 3 450.558 4.710 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNCCc3coc(-c4ccccc4)n3)o2)C1 ZINC001461126998 1067786367 /nfs/dbraw/zinc/78/63/67/1067786367.db2.gz BBMPHBUVWIASBM-HXUWFJFHSA-N 0 3 451.567 4.825 20 0 JJADHN COc1cc(Br)c(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c(OC)c1 ZINC001461144799 1067788692 /nfs/dbraw/zinc/78/86/92/1067788692.db2.gz VJMFJUAJOLKKRX-KRWDZBQOSA-N 0 3 454.368 4.570 20 0 JJADHN COc1ccccc1OCCCNCc1cc(Br)cc(Br)c1OC ZINC001461160236 1067791455 /nfs/dbraw/zinc/79/14/55/1067791455.db2.gz JRWYVWTXQXYGNP-UHFFFAOYSA-N 0 3 459.178 4.788 20 0 JJADHN COc1cc2c(cc1OC)CN(C(=O)CCCNCc1ccc(F)c(Cl)c1Cl)CC2 ZINC001461182821 1067794233 /nfs/dbraw/zinc/79/42/33/1067794233.db2.gz RPEGIXRWQHQTPP-UHFFFAOYSA-N 0 3 455.357 4.604 20 0 JJADHN COc1ccc(S(=O)(=O)[N-]c2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)cc1 ZINC001461209031 1067799837 /nfs/dbraw/zinc/79/98/37/1067799837.db2.gz PGDFXCATZAGUNW-IRLDBZIGSA-N 0 3 451.592 4.707 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461215039 1067800681 /nfs/dbraw/zinc/80/06/81/1067800681.db2.gz DVIUFCWHCVWSBN-HUUCEWRRSA-N 0 3 457.833 4.937 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001461215031 1067800812 /nfs/dbraw/zinc/80/08/12/1067800812.db2.gz DVIUFCWHCVWSBN-CABCVRRESA-N 0 3 457.833 4.937 20 0 JJADHN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272362 1067815530 /nfs/dbraw/zinc/81/55/30/1067815530.db2.gz MKEATNJPWMTPER-GGXMVOPNSA-N 0 3 455.602 4.637 20 0 JJADHN COCCC(=O)N1CCC(NCc2c(Cl)cccc2OCc2ccccc2Cl)CC1 ZINC001461348576 1067835770 /nfs/dbraw/zinc/83/57/70/1067835770.db2.gz YDCAAZZUORIVQE-UHFFFAOYSA-N 0 3 451.394 4.690 20 0 JJADHN CCC1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)CCCC1 ZINC001546124060 1067847231 /nfs/dbraw/zinc/84/72/31/1067847231.db2.gz JSUKHGJPPJGLMW-UHFFFAOYSA-N 0 3 487.092 4.610 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001461429951 1067854069 /nfs/dbraw/zinc/85/40/69/1067854069.db2.gz FOKXKEAQVCDTSS-QFIPXVFZSA-N 0 3 459.421 4.868 20 0 JJADHN OC[C@H](CNCc1oc2ccccc2c1Br)Cc1ccccc1Br ZINC001461431039 1067854489 /nfs/dbraw/zinc/85/44/89/1067854489.db2.gz KPRXLVGAPXXUHB-ZDUSSCGKSA-N 0 3 453.174 4.899 20 0 JJADHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435666 1067855969 /nfs/dbraw/zinc/85/59/69/1067855969.db2.gz KNXQAGYNUYZBQD-DGCLKSJQSA-N 0 3 455.315 4.954 20 0 JJADHN CC(C)(C)OC(=O)N1CC=C(CNCc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC001461456514 1067861213 /nfs/dbraw/zinc/86/12/13/1067861213.db2.gz LGEZGGINZGXXNP-UHFFFAOYSA-N 0 3 452.530 4.923 20 0 JJADHN C[C@](O)(CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br ZINC001461460023 1067862247 /nfs/dbraw/zinc/86/22/47/1067862247.db2.gz CTCHQXKQBBXMKI-IBGZPJMESA-N 0 3 454.290 4.651 20 0 JJADHN Cc1cc(C2OCCO2)c(C)cc1CNCc1ccc(I)c(Cl)c1 ZINC001461461555 1067862662 /nfs/dbraw/zinc/86/26/62/1067862662.db2.gz LLAOZDKAOMZWQR-UHFFFAOYSA-N 0 3 457.739 4.897 20 0 JJADHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(NC(=O)N(C)C)cc2)cc1 ZINC001461463946 1067863220 /nfs/dbraw/zinc/86/32/20/1067863220.db2.gz ZLMHKZUHUIZYCN-UHFFFAOYSA-N 0 3 455.562 4.931 20 0 JJADHN COc1cccc(-c2n[nH]cc2CNCc2ccc(I)c(Cl)c2)c1 ZINC001461465514 1067863651 /nfs/dbraw/zinc/86/36/51/1067863651.db2.gz UPGBDGJZTYXQRN-UHFFFAOYSA-N 0 3 453.711 4.633 20 0 JJADHN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC001461488147 1067873220 /nfs/dbraw/zinc/87/32/20/1067873220.db2.gz OCNCFTUEASETTA-LJQANCHMSA-N 0 3 455.908 4.737 20 0 JJADHN CS(=O)(=O)C1(CNCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCCC1 ZINC001461489816 1067874043 /nfs/dbraw/zinc/87/40/43/1067874043.db2.gz ZYGUNQAOKSUHQU-UHFFFAOYSA-N 0 3 458.027 4.699 20 0 JJADHN CN(C(=O)c1ccc(NCc2c(F)ccc(Br)c2F)cc1)[C@@H]1CCCN(C)C1 ZINC001461564070 1067889311 /nfs/dbraw/zinc/88/93/11/1067889311.db2.gz JPRRPKUWDIUEJH-MRXNPFEDSA-N 0 3 452.343 4.506 20 0 JJADHN CC(C)(C)O[C@H]1C[C@H](NCc2cc(I)c(Br)cc2F)C1 ZINC001461605573 1067900511 /nfs/dbraw/zinc/90/05/11/1067900511.db2.gz KDDRWTSNJLOREI-XYPYZODXSA-N 0 3 456.137 4.629 20 0 JJADHN CC[C@@H](NCc1cc(I)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001461607605 1067900799 /nfs/dbraw/zinc/90/07/99/1067900799.db2.gz LWFXJEFIWYHCNY-CABCVRRESA-N 0 3 456.137 4.630 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461607920 1067900846 /nfs/dbraw/zinc/90/08/46/1067900846.db2.gz OJVPWKFCJZCAAB-AQNXPRMDSA-N 0 3 452.574 4.699 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cn(C(C)C)nc2C)cc1F ZINC001461627003 1067904930 /nfs/dbraw/zinc/90/49/30/1067904930.db2.gz LUFUFLNXGQBECL-UNMCSNQZSA-N 0 3 460.594 4.803 20 0 JJADHN FC1(F)Oc2cccc(CCNCc3cc(Br)sc3Br)c2O1 ZINC001461650557 1067909694 /nfs/dbraw/zinc/90/96/94/1067909694.db2.gz YZLIBVHTEHAVNK-UHFFFAOYSA-N 0 3 455.118 4.927 20 0 JJADHN O=C1OC[C@]2(CNCc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)COCCN12 ZINC001461702734 1067921957 /nfs/dbraw/zinc/92/19/57/1067921957.db2.gz ATJIBRGLSLDRLU-FQEVSTJZSA-N 0 3 457.741 4.750 20 0 JJADHN CCOc1c(Br)cc(CNCc2ccc3c(c2)ncn3C)cc1Br ZINC001461764527 1067932675 /nfs/dbraw/zinc/93/26/75/1067932675.db2.gz UUCAISFGIZJOOA-UHFFFAOYSA-N 0 3 453.178 4.787 20 0 JJADHN COc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1[O-] ZINC001461821873 1067942027 /nfs/dbraw/zinc/94/20/27/1067942027.db2.gz XULPTINRWKLCNE-OAHLLOKOSA-N 0 3 457.409 4.680 20 0 JJADHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCCNC(=O)OCc2ccccc2)cc1 ZINC001461825957 1067942554 /nfs/dbraw/zinc/94/25/54/1067942554.db2.gz COLIKJYKCIFFQQ-UHFFFAOYSA-N 0 3 456.546 4.564 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001461833519 1067943819 /nfs/dbraw/zinc/94/38/19/1067943819.db2.gz AWGIFLAIUWZCJV-OFNKIYASSA-N 0 3 475.431 4.965 20 0 JJADHN CCOCCO[C@H]1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn32)C1 ZINC001461863398 1067949689 /nfs/dbraw/zinc/94/96/89/1067949689.db2.gz ONOINSALSRHYGR-IBGZPJMESA-N 0 3 451.464 4.787 20 0 JJADHN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999736 1067977622 /nfs/dbraw/zinc/97/76/22/1067977622.db2.gz REIJPVIDGVFKDV-OAQYLSRUSA-N 0 3 450.501 4.748 20 0 JJADHN COCCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001462004773 1067978557 /nfs/dbraw/zinc/97/85/57/1067978557.db2.gz FHDJCGUNSIASQV-UHFFFAOYSA-N 0 3 450.410 4.817 20 0 JJADHN CCOc1cc(CN(C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013056 1067980312 /nfs/dbraw/zinc/98/03/12/1067980312.db2.gz HGSAAMWYOHHRKL-OAHLLOKOSA-N 0 3 450.473 4.763 20 0 JJADHN CCOc1cc(CN(C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)ccc1OC(F)F ZINC001462013050 1067980515 /nfs/dbraw/zinc/98/05/15/1067980515.db2.gz HGSAAMWYOHHRKL-HNNXBMFYSA-N 0 3 450.473 4.763 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](CN1CCN(Cc2cccc3ccccc32)CC1)CC(F)(F)F ZINC001462050526 1067990597 /nfs/dbraw/zinc/99/05/97/1067990597.db2.gz YIQZSWLGZSJVOV-HXUWFJFHSA-N 0 3 451.533 4.803 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](CC(N)=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001462064667 1067994625 /nfs/dbraw/zinc/99/46/25/1067994625.db2.gz QUCAOZPQCALUSP-BVYCBKJFSA-N 0 3 458.002 4.987 20 0 JJADHN CCOc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc(Br)c1[O-] ZINC001462090088 1067999502 /nfs/dbraw/zinc/99/95/02/1067999502.db2.gz VWMKTUFEUHYLQA-RBBKRZOGSA-N 0 3 452.364 4.556 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C(C)C)c2Cl)cc1 ZINC001462102635 1068003398 /nfs/dbraw/zinc/00/33/98/1068003398.db2.gz CIPVFXUIAUAWRT-XZOQPEGZSA-N 0 3 452.986 4.524 20 0 JJADHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109292 1068005673 /nfs/dbraw/zinc/00/56/73/1068005673.db2.gz HCCPYIWJIWUVRM-HXUWFJFHSA-N 0 3 450.608 4.582 20 0 JJADHN Cn1cc([C@@H](N[C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119320 1068008508 /nfs/dbraw/zinc/00/85/08/1068008508.db2.gz SBWDYPRTSPTSNP-VABKMULXSA-N 0 3 457.391 4.836 20 0 JJADHN COc1ccc(CN(CC2CCC2)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149615 1068015801 /nfs/dbraw/zinc/01/58/01/1068015801.db2.gz NBTZTBKLAGRZIO-IBGZPJMESA-N 0 3 454.558 4.951 20 0 JJADHN COC(=O)[C@]12CN(Cc3cc(F)ccc3Oc3ccc(Cl)c(Cl)c3)C[C@H]1COCC2 ZINC001462186385 1068024833 /nfs/dbraw/zinc/02/48/33/1068024833.db2.gz CLJMKESVWPSTOS-OYHNWAKOSA-N 0 3 454.325 4.936 20 0 JJADHN CCn1c(CNC2CC(CCNC(=O)OC(C)(C)C)C2)nc2cc(Br)ccc21 ZINC001462191487 1068026056 /nfs/dbraw/zinc/02/60/56/1068026056.db2.gz OGBVPTFUBOJORF-UHFFFAOYSA-N 0 3 451.409 4.602 20 0 JJADHN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCC1(c2ccc(Br)s2)CCC1 ZINC001462219237 1068031106 /nfs/dbraw/zinc/03/11/06/1068031106.db2.gz GEDBHDROYIOOSY-UHFFFAOYSA-N 0 3 455.422 4.803 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225310 1068032231 /nfs/dbraw/zinc/03/22/31/1068032231.db2.gz UBAAXNRMHQBQEC-QFIPXVFZSA-N 0 3 453.652 4.965 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001462234281 1068034831 /nfs/dbraw/zinc/03/48/31/1068034831.db2.gz ZIIIMEUQBPKUCO-DHIUTWEWSA-N 0 3 455.643 4.585 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1c(F)cc(Cl)cc1Br ZINC001462316065 1068050189 /nfs/dbraw/zinc/05/01/89/1068050189.db2.gz ZWMWZAFZPYHOCM-UHFFFAOYSA-N 0 3 454.771 4.783 20 0 JJADHN COC(=O)[C@@H]1CN(Cc2cccc(Br)c2)C[C@H]1c1ccc(Br)cc1 ZINC001462362763 1068060345 /nfs/dbraw/zinc/06/03/45/1068060345.db2.gz RTNVALBPZBDHDU-ZWKOTPCHSA-N 0 3 453.174 4.600 20 0 JJADHN CC(C)CCO[C@H]1CC[C@H](NCc2cc3cccnc3n2S(=O)(=O)c2ccccc2)CC1 ZINC001462431835 1068072985 /nfs/dbraw/zinc/07/29/85/1068072985.db2.gz COWMSOWHRFYSFA-AFARHQOCSA-N 0 3 455.624 4.737 20 0 JJADHN Cc1ccc(C(=O)NC2CCN(Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)cc1 ZINC001462484122 1068083100 /nfs/dbraw/zinc/08/31/00/1068083100.db2.gz YNOCUDPJTLHKLS-UHFFFAOYSA-N 0 3 453.384 4.542 20 0 JJADHN COc1cc(Br)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1O ZINC001462495889 1068085368 /nfs/dbraw/zinc/08/53/68/1068085368.db2.gz NXEPZHWSRPYTDR-OAHLLOKOSA-N 0 3 457.409 4.679 20 0 JJADHN Cc1cc(Cl)ccc1Oc1ccc(F)cc1CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001462545247 1068095390 /nfs/dbraw/zinc/09/53/90/1068095390.db2.gz ZPKNYQHGBLBSPY-UHFFFAOYSA-N 0 3 459.993 4.886 20 0 JJADHN COc1ccc(C2=NO[C@H](CNCc3cc4c(cc(F)cc4Br)[nH]3)C2)cc1F ZINC001462546740 1068095551 /nfs/dbraw/zinc/09/55/51/1068095551.db2.gz JDDBSHAPAAOMNU-AWEZNQCLSA-N 0 3 450.283 4.500 20 0 JJADHN COc1ccc(C2=NO[C@@H](CNCc3cc4c(cc(F)cc4Br)[nH]3)C2)cc1F ZINC001462546744 1068095958 /nfs/dbraw/zinc/09/59/58/1068095958.db2.gz JDDBSHAPAAOMNU-CQSZACIVSA-N 0 3 450.283 4.500 20 0 JJADHN CCOc1cc(C[NH2+]C[C@H]2CCCCCN2C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC001462648717 1068123930 /nfs/dbraw/zinc/12/39/30/1068123930.db2.gz SZAIPJMLOFFTBB-MRXNPFEDSA-N 0 3 457.409 4.823 20 0 JJADHN CN(C)Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1C(F)(F)F ZINC001462726978 1068144802 /nfs/dbraw/zinc/14/48/02/1068144802.db2.gz AOZXYPUGWHCHCW-AEFFLSMTSA-N 0 3 472.305 4.641 20 0 JJADHN C[C@@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242651 1068333020 /nfs/dbraw/zinc/33/30/20/1068333020.db2.gz ZTCCWNFISBKXQA-PNTFMKQHSA-N 0 3 472.651 4.748 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC001463247725 1068333795 /nfs/dbraw/zinc/33/37/95/1068333795.db2.gz BSYSBEGDALYTRP-YZXAJQSBSA-N 0 3 470.585 4.922 20 0 JJADHN CCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCN(Cc2ccccc2)CC1 ZINC001463369466 1068374566 /nfs/dbraw/zinc/37/45/66/1068374566.db2.gz ZNOSRRNTKLMKAO-NRFANRHFSA-N 0 3 454.014 4.596 20 0 JJADHN CS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375542 1068376483 /nfs/dbraw/zinc/37/64/83/1068376483.db2.gz INNNZQGGOYBWPK-DSNGMDLFSA-N 0 3 458.693 4.510 20 0 JJADHN COc1cccc([C@H](CNC(=O)Cc2ccc(Br)c(Cl)c2)N2CCCC2)c1 ZINC001463558688 1068441943 /nfs/dbraw/zinc/44/19/43/1068441943.db2.gz RJBAJQZJJUCJQG-FQEVSTJZSA-N 0 3 451.792 4.607 20 0 JJADHN COc1ccc([C@@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC001463562006 1068444040 /nfs/dbraw/zinc/44/40/40/1068444040.db2.gz GQFBLHCNMMFALK-VGOFRKELSA-N 0 3 450.501 4.726 20 0 JJADHN CC(C)CCOc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001463768967 1068518237 /nfs/dbraw/zinc/51/82/37/1068518237.db2.gz RQGRGCCZBDACME-CWAQXLGLSA-N 0 3 456.652 4.976 20 0 JJADHN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c(=O)[nH]1 ZINC001463771112 1068520089 /nfs/dbraw/zinc/52/00/89/1068520089.db2.gz UPEHBAHCVPIRLD-XMMPIXPASA-N 0 3 458.606 4.621 20 0 JJADHN CC(C)(C)OC(=O)NC1(CNC(=O)OCC2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC001463866653 1068550917 /nfs/dbraw/zinc/55/09/17/1068550917.db2.gz VXYDZHOYOCEWQB-UHFFFAOYSA-N 0 3 459.631 4.852 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1cccc(OC)c1 ZINC001463920055 1068566120 /nfs/dbraw/zinc/56/61/20/1068566120.db2.gz VOGTYYREWCQTCV-HSZRJFAPSA-N 0 3 455.002 4.964 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)c2ccc(C)cn2)cc1 ZINC001464083111 1068608287 /nfs/dbraw/zinc/60/82/87/1068608287.db2.gz WEUBMFQPOXJPSZ-IZZNHLLZSA-N 0 3 477.674 4.564 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)c3ncoc3-c3ccccc3Cl)CC2)c1 ZINC001464102258 1068615985 /nfs/dbraw/zinc/61/59/85/1068615985.db2.gz OCICLBNKOMKLRV-UHFFFAOYSA-N 0 3 452.986 4.636 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H](c1ccccc1)C1CC1 ZINC001464123953 1068623139 /nfs/dbraw/zinc/62/31/39/1068623139.db2.gz UHXFBFDPZQEKPZ-DEOSSOPVSA-N 0 3 459.556 4.918 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H](c1ccccc1)C1CC1 ZINC001464123954 1068623164 /nfs/dbraw/zinc/62/31/64/1068623164.db2.gz UHXFBFDPZQEKPZ-XMMPIXPASA-N 0 3 459.556 4.918 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1cc(I)cc(C)c1C)c1ccsc1 ZINC001464139523 1068631968 /nfs/dbraw/zinc/63/19/68/1068631968.db2.gz LDABXSVJHWVGNQ-SFHVURJKSA-N 0 3 456.393 4.782 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158981 1068637602 /nfs/dbraw/zinc/63/76/02/1068637602.db2.gz KXSCFGHLKNXNIJ-MHZLTWQESA-N 0 3 459.659 4.974 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)CC1 ZINC001464158974 1068637702 /nfs/dbraw/zinc/63/77/02/1068637702.db2.gz KXSCFGHLKNXNIJ-HHHXNRCGSA-N 0 3 459.659 4.974 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C\c2ccc(C)cc2)cc1 ZINC001464225508 1068665026 /nfs/dbraw/zinc/66/50/26/1068665026.db2.gz DSSNNQNCCJGFCI-LIAODFIFSA-N 0 3 462.615 4.562 20 0 JJADHN C[C@@H](Oc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1)c1ccccc1 ZINC001464276551 1068686209 /nfs/dbraw/zinc/68/62/09/1068686209.db2.gz WTXNGTWOVOCZDO-HXUWFJFHSA-N 0 3 457.574 4.776 20 0 JJADHN CO[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395040 1068730408 /nfs/dbraw/zinc/73/04/08/1068730408.db2.gz AQQPKJVCNQPWCW-PXNSSMCTSA-N 0 3 451.430 4.788 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399587 1068733076 /nfs/dbraw/zinc/73/30/76/1068733076.db2.gz LFYJOACFXYNWFZ-TZRRMPRUSA-N 0 3 455.643 4.754 20 0 JJADHN CC1CCN([C@H](CNC(=O)COc2ccccc2OCC(F)(F)F)c2ccccc2)CC1 ZINC001464405212 1068735119 /nfs/dbraw/zinc/73/51/19/1068735119.db2.gz XRGJDLOGKPLNLE-HXUWFJFHSA-N 0 3 450.501 4.596 20 0 JJADHN Cc1nc(-c2ccc(S(=O)(=O)NCC3(N(C)Cc4ccccc4)CCCCC3)cc2)co1 ZINC001464440836 1068746566 /nfs/dbraw/zinc/74/65/66/1068746566.db2.gz PHKAVDTXSMWDEU-UHFFFAOYSA-N 0 3 453.608 4.763 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001464490251 1068764507 /nfs/dbraw/zinc/76/45/07/1068764507.db2.gz BAQGUCVPUBBKNQ-QHCPKHFHSA-N 0 3 457.659 4.803 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)N2CCCC2)cc1 ZINC001464583289 1068791413 /nfs/dbraw/zinc/79/14/13/1068791413.db2.gz IJCGIGBFWGOHEL-HXUWFJFHSA-N 0 3 454.368 4.578 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CSc1nccc2ccccc21 ZINC001464634666 1068805492 /nfs/dbraw/zinc/80/54/92/1068805492.db2.gz CXFSHMAEEGCCFD-UHFFFAOYSA-N 0 3 458.425 4.680 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001464640074 1068808244 /nfs/dbraw/zinc/80/82/44/1068808244.db2.gz LSSNABQCSXRCMF-UHFFFAOYSA-N 0 3 454.290 4.552 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)c21 ZINC001164405569 718848023 /nfs/dbraw/zinc/84/80/23/718848023.db2.gz LVJOSLVHARZBQK-FCHUYYIVSA-N 0 3 499.998 4.813 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC2)CC1 ZINC001164613756 719024130 /nfs/dbraw/zinc/02/41/30/719024130.db2.gz CEPZXEABRWWZGH-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)CC2)CC1 ZINC001164616987 719028173 /nfs/dbraw/zinc/02/81/73/719028173.db2.gz GXXBDTXMDNKCPM-UHFFFAOYSA-N 0 3 487.378 4.725 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc4ccccc4nc3Cl)CC2)CC1 ZINC001164617810 719029388 /nfs/dbraw/zinc/02/93/88/719029388.db2.gz PLDILEAIKCSNIV-UHFFFAOYSA-N 0 3 451.945 4.677 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)CC2)CC1 ZINC001164618610 719032182 /nfs/dbraw/zinc/03/21/82/719032182.db2.gz VQIXVXYTIJGKMW-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN CCOC(=O)c1cc2c(N3CCC4(CCCN4Cc4csc(C)n4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164694341 719810307 /nfs/dbraw/zinc/81/03/07/719810307.db2.gz VIBVHKKLUWZLET-UHFFFAOYSA-N 0 3 467.639 4.756 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732425 720440204 /nfs/dbraw/zinc/44/02/04/720440204.db2.gz NHMOEJSFVWQWNN-VXKWHMMOSA-N 0 3 462.667 4.542 20 0 JJADHN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837450 720737830 /nfs/dbraw/zinc/73/78/30/720737830.db2.gz KAFSUUJNZCQDJW-UHFFFAOYSA-N 0 3 467.351 4.730 20 0 JJADHN Cc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164843492 720740740 /nfs/dbraw/zinc/74/07/40/720740740.db2.gz LLYSMGXULFTEII-UHFFFAOYSA-N 0 3 472.971 4.899 20 0 JJADHN Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164862649 721003848 /nfs/dbraw/zinc/00/38/48/721003848.db2.gz UBBLJENOXBJADP-GOSISDBHSA-N 0 3 467.687 4.522 20 0 JJADHN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865429 721090345 /nfs/dbraw/zinc/09/03/45/721090345.db2.gz LHAVSQPDGDGGOR-RPBOFIJWSA-N 0 3 499.018 4.734 20 0 JJADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867232 721119538 /nfs/dbraw/zinc/11/95/38/721119538.db2.gz XEMDSIKANXKKJX-UXHICEINSA-N 0 3 478.021 4.886 20 0 JJADHN Clc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878599 721139570 /nfs/dbraw/zinc/13/95/70/721139570.db2.gz QOMRZIMFQIYSEN-DHIUTWEWSA-N 0 3 471.992 4.825 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769077 721156007 /nfs/dbraw/zinc/15/60/07/721156007.db2.gz PHYMBTHHVFFANH-RPBOFIJWSA-N 0 3 453.590 4.506 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876365 721162260 /nfs/dbraw/zinc/16/22/60/721162260.db2.gz LVUDVJZOHIXLLY-KAYWLYCHSA-N 0 3 463.585 4.685 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774413 721179133 /nfs/dbraw/zinc/17/91/33/721179133.db2.gz YZXVLQWLHGPQFB-GOTSBHOMSA-N 0 3 494.039 4.529 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766986 721194991 /nfs/dbraw/zinc/19/49/91/721194991.db2.gz JVAORFUKCNFCHA-RBUKOAKNSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764232 721216312 /nfs/dbraw/zinc/21/63/12/721216312.db2.gz GPBDANDZMMXRAY-FGZHOGPDSA-N 0 3 456.619 4.564 20 0 JJADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164786022 721368279 /nfs/dbraw/zinc/36/82/79/721368279.db2.gz UMCJUOOZCCMZSY-NDEPHWFRSA-N 0 3 475.637 4.559 20 0 JJADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CCN3C2)c1 ZINC001164906580 721553446 /nfs/dbraw/zinc/55/34/46/721553446.db2.gz KDFXYNJRRHPSJX-HKUYNNGSSA-N 0 3 458.896 4.542 20 0 JJADHN CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907757 721722593 /nfs/dbraw/zinc/72/25/93/721722593.db2.gz TZSCZLNJFVRIPO-DEOSSOPVSA-N 0 3 469.605 4.875 20 0 JJADHN CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164910586 721731662 /nfs/dbraw/zinc/73/16/62/721731662.db2.gz GNLDJRCUENHGCQ-VWLOTQADSA-N 0 3 464.564 4.767 20 0 JJADHN Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913535 721733151 /nfs/dbraw/zinc/73/31/51/721733151.db2.gz WWUICJDMGAOQIB-JOCHJYFZSA-N 0 3 463.454 4.839 20 0 JJADHN c1ccc(CSc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2)cc1 ZINC001164960014 722060506 /nfs/dbraw/zinc/06/05/06/722060506.db2.gz CRWAUWKAMBOPTG-UHFFFAOYSA-N 0 3 460.647 4.888 20 0 JJADHN Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C ZINC001164959949 722061111 /nfs/dbraw/zinc/06/11/11/722061111.db2.gz ACTMUERXXPJATK-UHFFFAOYSA-N 0 3 478.040 4.928 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962186 722061306 /nfs/dbraw/zinc/06/13/06/722061306.db2.gz PLEWEAJDQXFPFB-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN Clc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979205 722108166 /nfs/dbraw/zinc/10/81/66/722108166.db2.gz PNNUDXAVSNBRKQ-UONOGXRCSA-N 0 3 462.208 4.818 20 0 JJADHN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981488 722121997 /nfs/dbraw/zinc/12/19/97/722121997.db2.gz UFNUOLKORDNEOJ-UZLBHIALSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973192 722123866 /nfs/dbraw/zinc/12/38/66/722123866.db2.gz GWCOSTLKSQNVOC-OXJNMPFZSA-N 0 3 494.373 4.604 20 0 JJADHN c1ccc(COc2ccc3nc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983210 722126477 /nfs/dbraw/zinc/12/64/77/722126477.db2.gz YMDBCYIVRGEEHH-UHSQPCAPSA-N 0 3 480.612 4.936 20 0 JJADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973423 722138271 /nfs/dbraw/zinc/13/82/71/722138271.db2.gz CDQAKWSADZUXQM-WMLDXEAASA-N 0 3 477.770 4.709 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1F ZINC001164980269 722140326 /nfs/dbraw/zinc/14/03/26/722140326.db2.gz MJLXAUFQQAJQHH-LVXARBLLSA-N 0 3 487.554 4.697 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978114 722148167 /nfs/dbraw/zinc/14/81/67/722148167.db2.gz JZJLZSSKCGMBHN-PXJZQJOASA-N 0 3 477.612 4.933 20 0 JJADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164994013 722208334 /nfs/dbraw/zinc/20/83/34/722208334.db2.gz CPUCTWDZABZLHQ-HHHXNRCGSA-N 0 3 495.668 4.524 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001359720242 1064268232 /nfs/dbraw/zinc/26/82/32/1064268232.db2.gz LTPJVGVWYQGZJQ-UHFFFAOYSA-N 0 3 468.477 4.774 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001545868234 1064278844 /nfs/dbraw/zinc/27/88/44/1064278844.db2.gz NLDPCTQTBJKPOE-XMMPIXPASA-N 0 3 466.674 4.578 20 0 JJADHN CC(C)C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CC=CCC2)CC1 ZINC001359739978 1064308955 /nfs/dbraw/zinc/30/89/55/1064308955.db2.gz JOQDXRLRWXQRQW-UHFFFAOYSA-N 0 3 476.438 4.981 20 0 JJADHN Cc1cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883982 1064315995 /nfs/dbraw/zinc/31/59/95/1064315995.db2.gz QCUPZDUPGWFAEG-YLJYHZDGSA-N 0 3 453.384 4.509 20 0 JJADHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c(Br)c1 ZINC001435062100 1064479672 /nfs/dbraw/zinc/47/96/72/1064479672.db2.gz DAQYMLUNWGXRJT-UHFFFAOYSA-N 0 3 453.808 4.634 20 0 JJADHN COc1cc(Br)cc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001435065143 1064484392 /nfs/dbraw/zinc/48/43/92/1064484392.db2.gz SABHJNLGCHJKTA-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1Cl ZINC001435065796 1064485245 /nfs/dbraw/zinc/48/52/45/1064485245.db2.gz TWJVLNRMKYFVGS-UHFFFAOYSA-N 0 3 453.808 4.852 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCSc1ccccc1Br ZINC001435066793 1064487782 /nfs/dbraw/zinc/48/77/82/1064487782.db2.gz YSSBSOPGZSMCDB-UHFFFAOYSA-N 0 3 457.384 4.800 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435067857 1064488419 /nfs/dbraw/zinc/48/84/19/1064488419.db2.gz YBVUIXVIIGGZPP-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN CCOc1ccc([C@]2(C(=O)N(CCN(C)C)Cc3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001435080049 1064502193 /nfs/dbraw/zinc/50/21/93/1064502193.db2.gz MTHLLOAEORYASY-QFIPXVFZSA-N 0 3 453.385 4.630 20 0 JJADHN CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001359823058 1064505231 /nfs/dbraw/zinc/50/52/31/1064505231.db2.gz MJHQMIOISHHUJG-NRFANRHFSA-N 0 3 456.997 4.530 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001359834528 1064520748 /nfs/dbraw/zinc/52/07/48/1064520748.db2.gz FUGBYKDNUSMMDS-XMMPIXPASA-N 0 3 453.675 4.709 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)nn4)cc3)cc2)CC1 ZINC001435115553 1064523177 /nfs/dbraw/zinc/52/31/77/1064523177.db2.gz VASVWNJMCQNXKE-UHFFFAOYSA-N 0 3 451.958 4.705 20 0 JJADHN CCSc1ccc(CC(=O)N(CCN(C)C)Cc2ccccc2F)c(Br)c1 ZINC001359844671 1064530888 /nfs/dbraw/zinc/53/08/88/1064530888.db2.gz GYSUFKAWXANJGR-UHFFFAOYSA-N 0 3 453.421 4.833 20 0 JJADHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001359847780 1064534377 /nfs/dbraw/zinc/53/43/77/1064534377.db2.gz WZONYHWCRNMLFU-AWEZNQCLSA-N 0 3 457.771 4.599 20 0 JJADHN Cc1cc(Br)ccc1SCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001359851886 1064539164 /nfs/dbraw/zinc/53/91/64/1064539164.db2.gz RZYNBVHXJBNOHW-UHFFFAOYSA-N 0 3 457.384 4.718 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001359853510 1064540643 /nfs/dbraw/zinc/54/06/43/1064540643.db2.gz LRSLDCCSHLCWOX-UHFFFAOYSA-N 0 3 453.814 4.977 20 0 JJADHN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC001435138951 1064541041 /nfs/dbraw/zinc/54/10/41/1064541041.db2.gz XITDNTKZHHLKPJ-UHFFFAOYSA-N 0 3 451.611 4.607 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001359854337 1064542032 /nfs/dbraw/zinc/54/20/32/1064542032.db2.gz WXPOZXDEOGKIAK-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001359865801 1064555859 /nfs/dbraw/zinc/55/58/59/1064555859.db2.gz JEWJJIHSGWWLGQ-MHZLTWQESA-N 0 3 453.675 4.566 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC001359871766 1064563458 /nfs/dbraw/zinc/56/34/58/1064563458.db2.gz YULYYCDIQFWYRE-UHFFFAOYSA-N 0 3 456.590 4.514 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC001435188771 1064578614 /nfs/dbraw/zinc/57/86/14/1064578614.db2.gz NUMPJVLWQXLZOM-RSXGOPAZSA-N 0 3 457.574 4.612 20 0 JJADHN CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001359903033 1064617404 /nfs/dbraw/zinc/61/74/04/1064617404.db2.gz YMDCVRPYLFOMCN-NHCUHLMSSA-N 0 3 476.065 4.666 20 0 JJADHN CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1cccs1)N(C)C ZINC001359914830 1064634750 /nfs/dbraw/zinc/63/47/50/1064634750.db2.gz OPYFNZSDZMONGS-KRWDZBQOSA-N 0 3 465.465 4.882 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)cc2)CC1 ZINC001359934567 1064677945 /nfs/dbraw/zinc/67/79/45/1064677945.db2.gz MCWDXNKNUALFKF-UHFFFAOYSA-N 0 3 457.574 4.826 20 0 JJADHN O=C(CSCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001435362033 1064724569 /nfs/dbraw/zinc/72/45/69/1064724569.db2.gz ROYGYHFHZPUFJN-VWLOTQADSA-N 0 3 457.039 4.771 20 0 JJADHN CC(C)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359964492 1064738884 /nfs/dbraw/zinc/73/88/84/1064738884.db2.gz XFXDVJCAIKKROE-UHFFFAOYSA-N 0 3 478.479 4.691 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cc(Br)c(F)cc1Cl ZINC001435412998 1064745032 /nfs/dbraw/zinc/74/50/32/1064745032.db2.gz DCMJRXNFTSCUSI-UHFFFAOYSA-N 0 3 454.771 4.783 20 0 JJADHN CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCc2ccccc2C1)C(C)C ZINC001359984908 1064763276 /nfs/dbraw/zinc/76/32/76/1064763276.db2.gz DYDWTBQSQWTFJZ-UHFFFAOYSA-N 0 3 453.034 4.923 20 0 JJADHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)o1 ZINC001435469908 1064776469 /nfs/dbraw/zinc/77/64/69/1064776469.db2.gz BJQBVFJLDVNTPN-UHFFFAOYSA-N 0 3 452.942 4.891 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CCCCCC2)CC1 ZINC001360014702 1064812797 /nfs/dbraw/zinc/81/27/97/1064812797.db2.gz JCADOYPAGHIVLO-UHFFFAOYSA-N 0 3 490.490 4.571 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360014985 1064813996 /nfs/dbraw/zinc/81/39/96/1064813996.db2.gz LNZBFQWSGZZGON-KDYSTLNUSA-N 0 3 487.664 4.667 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360015992 1064814753 /nfs/dbraw/zinc/81/47/53/1064814753.db2.gz VMYANOIOCIBDHT-ICSRJNTNSA-N 0 3 460.464 4.922 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360017308 1064816908 /nfs/dbraw/zinc/81/69/08/1064816908.db2.gz CWNCKIILYLCWQL-PMACEKPBSA-N 0 3 477.600 4.530 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCC2CC2)CC1 ZINC001360017658 1064818673 /nfs/dbraw/zinc/81/86/73/1064818673.db2.gz HJCKGHCWUGGCNE-UHFFFAOYSA-N 0 3 466.855 4.939 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360018082 1064819408 /nfs/dbraw/zinc/81/94/08/1064819408.db2.gz MIWHFNQSMBAXRY-QZTJIDSGSA-N 0 3 496.519 4.752 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001360018895 1064821075 /nfs/dbraw/zinc/82/10/75/1064821075.db2.gz XYWJETARXNZFFR-UHFFFAOYSA-N 0 3 491.080 4.680 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360021187 1064824521 /nfs/dbraw/zinc/82/45/21/1064824521.db2.gz AFGVIIKHAUBNEN-DHIUTWEWSA-N 0 3 453.675 4.953 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCCSC2)CC1 ZINC001360021888 1064825962 /nfs/dbraw/zinc/82/59/62/1064825962.db2.gz URHLWFZZKHBAKR-GOSISDBHSA-N 0 3 478.504 4.629 20 0 JJADHN CC(C)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360024134 1064827022 /nfs/dbraw/zinc/82/70/22/1064827022.db2.gz HCYNNKYWOFPIEZ-FQEVSTJZSA-N 0 3 453.528 4.945 20 0 JJADHN Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cnn1-c1ccncc1 ZINC001360028302 1064830108 /nfs/dbraw/zinc/83/01/08/1064830108.db2.gz AZJMJSSWLHDIHN-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360030269 1064831879 /nfs/dbraw/zinc/83/18/79/1064831879.db2.gz GXXCWKBMTMKJQO-IFMALSPDSA-N 0 3 460.066 4.506 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360032063 1064833601 /nfs/dbraw/zinc/83/36/01/1064833601.db2.gz SDNKBCJUQURFFR-AHKZPQOWSA-N 0 3 467.702 4.683 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001360031631 1064833687 /nfs/dbraw/zinc/83/36/87/1064833687.db2.gz BUDDTYKMIYQXEG-UHFFFAOYSA-N 0 3 459.553 4.679 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360033590 1064836177 /nfs/dbraw/zinc/83/61/77/1064836177.db2.gz DWQIWYQPXDEFDI-XMMPIXPASA-N 0 3 483.701 4.748 20 0 JJADHN O=C(c1nnn(-c2ccccc2)c1C(F)F)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037984 1064848701 /nfs/dbraw/zinc/84/87/01/1064848701.db2.gz ZSZDBOCCXDSAFX-UHFFFAOYSA-N 0 3 459.928 4.597 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599825 1064864310 /nfs/dbraw/zinc/86/43/10/1064864310.db2.gz BZBOUFUZBIQEPO-GOSISDBHSA-N 0 3 459.377 4.963 20 0 JJADHN CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC001360050312 1064874627 /nfs/dbraw/zinc/87/46/27/1064874627.db2.gz ONASDKAIJHVDCC-VWLOTQADSA-N 0 3 496.744 4.555 20 0 JJADHN Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435614049 1064877359 /nfs/dbraw/zinc/87/73/59/1064877359.db2.gz RCIMQFNLEAYYQZ-VWNXMTODSA-N 0 3 452.002 4.533 20 0 JJADHN COc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc(Cl)c1OCC(C)C ZINC001360147703 1065050825 /nfs/dbraw/zinc/05/08/25/1065050825.db2.gz FNTPIIUSSYTJMB-UHFFFAOYSA-N 0 3 455.064 4.865 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)[C@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975760 1065088734 /nfs/dbraw/zinc/08/87/34/1065088734.db2.gz MEKZCJFKVXOQSA-GOTSBHOMSA-N 0 3 458.647 4.631 20 0 JJADHN Cc1csc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1I ZINC001435993169 1065097728 /nfs/dbraw/zinc/09/77/28/1065097728.db2.gz BIDXHXNNPQTZKY-MRXNPFEDSA-N 0 3 456.393 4.548 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001436012151 1065109209 /nfs/dbraw/zinc/10/92/09/1065109209.db2.gz NXGDYKXZMODCNC-UHFFFAOYSA-N 0 3 453.480 4.698 20 0 JJADHN C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056779 1065149347 /nfs/dbraw/zinc/14/93/47/1065149347.db2.gz SSJVUGDFWVUBAJ-SJKOYZFVSA-N 0 3 451.436 4.794 20 0 JJADHN Cc1c2cc(Br)ccc2oc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001360354679 1065203816 /nfs/dbraw/zinc/20/38/16/1065203816.db2.gz AOXCUYAZGHUONY-UHFFFAOYSA-N 0 3 451.430 4.985 20 0 JJADHN CC(C)Oc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360362527 1065218228 /nfs/dbraw/zinc/21/82/28/1065218228.db2.gz SGNHXYIOVJRSMF-ISKFKSNPSA-N 0 3 483.701 4.953 20 0 JJADHN CCCN(C)[C@H](CNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)c1ccc(Cl)cc1 ZINC001436203030 1065248884 /nfs/dbraw/zinc/24/88/84/1065248884.db2.gz USMOBRNWQJRSQF-QGZVFWFLSA-N 0 3 453.896 4.523 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)c1ccc(Cl)cc1 ZINC001436203028 1065248956 /nfs/dbraw/zinc/24/89/56/1065248956.db2.gz USMOBRNWQJRSQF-KRWDZBQOSA-N 0 3 453.896 4.523 20 0 JJADHN Cc1cc(Cl)cc(Br)c1OC(=O)[C@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1 ZINC001436233814 1065270254 /nfs/dbraw/zinc/27/02/54/1065270254.db2.gz GDOXLPKIYJZSKT-DLBZAZTESA-N 0 3 454.796 4.564 20 0 JJADHN COc1cc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)ccc1Br ZINC001436256240 1065276840 /nfs/dbraw/zinc/27/68/40/1065276840.db2.gz ZJZRGBWSGRFMHP-UHFFFAOYSA-N 0 3 453.764 4.836 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)Cc3csc4ccc(Cl)cc34)CC2)cc1 ZINC001436314030 1065295137 /nfs/dbraw/zinc/29/51/37/1065295137.db2.gz CRUUUAVPQPOOJH-UHFFFAOYSA-N 0 3 456.011 4.836 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC001436318956 1065296258 /nfs/dbraw/zinc/29/62/58/1065296258.db2.gz YBLLHOLQWIXLNZ-UHFFFAOYSA-N 0 3 455.649 4.518 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H]3CC[C@@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369862 1065304481 /nfs/dbraw/zinc/30/44/81/1065304481.db2.gz SIJNFGWIGDUJIP-GGAORHGYSA-N 0 3 457.977 4.712 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429373 1065317189 /nfs/dbraw/zinc/31/71/89/1065317189.db2.gz DUJLRBDFJVTTKE-BDYUSTAISA-N 0 3 450.623 4.660 20 0 JJADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360440491 1065324474 /nfs/dbraw/zinc/32/44/74/1065324474.db2.gz SMUJLOYENSBOOX-DDZWFJFGSA-N 0 3 494.690 4.639 20 0 JJADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001436568112 1065369755 /nfs/dbraw/zinc/36/97/55/1065369755.db2.gz VBIQEMMXTWGDMV-CYBMUJFWSA-N 0 3 450.427 4.884 20 0 JJADHN C[C@@H](SCc1ccccc1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436606831 1065396102 /nfs/dbraw/zinc/39/61/02/1065396102.db2.gz ZXGMXMOVNQHXKR-HXUWFJFHSA-N 0 3 458.071 4.775 20 0 JJADHN CCCOc1c(Br)cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1OC ZINC001436930304 1065473896 /nfs/dbraw/zinc/47/38/96/1065473896.db2.gz GGPYDURKJSGWRU-NQIIRXRSSA-N 0 3 473.411 4.593 20 0 JJADHN CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376470 1065544701 /nfs/dbraw/zinc/54/47/01/1065544701.db2.gz KOKNVNRXCZJOTQ-UIOOFZCWSA-N 0 3 450.623 4.645 20 0 JJADHN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001437380523 1065545617 /nfs/dbraw/zinc/54/56/17/1065545617.db2.gz FBOQXDYFSVYUTB-QFIPXVFZSA-N 0 3 453.627 4.541 20 0 JJADHN C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)C1 ZINC001360657827 1065727878 /nfs/dbraw/zinc/72/78/78/1065727878.db2.gz DFGKHKMJASCCMK-NQHRYMMQSA-N 0 3 457.659 4.947 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)c2ccco2)CC1 ZINC001360727042 1065754213 /nfs/dbraw/zinc/75/42/13/1065754213.db2.gz LSUWDXJDKNIAGH-QHCPKHFHSA-N 0 3 478.424 4.673 20 0 JJADHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC001438988765 1065774072 /nfs/dbraw/zinc/77/40/72/1065774072.db2.gz XKZDVRWAIJACSM-QHCPKHFHSA-N 0 3 452.595 4.534 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747625 1065789973 /nfs/dbraw/zinc/78/99/73/1065789973.db2.gz LINCCAFYGICNQI-GMAHTHKFSA-N 0 3 455.643 4.537 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(Cl)nc1 ZINC001360748701 1065790872 /nfs/dbraw/zinc/79/08/72/1065790872.db2.gz DUFPZIQRHXRAAB-KRWDZBQOSA-N 0 3 472.996 4.574 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360749065 1065791627 /nfs/dbraw/zinc/79/16/27/1065791627.db2.gz KZNFCKFEBZSCTN-RXVVDRJESA-N 0 3 495.590 4.540 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001360760050 1065830746 /nfs/dbraw/zinc/83/07/46/1065830746.db2.gz GSCAGAQDSLLUIO-IRFCIJBXSA-N 0 3 476.065 4.543 20 0 JJADHN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001360773170 1065871118 /nfs/dbraw/zinc/87/11/18/1065871118.db2.gz HCQYHVRFNQVGJN-NRFANRHFSA-N 0 3 487.664 4.788 20 0 JJADHN COc1cccc([C@H](CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)N2CCCC2)c1 ZINC001440382973 1065935600 /nfs/dbraw/zinc/93/56/00/1065935600.db2.gz VAAUEMAVTGOXDO-QHCPKHFHSA-N 0 3 451.954 4.683 20 0 JJADHN Cc1sc(C)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1Br ZINC001360848777 1065957834 /nfs/dbraw/zinc/95/78/34/1065957834.db2.gz DUGPGFZNIPCTJF-QGZVFWFLSA-N 0 3 496.519 4.582 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccc(OC)c1 ZINC001440882614 1065988842 /nfs/dbraw/zinc/98/88/42/1065988842.db2.gz SLHUOOQTCCOGNE-VWLOTQADSA-N 0 3 458.562 4.954 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873274 1066008393 /nfs/dbraw/zinc/00/83/93/1066008393.db2.gz GGFZKJDSBFTKGG-DQEYMECFSA-N 0 3 482.717 4.686 20 0 JJADHN Cc1cccc(COc2cccc(C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)c2)c1 ZINC001441247763 1066020035 /nfs/dbraw/zinc/02/00/35/1066020035.db2.gz SXDOYBQXGXAXSM-NDEPHWFRSA-N 0 3 457.618 4.683 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360877091 1066022119 /nfs/dbraw/zinc/02/21/19/1066022119.db2.gz HRSHVBRTYZAPGU-KDYSTLNUSA-N 0 3 497.709 4.925 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccsc1 ZINC001441306558 1066024218 /nfs/dbraw/zinc/02/42/18/1066024218.db2.gz FTANPDZLKMZTPO-FGZHOGPDSA-N 0 3 457.640 4.609 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(Br)c(Cl)c3F)cc2)CC1 ZINC001441311341 1066025004 /nfs/dbraw/zinc/02/50/04/1066025004.db2.gz LBEYOICFOFCPAB-UHFFFAOYSA-N 0 3 454.771 4.631 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC2CCOCC2)c1C ZINC001360878750 1066026935 /nfs/dbraw/zinc/02/69/35/1066026935.db2.gz ZQFFILAAJFBJQU-QHCPKHFHSA-N 0 3 499.700 4.541 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(O[C@@H](C)c4ccccc4)cc3)cc2)CC1 ZINC001441362702 1066034505 /nfs/dbraw/zinc/03/45/05/1066034505.db2.gz CKRWTVAQMOKHPV-QHCPKHFHSA-N 0 3 457.618 4.894 20 0 JJADHN CSc1ccc([C@H](CNC(=O)C(C)(C)N2CCCCC2)N2CCc3sccc3C2)cc1 ZINC001441465628 1066043739 /nfs/dbraw/zinc/04/37/39/1066043739.db2.gz ITEWUEQPUPICKR-QFIPXVFZSA-N 0 3 457.709 4.950 20 0 JJADHN Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCOCC(F)F ZINC001360911144 1066067767 /nfs/dbraw/zinc/06/77/67/1066067767.db2.gz YAFDLZZMBUVGEW-UHFFFAOYSA-N 0 3 490.624 4.579 20 0 JJADHN Cc1ccsc1CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001360924244 1066080189 /nfs/dbraw/zinc/08/01/89/1066080189.db2.gz LJMQBBWKESTSBJ-UHFFFAOYSA-N 0 3 459.610 4.538 20 0 JJADHN Cc1ncsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360925821 1066081803 /nfs/dbraw/zinc/08/18/03/1066081803.db2.gz CGYTTXUZKMZFOW-UHFFFAOYSA-N 0 3 486.661 4.562 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062411 1066088503 /nfs/dbraw/zinc/08/85/03/1066088503.db2.gz LTOMFMHPTWVMCV-RBBKRZOGSA-N 0 3 457.412 4.905 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442063997 1066088687 /nfs/dbraw/zinc/08/86/87/1066088687.db2.gz SCCNBBPOBFISIF-RCZVLFRGSA-N 0 3 457.977 4.952 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071322 1066089737 /nfs/dbraw/zinc/08/97/37/1066089737.db2.gz JKXUJJPEJJYDSX-XZOQPEGZSA-N 0 3 455.643 4.613 20 0 JJADHN CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001442068957 1066089833 /nfs/dbraw/zinc/08/98/33/1066089833.db2.gz FOXFMOCLOOOSPJ-HRAATJIYSA-N 0 3 453.384 4.690 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304292 1066114764 /nfs/dbraw/zinc/11/47/64/1066114764.db2.gz HVILOVCMXPJBRJ-KZNAEPCWSA-N 0 3 454.455 4.952 20 0 JJADHN CCc1c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cnn1-c1ccc(Cl)cc1 ZINC001442550633 1066136233 /nfs/dbraw/zinc/13/62/33/1066136233.db2.gz VCSCTUZUGFNUNY-UHFFFAOYSA-N 0 3 455.027 4.932 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)N2CCCC2)cc1 ZINC001442592599 1066141782 /nfs/dbraw/zinc/14/17/82/1066141782.db2.gz MAEIJQWOWGMEOU-QFIPXVFZSA-N 0 3 458.393 4.509 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)N2CCCC2)cc1 ZINC001442597790 1066142845 /nfs/dbraw/zinc/14/28/45/1066142845.db2.gz ZSGGSTAKAGBBJZ-YIXXDRMTSA-N 0 3 451.611 4.688 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)N2CCCC2)cc1 ZINC001442597787 1066142854 /nfs/dbraw/zinc/14/28/54/1066142854.db2.gz ZSGGSTAKAGBBJZ-WNCULLNHSA-N 0 3 451.611 4.688 20 0 JJADHN C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)OC(C)(C)C ZINC001442719407 1066155300 /nfs/dbraw/zinc/15/53/00/1066155300.db2.gz FKNBQJXVLQZICE-IEBWSBKVSA-N 0 3 471.564 4.631 20 0 JJADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442719370 1066155314 /nfs/dbraw/zinc/15/53/14/1066155314.db2.gz FFJZNWRHYGXTLA-LJQANCHMSA-N 0 3 458.430 4.721 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001360992226 1066171356 /nfs/dbraw/zinc/17/13/56/1066171356.db2.gz LEXHDJOPPWEIFZ-HXUWFJFHSA-N 0 3 488.076 4.956 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360993100 1066172896 /nfs/dbraw/zinc/17/28/96/1066172896.db2.gz YPPGVPOXXDRIAT-JMUQELJHSA-N 0 3 490.092 4.891 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360993101 1066173086 /nfs/dbraw/zinc/17/30/86/1066173086.db2.gz YPPGVPOXXDRIAT-RZFNWQHOSA-N 0 3 490.092 4.891 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001361021551 1066215090 /nfs/dbraw/zinc/21/50/90/1066215090.db2.gz YVMWNLYWALYDNC-HSZRJFAPSA-N 0 3 476.650 4.870 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361022309 1066217496 /nfs/dbraw/zinc/21/74/96/1066217496.db2.gz MMWOYBFXKQIXOZ-UHFFFAOYSA-N 0 3 482.717 4.516 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361023890 1066220644 /nfs/dbraw/zinc/22/06/44/1066220644.db2.gz FQMAABIPNPSCCF-UNMCSNQZSA-N 0 3 483.682 4.842 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031042 1066239570 /nfs/dbraw/zinc/23/95/70/1066239570.db2.gz GEZYUQOTOUHQOX-VWLOTQADSA-N 0 3 496.744 4.905 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CCSC(F)(F)F)c1 ZINC001361036117 1066255162 /nfs/dbraw/zinc/25/51/62/1066255162.db2.gz ZJIVMHPTFOXEIN-UHFFFAOYSA-N 0 3 483.604 4.792 20 0 JJADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001454269986 1066261374 /nfs/dbraw/zinc/26/13/74/1066261374.db2.gz OMFHLTGHCOQPRD-SANMLTNESA-N 0 3 450.579 4.686 20 0 JJADHN Cc1sc2ncnc(SCCC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@@H]3C)c2c1C ZINC001454408323 1066280034 /nfs/dbraw/zinc/28/00/34/1066280034.db2.gz SSXLOACOJXZLET-JXFKEZNVSA-N 0 3 454.665 4.817 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)cc2)CC1 ZINC001361072856 1066313616 /nfs/dbraw/zinc/31/36/16/1066313616.db2.gz SJAIJUVRQZASTD-UHFFFAOYSA-N 0 3 456.015 4.565 20 0 JJADHN Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001454854931 1066336876 /nfs/dbraw/zinc/33/68/76/1066336876.db2.gz SUNMGDYHACMQNQ-VWNXMTODSA-N 0 3 451.611 4.732 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1ccccn1 ZINC001361090140 1066338649 /nfs/dbraw/zinc/33/86/49/1066338649.db2.gz BDXPEEJBVLKECX-UHFFFAOYSA-N 0 3 497.087 4.810 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCCS1 ZINC001361090952 1066339997 /nfs/dbraw/zinc/33/99/97/1066339997.db2.gz LHXLICYDIPFNKH-JOCHJYFZSA-N 0 3 492.133 4.925 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455096808 1066359805 /nfs/dbraw/zinc/35/98/05/1066359805.db2.gz INAGCXCGWBHGBY-AREMUKBSSA-N 0 3 457.615 4.898 20 0 JJADHN CCN1CCN(CCC(=O)Nc2ccc(-c3nc4ccc(F)cc4n3C(C)C)cc2C)CC1 ZINC001444000427 1066393434 /nfs/dbraw/zinc/39/34/34/1066393434.db2.gz JTMGCDUFEBAQMM-UHFFFAOYSA-N 0 3 451.590 4.698 20 0 JJADHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C)CC2)N(C)C)cc1 ZINC001361140937 1066419312 /nfs/dbraw/zinc/41/93/12/1066419312.db2.gz JEFMSJUELQLWCD-KNQAVFIVSA-N 0 3 480.682 4.507 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C)CC2)N(C)C)cc1 ZINC001361140939 1066419385 /nfs/dbraw/zinc/41/93/85/1066419385.db2.gz JEFMSJUELQLWCD-SIKLNZKXSA-N 0 3 480.682 4.507 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)OC(C)(C)C2)N(C)C)cc1 ZINC001361141268 1066420296 /nfs/dbraw/zinc/42/02/96/1066420296.db2.gz LVYXPSULTHTBMB-MZURWIMNSA-N 0 3 483.701 4.812 20 0 JJADHN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141155 1066420315 /nfs/dbraw/zinc/42/03/15/1066420315.db2.gz KPDOHQJAFWRJTQ-OAQYLSRUSA-N 0 3 470.712 4.577 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141653 1066421805 /nfs/dbraw/zinc/42/18/05/1066421805.db2.gz PRDAMQDMTZRPGV-QFIPXVFZSA-N 0 3 452.672 4.872 20 0 JJADHN Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001361142458 1066424164 /nfs/dbraw/zinc/42/41/64/1066424164.db2.gz ZRBCJOKWSVBQAL-IFMALSPDSA-N 0 3 472.559 4.654 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCCC(C)C)c1 ZINC001361155451 1066454327 /nfs/dbraw/zinc/45/43/27/1066454327.db2.gz UJBUXLNKJUZFSK-RUZDIDTESA-N 0 3 482.717 4.515 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCN2CCCCC2)c1 ZINC001361156384 1066458764 /nfs/dbraw/zinc/45/87/64/1066458764.db2.gz UDTKJXXRLXFOSQ-HSZRJFAPSA-N 0 3 469.674 4.744 20 0 JJADHN O=C(CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)Nc1c(F)cccc1F ZINC001444502359 1066468788 /nfs/dbraw/zinc/46/87/88/1066468788.db2.gz LVIOWPVFEXCYFE-UHFFFAOYSA-N 0 3 455.549 4.731 20 0 JJADHN CC(C)(C)C(=O)NC1CCC(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444500262 1066468899 /nfs/dbraw/zinc/46/88/99/1066468899.db2.gz FVBXHKLKLGJENT-UHFFFAOYSA-N 0 3 453.671 4.755 20 0 JJADHN C[C@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506220 1066469566 /nfs/dbraw/zinc/46/95/66/1066469566.db2.gz UFWIOVQJGBIKHW-OAQYLSRUSA-N 0 3 455.643 4.822 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001456006165 1066471159 /nfs/dbraw/zinc/47/11/59/1066471159.db2.gz GNUVZBFLPVZRDL-IBGZPJMESA-N 0 3 457.405 4.858 20 0 JJADHN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444541343 1066473427 /nfs/dbraw/zinc/47/34/27/1066473427.db2.gz MJDOJSUBVLWWJG-OAHLLOKOSA-N 0 3 455.357 4.559 20 0 JJADHN O=C(C/C=C\Cc1ccccc1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001444645094 1066487362 /nfs/dbraw/zinc/48/73/62/1066487362.db2.gz CFJXWEGJTRATRA-PLNGDYQASA-N 0 3 457.412 4.598 20 0 JJADHN O=C(C/C=C/Cc1ccccc1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001444645100 1066487924 /nfs/dbraw/zinc/48/79/24/1066487924.db2.gz CFJXWEGJTRATRA-SNAWJCMRSA-N 0 3 457.412 4.598 20 0 JJADHN CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001545968492 1066492866 /nfs/dbraw/zinc/49/28/66/1066492866.db2.gz GPZPWQFBNJUFJS-NRFANRHFSA-N 0 3 482.673 4.621 20 0 JJADHN CC(C)COc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC001456051321 1066493756 /nfs/dbraw/zinc/49/37/56/1066493756.db2.gz BALFUBMFPIPPGF-UHFFFAOYSA-N 0 3 457.924 4.993 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001456052302 1066493839 /nfs/dbraw/zinc/49/38/39/1066493839.db2.gz DABSINOZRGUZDZ-UHFFFAOYSA-N 0 3 458.002 4.795 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456054378 1066495018 /nfs/dbraw/zinc/49/50/18/1066495018.db2.gz HXTACYCXOKIRBN-IBGZPJMESA-N 0 3 457.043 4.757 20 0 JJADHN Cc1ccc2c(C(=O)N(CCN(C)C)Cc3ccc(F)cc3)cc(-c3cnn(C)c3)nc2c1C ZINC001456058028 1066497303 /nfs/dbraw/zinc/49/73/03/1066497303.db2.gz OXNPRRFEYIPNAF-UHFFFAOYSA-N 0 3 459.569 4.595 20 0 JJADHN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361181456 1066503326 /nfs/dbraw/zinc/50/33/26/1066503326.db2.gz XDUYUGLNJRBERO-FQEVSTJZSA-N 0 3 465.627 4.761 20 0 JJADHN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001444894879 1066516993 /nfs/dbraw/zinc/51/69/93/1066516993.db2.gz TZCPZOJBVYQHEV-GBXCKJPGSA-N 0 3 456.030 4.608 20 0 JJADHN Cc1csc(SCc2ccccc2C(=O)Nc2cccc(CN3CCC(O)CC3)c2)n1 ZINC001444921545 1066518072 /nfs/dbraw/zinc/51/80/72/1066518072.db2.gz KWAXYBPNFBJTTH-UHFFFAOYSA-N 0 3 453.633 4.953 20 0 JJADHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2sc(Br)cc2s1 ZINC001444935497 1066519376 /nfs/dbraw/zinc/51/93/76/1066519376.db2.gz XRVQRKOLTIBDLZ-UHFFFAOYSA-N 0 3 451.411 4.934 20 0 JJADHN Cc1cc(F)cc2c(O)c(C(=O)N(CCN(C)Cc3ccccc3)Cc3ccccc3)cnc12 ZINC001444944720 1066520991 /nfs/dbraw/zinc/52/09/91/1066520991.db2.gz AMVVVLDHYVIOHX-UHFFFAOYSA-N 0 3 457.549 4.750 20 0 JJADHN Cc1cc(CCC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)ccc1Br ZINC001456193119 1066533948 /nfs/dbraw/zinc/53/39/48/1066533948.db2.gz HKVGFGTZAKEVTQ-UHFFFAOYSA-N 0 3 451.449 4.620 20 0 JJADHN CCC(=O)c1cc(C(=O)N(C[C@@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220515 1066557442 /nfs/dbraw/zinc/55/74/42/1066557442.db2.gz TYRRBLNJRAWNRC-GOSISDBHSA-N 0 3 450.476 4.945 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccc(Br)s2)o1 ZINC001361224079 1066561998 /nfs/dbraw/zinc/56/19/98/1066561998.db2.gz IUGDUASVCDALLI-UHFFFAOYSA-N 0 3 478.460 4.691 20 0 JJADHN Cc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)o1 ZINC001361227006 1066565425 /nfs/dbraw/zinc/56/54/25/1066565425.db2.gz DTFCYEXYMRWRQA-RLWLMLJZSA-N 0 3 469.605 4.930 20 0 JJADHN CSc1cccc(N(C(=O)c2cc(Br)c3nccn3c2)C2CCN(C)CC2)c1 ZINC001456345891 1066566331 /nfs/dbraw/zinc/56/63/31/1066566331.db2.gz YGGORVOKPGVDLW-UHFFFAOYSA-N 0 3 459.413 4.560 20 0 JJADHN CC(C)OCCN1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)CC1 ZINC001445466478 1066574616 /nfs/dbraw/zinc/57/46/16/1066574616.db2.gz VUUGXBBILXYJGD-UHFFFAOYSA-N 0 3 455.599 4.806 20 0 JJADHN C[C@H](CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1)N(C)Cc1ccccc1 ZINC001456400597 1066578794 /nfs/dbraw/zinc/57/87/94/1066578794.db2.gz KPPITAKPNHWHBQ-GOSISDBHSA-N 0 3 453.633 4.729 20 0 JJADHN C[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)N(C)Cc1ccccc1 ZINC001456402126 1066579338 /nfs/dbraw/zinc/57/93/38/1066579338.db2.gz QHOIROYVSLNBJP-KRWDZBQOSA-N 0 3 454.368 4.887 20 0 JJADHN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC001361247108 1066589469 /nfs/dbraw/zinc/58/94/69/1066589469.db2.gz PLTKMXJDKZZFNO-JOCHJYFZSA-N 0 3 467.683 4.873 20 0 JJADHN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)o2)cc1 ZINC001456501091 1066602459 /nfs/dbraw/zinc/60/24/59/1066602459.db2.gz RLYPAGXLIIWFQX-QHCPKHFHSA-N 0 3 459.546 4.568 20 0 JJADHN Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001361268643 1066621895 /nfs/dbraw/zinc/62/18/95/1066621895.db2.gz VOVKOSRCUGPAHE-SFHVURJKSA-N 0 3 457.619 4.896 20 0 JJADHN O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001445909127 1066633787 /nfs/dbraw/zinc/63/37/87/1066633787.db2.gz GFBKGJAISHNNFO-RTBURBONSA-N 0 3 471.420 4.748 20 0 JJADHN O=C(NCc1ccc([O-])c(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001445909127 1066633789 /nfs/dbraw/zinc/63/37/89/1066633789.db2.gz GFBKGJAISHNNFO-RTBURBONSA-N 0 3 471.420 4.748 20 0 JJADHN COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001446031697 1066648790 /nfs/dbraw/zinc/64/87/90/1066648790.db2.gz HHQRDDUKYMZJNA-UHFFFAOYSA-N 0 3 458.558 4.597 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC001456648134 1066658091 /nfs/dbraw/zinc/65/80/91/1066658091.db2.gz IHPOOZIWIIIZSF-BJKOFHAPSA-N 0 3 475.589 4.702 20 0 JJADHN CC1=CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001492614206 1066678425 /nfs/dbraw/zinc/67/84/25/1066678425.db2.gz YDYZTQOWDKLTNS-DHIUTWEWSA-N 0 3 455.622 4.624 20 0 JJADHN O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001446243851 1066678799 /nfs/dbraw/zinc/67/87/99/1066678799.db2.gz CQWXKDUHJOPWIX-SANMLTNESA-N 0 3 457.574 4.530 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321852 1066690580 /nfs/dbraw/zinc/69/05/80/1066690580.db2.gz IEWZFUHSGHOSOI-OAQYLSRUSA-N 0 3 453.583 4.705 20 0 JJADHN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@H]2CCCCN2C)c1=S ZINC001456799356 1066693439 /nfs/dbraw/zinc/69/34/39/1066693439.db2.gz QGVDXJCEPGLXRE-LJQANCHMSA-N 0 3 450.052 4.525 20 0 JJADHN Cc1cnc([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492631733 1066708389 /nfs/dbraw/zinc/70/83/89/1066708389.db2.gz QKGWVQJHSHJEPD-INIZCTEOSA-N 0 3 474.625 4.636 20 0 JJADHN Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585795 1066724015 /nfs/dbraw/zinc/72/40/15/1066724015.db2.gz RABJHFIPOAHHLX-RPWUZVMVSA-N 0 3 452.549 4.515 20 0 JJADHN C[C@H](CC(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)C(=O)c1ccccc1 ZINC001446824778 1066745189 /nfs/dbraw/zinc/74/51/89/1066745189.db2.gz QDPFEXRZFJSNPN-HSZRJFAPSA-N 0 3 455.602 4.899 20 0 JJADHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cnccc1C(F)(F)F ZINC001446825120 1066745683 /nfs/dbraw/zinc/74/56/83/1066745683.db2.gz SXEGEHGLGRHNJA-UHFFFAOYSA-N 0 3 454.496 4.717 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647120 1066750991 /nfs/dbraw/zinc/75/09/91/1066750991.db2.gz XTADVQUHAMACLO-FGZHOGPDSA-N 0 3 457.619 4.968 20 0 JJADHN Cc1csc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001492649911 1066757563 /nfs/dbraw/zinc/75/75/63/1066757563.db2.gz TZEMFJXMKDECNS-UHFFFAOYSA-N 0 3 493.450 4.580 20 0 JJADHN CS[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@@H]1N1CCCC1 ZINC001447359361 1066798138 /nfs/dbraw/zinc/79/81/38/1066798138.db2.gz FGXSLKIHEGSCCJ-HKUYNNGSSA-N 0 3 452.407 4.833 20 0 JJADHN O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001457254893 1066798265 /nfs/dbraw/zinc/79/82/65/1066798265.db2.gz XJKHZCYAWGNTDE-ACIAVJDNSA-N 0 3 479.549 4.625 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001492671560 1066802535 /nfs/dbraw/zinc/80/25/35/1066802535.db2.gz ZBECSSPIPGRXLW-HYFFOGBASA-N 0 3 456.635 4.701 20 0 JJADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc3cccc(Br)c32)C1 ZINC001447566263 1066822629 /nfs/dbraw/zinc/82/26/29/1066822629.db2.gz BXCXCIDJCJNIPN-UHFFFAOYSA-N 0 3 453.380 4.984 20 0 JJADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC001447569846 1066823681 /nfs/dbraw/zinc/82/36/81/1066823681.db2.gz WBYDSSCGTSUMQH-UHFFFAOYSA-N 0 3 456.011 4.774 20 0 JJADHN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)cs1 ZINC001492683937 1066827420 /nfs/dbraw/zinc/82/74/20/1066827420.db2.gz MHGFYOBGIGNGNQ-YADHBBJMSA-N 0 3 470.712 4.515 20 0 JJADHN Cc1nc(Cc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)cs1 ZINC001492683936 1066827458 /nfs/dbraw/zinc/82/74/58/1066827458.db2.gz MHGFYOBGIGNGNQ-VXKWHMMOSA-N 0 3 470.712 4.515 20 0 JJADHN CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457533861 1066853527 /nfs/dbraw/zinc/85/35/27/1066853527.db2.gz GQXYOCMWJSSCDX-KRWDZBQOSA-N 0 3 453.327 4.787 20 0 JJADHN CN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457533870 1066853740 /nfs/dbraw/zinc/85/37/40/1066853740.db2.gz GQXYOCMWJSSCDX-QGZVFWFLSA-N 0 3 453.327 4.787 20 0 JJADHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1 ZINC001457552934 1066859178 /nfs/dbraw/zinc/85/91/78/1066859178.db2.gz ACMILXKHRZRAGP-OAQYLSRUSA-N 0 3 452.517 4.951 20 0 JJADHN CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC001447802215 1066862307 /nfs/dbraw/zinc/86/23/07/1066862307.db2.gz PUVLUGKTXNMEIL-UHFFFAOYSA-N 0 3 455.555 4.721 20 0 JJADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630597 1066886210 /nfs/dbraw/zinc/88/62/10/1066886210.db2.gz QNUCTQPGAQNHKD-NHCUHLMSSA-N 0 3 455.357 4.780 20 0 JJADHN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492731223 1066902023 /nfs/dbraw/zinc/90/20/23/1066902023.db2.gz ODYHXSANTYOWIE-RPWUZVMVSA-N 0 3 481.664 4.964 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126882 1066903137 /nfs/dbraw/zinc/90/31/37/1066903137.db2.gz UOJZRFHVDWDOAD-PKTZIBPZSA-N 0 3 451.611 4.798 20 0 JJADHN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001457716849 1066903840 /nfs/dbraw/zinc/90/38/40/1066903840.db2.gz LTMPKYLVELXOCY-YMPZKCBVSA-N 0 3 481.641 4.613 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001492732163 1066904133 /nfs/dbraw/zinc/90/41/33/1066904133.db2.gz JZXGYDKVNQIGJB-RBUKOAKNSA-N 0 3 469.684 4.763 20 0 JJADHN Cc1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC001457742629 1066908497 /nfs/dbraw/zinc/90/84/97/1066908497.db2.gz GXDUVSIZRVJBHU-UHFFFAOYSA-N 0 3 453.587 4.520 20 0 JJADHN Cc1cc(NC(=O)c2csc(Cc3ccccc3F)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC001457749394 1066910705 /nfs/dbraw/zinc/91/07/05/1066910705.db2.gz ZFEBSMMZPRMPNA-UHFFFAOYSA-N 0 3 452.599 4.964 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001492740838 1066916119 /nfs/dbraw/zinc/91/61/19/1066916119.db2.gz KNCTUZIERJMPBV-XMMPIXPASA-N 0 3 479.604 4.590 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(Cl)cc2F)n1 ZINC001492752952 1066926264 /nfs/dbraw/zinc/92/62/64/1066926264.db2.gz GSUQLATYHBUOIB-UHFFFAOYSA-N 0 3 488.055 4.539 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)Cc2cccs2)n1 ZINC001492753106 1066926454 /nfs/dbraw/zinc/92/64/54/1066926454.db2.gz MLTCDSQOPYUXHO-FQEVSTJZSA-N 0 3 483.730 4.638 20 0 JJADHN Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1NC(=O)OC(C)(C)C ZINC001545714031 1066970471 /nfs/dbraw/zinc/97/04/71/1066970471.db2.gz JIUUYRUDUAONNY-UHFFFAOYSA-N 0 3 453.583 4.799 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093306 1066972925 /nfs/dbraw/zinc/97/29/25/1066972925.db2.gz LAHSGTQRIIXRDA-FQEVSTJZSA-N 0 3 453.384 4.962 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094451 1066973172 /nfs/dbraw/zinc/97/31/72/1066973172.db2.gz OZISWVMLFNJTFS-IBGZPJMESA-N 0 3 456.949 4.839 20 0 JJADHN CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545724660 1066981746 /nfs/dbraw/zinc/98/17/46/1066981746.db2.gz VEJQKIUFKGJKPM-URXFXBBRSA-N 0 3 466.699 4.544 20 0 JJADHN CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001458127072 1066983452 /nfs/dbraw/zinc/98/34/52/1066983452.db2.gz ZMKBNMAZRQOREO-OAQYLSRUSA-N 0 3 451.640 4.927 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731544 1066991628 /nfs/dbraw/zinc/99/16/28/1066991628.db2.gz PVNYJEOQXOYKIV-WOIUINJBSA-N 0 3 453.034 4.836 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731543 1066991661 /nfs/dbraw/zinc/99/16/61/1066991661.db2.gz PVNYJEOQXOYKIV-NNMXDRDESA-N 0 3 453.034 4.836 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731969 1066992454 /nfs/dbraw/zinc/99/24/54/1066992454.db2.gz VSJSNBRKSCFLEJ-WPFOTENUSA-N 0 3 461.658 4.636 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738126 1067002131 /nfs/dbraw/zinc/00/21/31/1067002131.db2.gz CFLQXHDIQOBTIJ-ZCYQVOJMSA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545746905 1067015553 /nfs/dbraw/zinc/01/55/53/1067015553.db2.gz WZWRWGUALZRTAL-GMKZXUHWSA-N 0 3 494.709 4.537 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545750044 1067021927 /nfs/dbraw/zinc/02/19/27/1067021927.db2.gz XJUZITTXFRDXNG-DMDYGQEQSA-N 0 3 466.718 4.718 20 0 JJADHN CN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888823 1067034163 /nfs/dbraw/zinc/03/41/63/1067034163.db2.gz BZJFZKPEIMEDNR-QHCPKHFHSA-N 0 3 454.014 4.678 20 0 JJADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545759412 1067042888 /nfs/dbraw/zinc/04/28/88/1067042888.db2.gz XTUHASUYOAWQJY-DHLKQENFSA-N 0 3 483.701 4.572 20 0 JJADHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001458387940 1067048219 /nfs/dbraw/zinc/04/82/19/1067048219.db2.gz QHYVGRHGCHZZPN-BUVFEPMLSA-N 0 3 454.920 4.987 20 0 JJADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123754 1067051391 /nfs/dbraw/zinc/05/13/91/1067051391.db2.gz ZIQLCLZDRADXDB-JOCHJYFZSA-N 0 3 457.412 4.856 20 0 JJADHN CSc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)N(C)C)cc1 ZINC001450132520 1067051789 /nfs/dbraw/zinc/05/17/89/1067051789.db2.gz PXHOMMIEISDSBY-RXVVDRJESA-N 0 3 454.665 4.654 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)CSc2ccc(Br)cc2C)N(C)C)cc1 ZINC001450129830 1067052197 /nfs/dbraw/zinc/05/21/97/1067052197.db2.gz NWBUSKHIUCZYRJ-GOSISDBHSA-N 0 3 453.471 4.991 20 0 JJADHN CCOc1ccc(-c2nc(CC(=O)NC[C@H](c3ccc(SC)cc3)N(C)C)cs2)cc1 ZINC001450138115 1067052629 /nfs/dbraw/zinc/05/26/29/1067052629.db2.gz VXZYOTWJXPAVAZ-JOCHJYFZSA-N 0 3 455.649 4.892 20 0 JJADHN COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001450154041 1067054941 /nfs/dbraw/zinc/05/49/41/1067054941.db2.gz TWCXFTNTRHNRHQ-RUZDIDTESA-N 0 3 459.590 4.553 20 0 JJADHN COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001450158002 1067056119 /nfs/dbraw/zinc/05/61/19/1067056119.db2.gz WRQYEZFIIUPGRH-VWLOTQADSA-N 0 3 459.590 4.553 20 0 JJADHN CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C ZINC001450160452 1067056288 /nfs/dbraw/zinc/05/62/88/1067056288.db2.gz ZIPUWEXCFOHNET-AREMUKBSSA-N 0 3 456.590 4.655 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001545773991 1067064163 /nfs/dbraw/zinc/06/41/63/1067064163.db2.gz AGCLIDXSDAIZJU-JOCHJYFZSA-N 0 3 483.701 4.606 20 0 JJADHN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)SC ZINC001545775952 1067069982 /nfs/dbraw/zinc/06/99/82/1067069982.db2.gz QGJPFWRMTRMOTR-HSZRJFAPSA-N 0 3 484.758 4.780 20 0 JJADHN CCOC(=O)c1sc2nc(C)nc(N3CCN(Cc4ccccc4)C[C@@H]3C(C)C)c2c1C ZINC001458497595 1067074907 /nfs/dbraw/zinc/07/49/07/1067074907.db2.gz UPBJRDLCUNYXHD-HXUWFJFHSA-N 0 3 452.624 4.832 20 0 JJADHN CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@@H]3CCCCN3Cc3cccc(C)c3)CC2)cc1 ZINC001450415970 1067079160 /nfs/dbraw/zinc/07/91/60/1067079160.db2.gz RPPDLMBIAGZXKJ-RRPNLBNLSA-N 0 3 450.623 4.720 20 0 JJADHN CCC(O)(CC)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(CC(C)C)CC1 ZINC001546023142 1067082721 /nfs/dbraw/zinc/08/27/21/1067082721.db2.gz XKAJFTIRGFEQFT-UHFFFAOYSA-N 0 3 482.698 4.706 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628485 1067098521 /nfs/dbraw/zinc/09/85/21/1067098521.db2.gz JLHVBMHWLRMOMY-DYESRHJHSA-N 0 3 453.380 4.618 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626488 1067098689 /nfs/dbraw/zinc/09/86/89/1067098689.db2.gz HGNAAGYZKYEKQK-LAUBAEHRSA-N 0 3 458.002 4.866 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(Br)o2)CC1 ZINC001450689444 1067104012 /nfs/dbraw/zinc/10/40/12/1067104012.db2.gz GNDJXACUESJFFA-UHFFFAOYSA-N 0 3 456.178 4.541 20 0 JJADHN CC(C)[C@@H]1C[C@H](CC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CCO1 ZINC001450698381 1067105973 /nfs/dbraw/zinc/10/59/73/1067105973.db2.gz XVRNRQJFNPMRLV-GCJKJVERSA-N 0 3 451.449 4.713 20 0 JJADHN CN(CCCN(C)C(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F)Cc1ccncc1 ZINC001450730721 1067112222 /nfs/dbraw/zinc/11/22/22/1067112222.db2.gz SXJCSXKPQOTWQF-UHFFFAOYSA-N 0 3 455.553 4.572 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1)N1CCOCC1 ZINC001545804906 1067117383 /nfs/dbraw/zinc/11/73/83/1067117383.db2.gz DPUSAGGBODDKEQ-CVDCTZTESA-N 0 3 491.627 4.920 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1)N(C)C ZINC001545805421 1067119667 /nfs/dbraw/zinc/11/96/67/1067119667.db2.gz MWHIPQYPMXNFHM-DEOSSOPVSA-N 0 3 489.730 4.587 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(CC)C1)N1CCOCC1 ZINC001545805668 1067121071 /nfs/dbraw/zinc/12/10/71/1067121071.db2.gz QKDHQILQRKGIIO-SQHAQQRYSA-N 0 3 469.674 4.717 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)N(C)C)cc1 ZINC001450794273 1067121800 /nfs/dbraw/zinc/12/18/00/1067121800.db2.gz FZGRJRNRCFFVLR-QFIPXVFZSA-N 0 3 457.659 4.832 20 0 JJADHN COc1c(Br)ccc(F)c1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450800630 1067122675 /nfs/dbraw/zinc/12/26/75/1067122675.db2.gz MUCZOQNMUXCGDK-IBGZPJMESA-N 0 3 451.380 4.828 20 0 JJADHN Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450802743 1067123411 /nfs/dbraw/zinc/12/34/11/1067123411.db2.gz NOASOBYTDNNFKY-HXUWFJFHSA-N 0 3 457.416 4.636 20 0 JJADHN COC(=O)C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC001450803100 1067123420 /nfs/dbraw/zinc/12/34/20/1067123420.db2.gz OLOSCDWWAJICCE-KDYSTLNUSA-N 0 3 458.602 4.903 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)F)C1)N1CCOCC1 ZINC001545807964 1067130943 /nfs/dbraw/zinc/13/09/43/1067130943.db2.gz QBWXEGHTARHFBW-JTHBVZDNSA-N 0 3 491.627 4.572 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001545808202 1067132249 /nfs/dbraw/zinc/13/22/49/1067132249.db2.gz UQUZPBZSEOJWIP-OFVILXPXSA-N 0 3 483.701 4.963 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001545808203 1067132367 /nfs/dbraw/zinc/13/23/67/1067132367.db2.gz UQUZPBZSEOJWIP-PXDATVDWSA-N 0 3 483.701 4.963 20 0 JJADHN CCCCCC[C@H](O)CCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450908597 1067135346 /nfs/dbraw/zinc/13/53/46/1067135346.db2.gz SHESCPPBQVVVRC-DEOSSOPVSA-N 0 3 450.067 4.565 20 0 JJADHN CCc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1 ZINC001451308509 1067158586 /nfs/dbraw/zinc/15/85/86/1067158586.db2.gz XTKOSCYRRYIKRA-UHFFFAOYSA-N 0 3 451.611 4.538 20 0 JJADHN CC(C)([C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458839941 1067167429 /nfs/dbraw/zinc/16/74/29/1067167429.db2.gz VLDFLCSWDHJOAD-QFIPXVFZSA-N 0 3 456.562 4.758 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)on1 ZINC001545823518 1067167577 /nfs/dbraw/zinc/16/75/77/1067167577.db2.gz OWFYDXUOODGOBP-RTBURBONSA-N 0 3 496.656 4.821 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001545835142 1067186548 /nfs/dbraw/zinc/18/65/48/1067186548.db2.gz MUMXZISFIIHZPY-GOSISDBHSA-N 0 3 494.606 4.584 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545848852 1067201685 /nfs/dbraw/zinc/20/16/85/1067201685.db2.gz GZSBIKDBOGMMMK-PQNGQFLHSA-N 0 3 466.674 4.658 20 0 JJADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970499 1067213069 /nfs/dbraw/zinc/21/30/69/1067213069.db2.gz BUWBOHNFDMZEAX-IBGZPJMESA-N 0 3 458.389 4.805 20 0 JJADHN CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001458973142 1067213840 /nfs/dbraw/zinc/21/38/40/1067213840.db2.gz KNTDTAOREZKRLE-IBGZPJMESA-N 0 3 453.970 4.578 20 0 JJADHN CCC(O)(CC)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001546043393 1067246068 /nfs/dbraw/zinc/24/60/68/1067246068.db2.gz RDDWBJHGHNCIMU-UHFFFAOYSA-N 0 3 467.702 4.857 20 0 JJADHN CCN(CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC001453171118 1067285955 /nfs/dbraw/zinc/28/59/55/1067285955.db2.gz PMIPJNZQAMMCQU-UHFFFAOYSA-N 0 3 458.002 4.580 20 0 JJADHN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC001459411848 1067316699 /nfs/dbraw/zinc/31/66/99/1067316699.db2.gz BTMXIVGCGXDCQS-HNNXBMFYSA-N 0 3 459.363 4.870 20 0 JJADHN CN(CCN1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001459452601 1067327101 /nfs/dbraw/zinc/32/71/01/1067327101.db2.gz XJYDTXMPULJNOF-UHFFFAOYSA-N 0 3 459.478 4.974 20 0 JJADHN O=C(NCC(F)(F)c1ccc(Br)cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001453882015 1067333895 /nfs/dbraw/zinc/33/38/95/1067333895.db2.gz FVMXIVDFQXXNKU-MRXNPFEDSA-N 0 3 455.318 4.708 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510682 1067341653 /nfs/dbraw/zinc/34/16/53/1067341653.db2.gz DARJFHJTTSHQBM-ZLNRFVROSA-N 0 3 459.631 4.755 20 0 JJADHN CCCN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001459672668 1067379470 /nfs/dbraw/zinc/37/94/70/1067379470.db2.gz BMSQAPTYRUYQJK-UHFFFAOYSA-N 0 3 457.571 4.740 20 0 JJADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686300 1067383588 /nfs/dbraw/zinc/38/35/88/1067383588.db2.gz NJXPOHIPFDFFQH-FCHUYYIVSA-N 0 3 456.583 4.734 20 0 JJADHN O=C(CCN1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC001459692384 1067385488 /nfs/dbraw/zinc/38/54/88/1067385488.db2.gz CEBFWCWJRVULDE-UHFFFAOYSA-N 0 3 457.496 4.716 20 0 JJADHN CC(C)(C)OC(=O)N1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699144 1067387800 /nfs/dbraw/zinc/38/78/00/1067387800.db2.gz PNTQSGHDAZXUIQ-HXUWFJFHSA-N 0 3 456.549 4.864 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@H](CN2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714269 1067393061 /nfs/dbraw/zinc/39/30/61/1067393061.db2.gz ADDMAIKLBZJECC-PZJWPPBQSA-N 0 3 455.599 4.664 20 0 JJADHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722946 1067395933 /nfs/dbraw/zinc/39/59/33/1067395933.db2.gz UDAWZOAXSUDYNQ-RXFWQSSRSA-N 0 3 458.647 4.679 20 0 JJADHN COc1cc(-c2noc(CN(CCc3cccc(F)c3)C3CCCC3)n2)cc(OC)c1OC ZINC001459769428 1067414935 /nfs/dbraw/zinc/41/49/35/1067414935.db2.gz HBYVYYKNIFZGJV-UHFFFAOYSA-N 0 3 455.530 4.889 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459784855 1067420956 /nfs/dbraw/zinc/42/09/56/1067420956.db2.gz GNZKBFIBXFRYAO-RBTNQOKQSA-N 0 3 455.602 4.842 20 0 JJADHN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC001459806679 1067431586 /nfs/dbraw/zinc/43/15/86/1067431586.db2.gz LCQLAKBQBPWJEE-JOCHJYFZSA-N 0 3 451.611 4.630 20 0 JJADHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC001459816340 1067436062 /nfs/dbraw/zinc/43/60/62/1067436062.db2.gz GJRXLGBXFVBWBV-FQEVSTJZSA-N 0 3 451.880 4.865 20 0 JJADHN CCOC(=O)C1C(CN[C@H](c2ccccc2C)C2CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833203 1067444885 /nfs/dbraw/zinc/44/48/85/1067444885.db2.gz JFGCIULODKPBAY-XZOQPEGZSA-N 0 3 453.970 4.560 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC001459837065 1067446821 /nfs/dbraw/zinc/44/68/21/1067446821.db2.gz UYQPDTQWRASQNA-JOCHJYFZSA-N 0 3 458.400 4.657 20 0 JJADHN CC(C)(C)C[C@@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001459840985 1067448573 /nfs/dbraw/zinc/44/85/73/1067448573.db2.gz CIRFTLLNVVZUDP-HSZRJFAPSA-N 0 3 456.030 4.959 20 0 JJADHN C[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC001459842698 1067449628 /nfs/dbraw/zinc/44/96/28/1067449628.db2.gz JRIKSJZLEHFSGG-AWEZNQCLSA-N 0 3 455.393 4.518 20 0 JJADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844364 1067451201 /nfs/dbraw/zinc/45/12/01/1067451201.db2.gz RZFQTKFGTYNKCC-GCURPNFYSA-N 0 3 459.558 4.504 20 0 JJADHN C[C@H](N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866756 1067464142 /nfs/dbraw/zinc/46/41/42/1067464142.db2.gz VKBUBRGEZILHSX-KPZWWZAWSA-N 0 3 457.290 4.994 20 0 JJADHN C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867720 1067464749 /nfs/dbraw/zinc/46/47/49/1067464749.db2.gz LCTRIBBYESUTFB-JTSKRJEESA-N 0 3 459.512 4.674 20 0 JJADHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870415 1067467361 /nfs/dbraw/zinc/46/73/61/1067467361.db2.gz NRWPGDMZEUGKBM-LLSQANQASA-N 0 3 454.739 4.870 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001546112448 1067472295 /nfs/dbraw/zinc/47/22/95/1067472295.db2.gz RORXBSQBYVYDTQ-FQEVSTJZSA-N 0 3 455.676 4.521 20 0 JJADHN CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459898437 1067478686 /nfs/dbraw/zinc/47/86/86/1067478686.db2.gz DIAVNFPXMUOBJF-OAQYLSRUSA-N 0 3 455.400 4.519 20 0 JJADHN Cc1ccc([C@H](CC(F)(F)F)NCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC001459905674 1067483072 /nfs/dbraw/zinc/48/30/72/1067483072.db2.gz LEJJHLVRAXAETA-INIZCTEOSA-N 0 3 453.530 4.646 20 0 JJADHN Cc1ccc([C@H](CC(F)(F)F)NC[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908043 1067484082 /nfs/dbraw/zinc/48/40/82/1067484082.db2.gz RZWMOGAYFJRIDN-GMAHTHKFSA-N 0 3 450.501 4.742 20 0 JJADHN CC(C)[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919651 1067491350 /nfs/dbraw/zinc/49/13/50/1067491350.db2.gz BOJMTLQLCCPGSW-QHCPKHFHSA-N 0 3 450.023 4.953 20 0 JJADHN CCCN(C)[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942161 1067500695 /nfs/dbraw/zinc/50/06/95/1067500695.db2.gz LAHXHADTMLMTIL-LJQANCHMSA-N 0 3 456.940 4.633 20 0 JJADHN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945703 1067502375 /nfs/dbraw/zinc/50/23/75/1067502375.db2.gz SSQRRCRVSSIWHD-HHHXNRCGSA-N 0 3 454.574 4.891 20 0 JJADHN CC(C)N1C(=O)C[C@@H](NC[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459947649 1067502588 /nfs/dbraw/zinc/50/25/88/1067502588.db2.gz BDILCLLUZKMKIM-SFHLNBCPSA-N 0 3 458.883 4.872 20 0 JJADHN CC(C)[C@@](C)(NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949287 1067504025 /nfs/dbraw/zinc/50/40/25/1067504025.db2.gz KPNDQVIWWXXYLI-OYHNWAKOSA-N 0 3 453.371 4.936 20 0 JJADHN Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958658 1067507078 /nfs/dbraw/zinc/50/70/78/1067507078.db2.gz GWPSVIPISRTHDG-MSOLQXFVSA-N 0 3 455.400 4.846 20 0 JJADHN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@@H](CC(F)(F)F)C(C)C)cc2)cc1 ZINC001459967423 1067510442 /nfs/dbraw/zinc/51/04/42/1067510442.db2.gz WSMZJLAWPVKMAS-FQEVSTJZSA-N 0 3 451.489 4.843 20 0 JJADHN O=S(=O)(CCCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001459989107 1067516680 /nfs/dbraw/zinc/51/66/80/1067516680.db2.gz KTGCAARTZWZGEK-QFIPXVFZSA-N 0 3 459.409 4.582 20 0 JJADHN CC[C@]1(CO)CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000875 1067522009 /nfs/dbraw/zinc/52/20/09/1067522009.db2.gz TUZBMYVLXSHVMJ-SANMLTNESA-N 0 3 451.636 4.823 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC001460017013 1067529237 /nfs/dbraw/zinc/52/92/37/1067529237.db2.gz NKJACEHBPKQHEL-HBMCJLEFSA-N 0 3 450.501 4.732 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042117 1067536994 /nfs/dbraw/zinc/53/69/94/1067536994.db2.gz RDYPNKHCKMNTLC-JFTIXFDTSA-N 0 3 453.652 4.964 20 0 JJADHN CCCC[C@@](C)(NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC001460048754 1067539333 /nfs/dbraw/zinc/53/93/33/1067539333.db2.gz DWDJSWAXTXEKJG-OAQYLSRUSA-N 0 3 453.446 4.895 20 0 JJADHN COC(=O)c1ccc(OC)c(CN2CCC[C@@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055075 1067540350 /nfs/dbraw/zinc/54/03/50/1067540350.db2.gz YALQERKNWIYVRY-GOSISDBHSA-N 0 3 452.576 4.994 20 0 JJADHN CCN(C(=O)CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](C)c1ccc(F)cc1 ZINC001460073994 1067546351 /nfs/dbraw/zinc/54/63/51/1067546351.db2.gz VXBKLALPXRXTBP-UZUQRXQVSA-N 0 3 452.492 4.745 20 0 JJADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC001460075298 1067547115 /nfs/dbraw/zinc/54/71/15/1067547115.db2.gz LZBBJTMKVGHPEJ-UHFFFAOYSA-N 0 3 455.755 4.896 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC001460087391 1067550830 /nfs/dbraw/zinc/55/08/30/1067550830.db2.gz ZSITZGICJSPDPF-MHZLTWQESA-N 0 3 455.593 4.591 20 0 JJADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460104587 1067555844 /nfs/dbraw/zinc/55/58/44/1067555844.db2.gz KSRSUGCEGKUGCA-UXHICEINSA-N 0 3 477.424 4.860 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC001460115898 1067558453 /nfs/dbraw/zinc/55/84/53/1067558453.db2.gz AYRXIZZTZAOSPQ-HNNXBMFYSA-N 0 3 453.327 4.645 20 0 JJADHN C[C@@H](NC1(Cc2ccc(F)cc2Br)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC001460137391 1067562788 /nfs/dbraw/zinc/56/27/88/1067562788.db2.gz MUCKQPBAYOPOOY-MRXNPFEDSA-N 0 3 459.363 4.611 20 0 JJADHN O[C@@H](COc1cc(F)cc(Br)c1)CN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150581 1067565761 /nfs/dbraw/zinc/56/57/61/1067565761.db2.gz INIWUZWJPIEPPG-QPPBQGQZSA-N 0 3 456.355 4.976 20 0 JJADHN O=C(CCN1CCC[C@@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183714 1067573972 /nfs/dbraw/zinc/57/39/72/1067573972.db2.gz VDXYHTFTAIBHMR-GDLZYMKVSA-N 0 3 456.586 4.563 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC001460214600 1067581051 /nfs/dbraw/zinc/58/10/51/1067581051.db2.gz WNYOSNDNVCHPKH-UHFFFAOYSA-N 0 3 453.892 4.712 20 0 JJADHN CCCC[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)Nc1cc(C)on1 ZINC001460222215 1067583492 /nfs/dbraw/zinc/58/34/92/1067583492.db2.gz QQVMMCQHTKBFPU-ISJGIBHGSA-N 0 3 464.585 4.877 20 0 JJADHN O=C(CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)N[C@@H](c1ccccc1)C1CCCC1 ZINC001460234503 1067586584 /nfs/dbraw/zinc/58/65/84/1067586584.db2.gz JUMLPNNACQTATL-ARNLJNQMSA-N 0 3 459.556 4.654 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CN2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001460244013 1067589897 /nfs/dbraw/zinc/58/98/97/1067589897.db2.gz WYCKWAFRJZKXLQ-GXKRZCMTSA-N 0 3 477.621 4.812 20 0 JJADHN C[C@H]1CC2(CN1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279172 1067596518 /nfs/dbraw/zinc/59/65/18/1067596518.db2.gz YCQSPBDXJZFBDT-QFBILLFUSA-N 0 3 453.421 4.594 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317544 1067606365 /nfs/dbraw/zinc/60/63/65/1067606365.db2.gz LQGMPGSYHFWYAO-TYCQWZJGSA-N 0 3 456.986 4.785 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC001460319348 1067607309 /nfs/dbraw/zinc/60/73/09/1067607309.db2.gz VSUPHYVFYDPHCA-YZGWKJHDSA-N 0 3 456.599 4.984 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325978 1067608550 /nfs/dbraw/zinc/60/85/50/1067608550.db2.gz PVISODMUVTZZPG-VWLOTQADSA-N 0 3 450.623 4.582 20 0 JJADHN CC(C)c1nnc(CC2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC001460332823 1067609925 /nfs/dbraw/zinc/60/99/25/1067609925.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 0 3 457.928 4.882 20 0 JJADHN C[C@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338414 1067611495 /nfs/dbraw/zinc/61/14/95/1067611495.db2.gz MJGBWKGMXFFUNG-NWVWQQAFSA-N 0 3 459.030 4.799 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@H](CN2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001460356195 1067616476 /nfs/dbraw/zinc/61/64/76/1067616476.db2.gz NGGRTXYUUOVHQH-SFHVURJKSA-N 0 3 452.437 4.608 20 0 JJADHN COC(=O)c1ccc(F)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)cc2)c1 ZINC001460394879 1067625738 /nfs/dbraw/zinc/62/57/38/1067625738.db2.gz ZBRUOWLSTZLPEG-GMAHTHKFSA-N 0 3 472.557 4.504 20 0 JJADHN CC(C)[C@@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001460428477 1067633131 /nfs/dbraw/zinc/63/31/31/1067633131.db2.gz GXSWQJKCNABOQR-PKTZIBPZSA-N 0 3 456.428 4.545 20 0 JJADHN CC(C)[C@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001460428480 1067633225 /nfs/dbraw/zinc/63/32/25/1067633225.db2.gz GXSWQJKCNABOQR-XZOQPEGZSA-N 0 3 456.428 4.545 20 0 JJADHN O=C(Nc1nc(CC(F)(F)F)cs1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001460433614 1067633982 /nfs/dbraw/zinc/63/39/82/1067633982.db2.gz HVLGDNVYXAUCHV-HZPDHXFCSA-N 0 3 452.527 4.559 20 0 JJADHN COc1ccc(N=c2scc(CN3CC[C@H](C)[C@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501907 1067645750 /nfs/dbraw/zinc/64/57/50/1067645750.db2.gz FCOXTJAQTFUPRP-ONTIZHBOSA-N 0 3 451.636 4.850 20 0 JJADHN CC[C@@](C)(NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC001460598576 1067665990 /nfs/dbraw/zinc/66/59/90/1067665990.db2.gz NQNCSLKBKAKOFN-JOCHJYFZSA-N 0 3 453.480 4.535 20 0 JJADHN CCOC(=O)C1C(CN[C@@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600648 1067667177 /nfs/dbraw/zinc/66/71/77/1067667177.db2.gz FUWYTBJGFLCVKY-URXFXBBRSA-N 0 3 459.949 4.565 20 0 JJADHN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC001460636938 1067680529 /nfs/dbraw/zinc/68/05/29/1067680529.db2.gz LBBIHSRPJSXJRZ-AUSIDOKSSA-N 0 3 459.556 4.916 20 0 JJADHN COc1cccc([C@H]2CCN(CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720009 1067708911 /nfs/dbraw/zinc/70/89/11/1067708911.db2.gz QBRIRUFLIXLMLJ-PKTZIBPZSA-N 0 3 452.595 4.644 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750838 1067715486 /nfs/dbraw/zinc/71/54/86/1067715486.db2.gz WVLZGCRETKRQAV-OFNKIYASSA-N 0 3 453.631 4.953 20 0 JJADHN O=C(COc1ccc(F)cc1Cl)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460765614 1067719894 /nfs/dbraw/zinc/71/98/94/1067719894.db2.gz QQTOTRNQQVQYHK-JTHBVZDNSA-N 0 3 456.920 4.781 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822399 1067729645 /nfs/dbraw/zinc/72/96/45/1067729645.db2.gz SXJWJNICGIKGSQ-PGRDOPGGSA-N 0 3 459.414 4.599 20 0 JJADHN COCc1ccc(CN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001460848401 1067734215 /nfs/dbraw/zinc/73/42/15/1067734215.db2.gz XLCPYBOSSQXJSX-UHFFFAOYSA-N 0 3 452.595 4.997 20 0 JJADHN CC(C)Oc1ccc(CCNC(=O)CN2CCC[C@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870871 1067739084 /nfs/dbraw/zinc/73/90/84/1067739084.db2.gz IILUHOXDTZGMBS-QFIPXVFZSA-N 0 3 459.428 4.602 20 0 JJADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN[C@H](C)c2csc3ccccc32)ccc1C ZINC001460913888 1067747036 /nfs/dbraw/zinc/74/70/36/1067747036.db2.gz JNPBFRAJZFNAEW-QGZVFWFLSA-N 0 3 459.637 4.530 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@@H](C)Cc1cccnc1 ZINC001460928569 1067749904 /nfs/dbraw/zinc/74/99/04/1067749904.db2.gz HCLUCXUFSHTMAT-HNNXBMFYSA-N 0 3 457.983 4.800 20 0 JJADHN CC(C)c1nn(C)c(Cl)c1CNCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001461031241 1067765455 /nfs/dbraw/zinc/76/54/55/1067765455.db2.gz XPCOYEWUCQFTQR-UHFFFAOYSA-N 0 3 457.972 4.518 20 0 JJADHN CCOCCOCc1cccc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001461043744 1067768626 /nfs/dbraw/zinc/76/86/26/1067768626.db2.gz VNBQRKIULYLZIG-UHFFFAOYSA-N 0 3 454.611 4.823 20 0 JJADHN C[C@H]1CN([C@@H](CNCc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053123 1067770773 /nfs/dbraw/zinc/77/07/73/1067770773.db2.gz ZZLPVJWPJTYUTJ-DJJJIMSYSA-N 0 3 459.762 4.932 20 0 JJADHN Brc1ccc(-n2cc(CNCCOc3cccc(Br)c3)cn2)cc1 ZINC001461091572 1067780318 /nfs/dbraw/zinc/78/03/18/1067780318.db2.gz LOIVNJOGUGZXBS-UHFFFAOYSA-N 0 3 451.162 4.566 20 0 JJADHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(F)cc3C)o2)s1 ZINC001461162622 1067791401 /nfs/dbraw/zinc/79/14/01/1067791401.db2.gz VPEWSEVDNKBZJQ-UHFFFAOYSA-N 0 3 450.601 4.818 20 0 JJADHN COc1cccc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1OC(C)C ZINC001461222568 1067803053 /nfs/dbraw/zinc/80/30/53/1067803053.db2.gz NEAVJKBHBZJCOI-UHFFFAOYSA-N 0 3 451.533 4.543 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461240956 1067807903 /nfs/dbraw/zinc/80/79/03/1067807903.db2.gz XZOQNOSBLWJBSS-XCLFUZPHSA-N 0 3 452.755 4.947 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNCCc3nc(C(F)(F)F)cs3)o2)C1 ZINC001461249990 1067810060 /nfs/dbraw/zinc/81/00/60/1067810060.db2.gz BXWJHQFFNQYAIR-CQSZACIVSA-N 0 3 459.534 4.645 20 0 JJADHN O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001461337079 1067832533 /nfs/dbraw/zinc/83/25/33/1067832533.db2.gz YURMGNBNAFXUSZ-RBUKOAKNSA-N 0 3 453.435 4.880 20 0 JJADHN COc1cc(CNCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)cc2ccccc21 ZINC001461356691 1067837153 /nfs/dbraw/zinc/83/71/53/1067837153.db2.gz XWGUBMPHSKVOPK-UHFFFAOYSA-N 0 3 452.620 4.700 20 0 JJADHN COc1ccc([C@@H](OC)[C@H](C)NCc2cc(Br)cc(Br)c2N)cc1 ZINC001461379961 1067842434 /nfs/dbraw/zinc/84/24/34/1067842434.db2.gz KWFNHNOIMPMKIS-VOJFVSQTSA-N 0 3 458.194 4.668 20 0 JJADHN CCO[C@H]1C[C@@](CO)(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430828 1067854533 /nfs/dbraw/zinc/85/45/33/1067854533.db2.gz ADHOPOXBLLRBHN-REWPJTCUSA-N 0 3 451.394 4.901 20 0 JJADHN COc1cc(CN[C@H](Cc2ccccn2)c2ccc(Br)cc2)cc2c1OCCO2 ZINC001461444336 1067858093 /nfs/dbraw/zinc/85/80/93/1067858093.db2.gz LZLAQALXIUTVHS-HXUWFJFHSA-N 0 3 455.352 4.698 20 0 JJADHN CN(C)C(=O)COc1ccccc1CN[C@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001461451738 1067859804 /nfs/dbraw/zinc/85/98/04/1067859804.db2.gz AXQIOWHOLCSYBC-QFIPXVFZSA-N 0 3 453.583 4.668 20 0 JJADHN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@H](C)CNC(=O)OC(C)(C)C ZINC001461457784 1067861366 /nfs/dbraw/zinc/86/13/66/1067861366.db2.gz XTYBBRKDHBIANO-OAHLLOKOSA-N 0 3 451.409 4.761 20 0 JJADHN C[C@@](O)(CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1Br ZINC001461460026 1067862289 /nfs/dbraw/zinc/86/22/89/1067862289.db2.gz CTCHQXKQBBXMKI-LJQANCHMSA-N 0 3 454.290 4.651 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNC[C@@H](CO)CC1CCOCC1 ZINC001461466555 1067864135 /nfs/dbraw/zinc/86/41/35/1067864135.db2.gz VHEMCVSSHYILFB-NRFANRHFSA-N 0 3 453.558 4.627 20 0 JJADHN COc1cc(OC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)ccc1Br ZINC001461504547 1067878335 /nfs/dbraw/zinc/87/83/35/1067878335.db2.gz NQAFNKXEWOSCLC-QZTJIDSGSA-N 0 3 473.392 4.735 20 0 JJADHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Br)c(Br)c2)[C@H]1n1cccn1 ZINC001461513702 1067879484 /nfs/dbraw/zinc/87/94/84/1067879484.db2.gz JVLJVBHPSIWQIK-BRWVUGGUSA-N 0 3 457.210 4.695 20 0 JJADHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529043 1067881973 /nfs/dbraw/zinc/88/19/73/1067881973.db2.gz DLFCVSWRZBZRMM-MBSDFSHPSA-N 0 3 455.574 4.692 20 0 JJADHN Cn1c(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC001461578704 1067892449 /nfs/dbraw/zinc/89/24/49/1067892449.db2.gz GVTRSIKNASHEOH-FUHWJXTLSA-N 0 3 456.434 4.712 20 0 JJADHN CN1CCN(CCCOc2ccc(NCc3oc4ccccc4c3Br)cc2)CC1 ZINC001461623576 1067903575 /nfs/dbraw/zinc/90/35/75/1067903575.db2.gz OJTHUOIMYNXDII-UHFFFAOYSA-N 0 3 458.400 4.824 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632860 1067906191 /nfs/dbraw/zinc/90/61/91/1067906191.db2.gz MPGXXVKPSHWTHH-MSOLQXFVSA-N 0 3 456.505 4.738 20 0 JJADHN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCC1(O)CCN(c2ccccc2)CC1 ZINC001461680182 1067916998 /nfs/dbraw/zinc/91/69/98/1067916998.db2.gz CIEHPROZODFZLF-UHFFFAOYSA-N 0 3 453.030 4.962 20 0 JJADHN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC001461717779 1067924444 /nfs/dbraw/zinc/92/44/44/1067924444.db2.gz RTGUBAIXVPOEDH-HXUWFJFHSA-N 0 3 453.455 4.809 20 0 JJADHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]1CCCc1ccccc1 ZINC001461844544 1067945263 /nfs/dbraw/zinc/94/52/63/1067945263.db2.gz JYPFRFYOMVVGLP-GCJKJVERSA-N 0 3 459.428 4.950 20 0 JJADHN Cc1cccc(NC[C@H]2CCCN2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863003 1067949767 /nfs/dbraw/zinc/94/97/67/1067949767.db2.gz AFAIKXWHMPKGLU-NHCUHLMSSA-N 0 3 454.615 4.618 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(Oc4cc(F)cc(F)c4)nc3)cc2)CC1 ZINC001461919410 1067960981 /nfs/dbraw/zinc/96/09/81/1067960981.db2.gz IWPCAHJOXARVIQ-UHFFFAOYSA-N 0 3 452.505 4.935 20 0 JJADHN COC(=O)[C@@H](C)Oc1ccccc1CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929613 1067962795 /nfs/dbraw/zinc/96/27/95/1067962795.db2.gz XJSGCKGZICPSBR-WOJBJXKFSA-N 0 3 455.599 4.902 20 0 JJADHN COC(=O)[C@H](C)Oc1ccccc1CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929607 1067962921 /nfs/dbraw/zinc/96/29/21/1067962921.db2.gz XJSGCKGZICPSBR-PMACEKPBSA-N 0 3 455.599 4.902 20 0 JJADHN CCC1(Cn2c(-c3cccc(Br)c3)nnc2N2CCN(C(C)(C)C)CC2)CCOCC1 ZINC001546128273 1067966388 /nfs/dbraw/zinc/96/63/88/1067966388.db2.gz VQFKSMOCEOBXBF-UHFFFAOYSA-N 0 3 490.490 4.835 20 0 JJADHN CC(=O)N(c1nc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045779 1067988822 /nfs/dbraw/zinc/98/88/22/1067988822.db2.gz FICHXWBQXNDRFA-OPAMFIHVSA-N 0 3 456.562 4.716 20 0 JJADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN(Cc3ccccc3)[C@@H](CO)C3CC3)o2)CC1 ZINC001462050161 1067990565 /nfs/dbraw/zinc/99/05/65/1067990565.db2.gz LODDLQLBTLQKMT-DEOSSOPVSA-N 0 3 454.611 4.611 20 0 JJADHN CCOc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Br)c1[O-] ZINC001462090079 1067999458 /nfs/dbraw/zinc/99/94/58/1067999458.db2.gz VWMKTUFEUHYLQA-IFMALSPDSA-N 0 3 452.364 4.556 20 0 JJADHN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110379 1068006562 /nfs/dbraw/zinc/00/65/62/1068006562.db2.gz RQCVMYAVLCCQEX-OYUWMTPXSA-N 0 3 458.602 4.945 20 0 JJADHN CCOc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Br)c1[O-] ZINC001462117649 1068007188 /nfs/dbraw/zinc/00/71/88/1068007188.db2.gz BAFOIPQREXNPLJ-AWEZNQCLSA-N 0 3 459.306 4.941 20 0 JJADHN CCN1CCN(c2cccc(N[C@@H]3CCN(C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122797 1068010254 /nfs/dbraw/zinc/01/02/54/1068010254.db2.gz AQVDTXFWFHHJON-VWNXMTODSA-N 0 3 457.460 4.838 20 0 JJADHN CC(C)(C)OC(=O)N1CCc2ccc(CN3CCC(O)(Cc4ccccc4F)CC3)cc2C1 ZINC001462183990 1068024353 /nfs/dbraw/zinc/02/43/53/1068024353.db2.gz ONAOETAFSZNTJC-UHFFFAOYSA-N 0 3 454.586 4.689 20 0 JJADHN C[C@H]1C[C@@H](NCc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255826 1068039080 /nfs/dbraw/zinc/03/90/80/1068039080.db2.gz AMQKFOHJFLZNBV-GOEBONIOSA-N 0 3 453.222 4.607 20 0 JJADHN O[C@H](c1ccc(Br)cc1)[C@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293084 1068045382 /nfs/dbraw/zinc/04/53/82/1068045382.db2.gz HODBWIKSXYUPTB-NZQKXSOJSA-N 0 3 458.375 4.779 20 0 JJADHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337834 1068054134 /nfs/dbraw/zinc/05/41/34/1068054134.db2.gz WWENPQGORJDCNQ-KRWDZBQOSA-N 0 3 455.401 4.907 20 0 JJADHN COc1ccc(NC(=O)C[C@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398354 1068065457 /nfs/dbraw/zinc/06/54/57/1068065457.db2.gz AMOAKTSIHLGOAO-AQKFKSFVSA-N 0 3 454.567 4.581 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538683 1068093897 /nfs/dbraw/zinc/09/38/97/1068093897.db2.gz ZBLIVUITMOUREA-DFBJGRDBSA-N 0 3 457.640 4.961 20 0 JJADHN COc1cc(Cl)c(CNC[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001462556220 1068097589 /nfs/dbraw/zinc/09/75/89/1068097589.db2.gz DZOKNYJOQNIUNA-MRXNPFEDSA-N 0 3 459.414 4.898 20 0 JJADHN CN(Cc1ccccc1)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462703919 1068136579 /nfs/dbraw/zinc/13/65/79/1068136579.db2.gz NRYKERFTTKTYAR-LOSJGSFVSA-N 0 3 455.023 4.770 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC001462862508 1068194283 /nfs/dbraw/zinc/19/42/83/1068194283.db2.gz VKXOIRRTIYMAAE-WUFINQPMSA-N 0 3 478.658 4.870 20 0 JJADHN CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)COC2 ZINC001462942139 1068222752 /nfs/dbraw/zinc/22/27/52/1068222752.db2.gz HNHYUTIOHFUOAO-UHFFFAOYSA-N 0 3 457.423 4.556 20 0 JJADHN CC(C)n1cc(Br)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC001463190038 1068315228 /nfs/dbraw/zinc/31/52/28/1068315228.db2.gz UMOXONWHZMJWJQ-RBBKRZOGSA-N 0 3 467.411 4.625 20 0 JJADHN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1Cl ZINC001463224359 1068326754 /nfs/dbraw/zinc/32/67/54/1068326754.db2.gz HKTUOASLZUFVMI-QFIPXVFZSA-N 0 3 453.435 4.979 20 0 JJADHN C[C@H](Cc1ccsc1)N(C)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001463242649 1068332668 /nfs/dbraw/zinc/33/26/68/1068332668.db2.gz ZTCCWNFISBKXQA-BTZRARBUSA-N 0 3 472.651 4.748 20 0 JJADHN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC001463278347 1068341994 /nfs/dbraw/zinc/34/19/94/1068341994.db2.gz DKGQKMMJAWPFMH-VWNXMTODSA-N 0 3 454.636 4.591 20 0 JJADHN CC[NH+](CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)C ZINC001463310804 1068351937 /nfs/dbraw/zinc/35/19/37/1068351937.db2.gz VHYAILANWKLNLS-CQSZACIVSA-N 0 3 459.372 4.503 20 0 JJADHN CSc1ccc(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC001463552018 1068438825 /nfs/dbraw/zinc/43/88/25/1068438825.db2.gz VYXGMDZZQKMESF-IZZNHLLZSA-N 0 3 466.672 4.805 20 0 JJADHN COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)c(Cl)c2)N2CCCC2)c1 ZINC001463558692 1068441652 /nfs/dbraw/zinc/44/16/52/1068441652.db2.gz RJBAJQZJJUCJQG-HXUWFJFHSA-N 0 3 451.792 4.607 20 0 JJADHN CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C2=O)cc1 ZINC001463573393 1068451859 /nfs/dbraw/zinc/45/18/59/1068451859.db2.gz OAFCEYJKQBEQPN-XZOQPEGZSA-N 0 3 453.652 4.814 20 0 JJADHN CCCCOc1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1C(C)C ZINC001463638898 1068478453 /nfs/dbraw/zinc/47/84/53/1068478453.db2.gz ZYASSGNBIXLDEO-ZRZAMGCNSA-N 0 3 456.652 4.741 20 0 JJADHN CN(C)[C@@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771100 1068519334 /nfs/dbraw/zinc/51/93/34/1068519334.db2.gz UOSOITKRXASZQU-FCHUYYIVSA-N 0 3 451.611 4.595 20 0 JJADHN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC001463868387 1068551222 /nfs/dbraw/zinc/55/12/22/1068551222.db2.gz AUCLIZUBIUPYRX-UHFFFAOYSA-N 0 3 454.617 4.945 20 0 JJADHN CC[C@H](CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)CC(F)(F)F ZINC001463894119 1068557645 /nfs/dbraw/zinc/55/76/45/1068557645.db2.gz NBGGDZATVJBXOR-AJSBUHFISA-N 0 3 468.585 4.861 20 0 JJADHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001463911699 1068562426 /nfs/dbraw/zinc/56/24/26/1068562426.db2.gz FMNRLFQJCYOTEB-HSZRJFAPSA-N 0 3 459.565 4.915 20 0 JJADHN Cc1cccc(Oc2ccc(C(=O)NCCCCN3CCN(c4cccc(C)c4)CC3)nc2)c1 ZINC001464099616 1068614632 /nfs/dbraw/zinc/61/46/32/1068614632.db2.gz GLIPBFZBQIOHFT-UHFFFAOYSA-N 0 3 458.606 4.823 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(F)c(C(F)(F)F)c(F)c3)CC2)c1 ZINC001464100389 1068615304 /nfs/dbraw/zinc/61/53/04/1068615304.db2.gz IQUNJXQMSAAUIG-UHFFFAOYSA-N 0 3 455.471 4.624 20 0 JJADHN COc1ccccc1Nc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001464100181 1068615359 /nfs/dbraw/zinc/61/53/59/1068615359.db2.gz UAARRRPSAXCSAQ-AREMUKBSSA-N 0 3 458.606 4.547 20 0 JJADHN CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC001464103369 1068616934 /nfs/dbraw/zinc/61/69/34/1068616934.db2.gz YIOOIWWBVOWOGW-RPWUZVMVSA-N 0 3 451.611 4.514 20 0 JJADHN Cc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 ZINC001464120812 1068621773 /nfs/dbraw/zinc/62/17/73/1068621773.db2.gz LBVDURCVZXTISK-UHFFFAOYSA-N 0 3 458.528 4.827 20 0 JJADHN CCN1CCN(Cc2ccccc2CNC(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC001464127943 1068625545 /nfs/dbraw/zinc/62/55/45/1068625545.db2.gz ZHLMIFCNRGBNDF-UHFFFAOYSA-N 0 3 454.467 4.832 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)CCCOc3cccc(Cl)c3Cl)cc2)CC1 ZINC001464129912 1068626568 /nfs/dbraw/zinc/62/65/68/1068626568.db2.gz ICTVARRSYNTAHW-UHFFFAOYSA-N 0 3 450.410 4.929 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3cc(C)n([C@@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157479 1068636324 /nfs/dbraw/zinc/63/63/24/1068636324.db2.gz HAHVMXPLGQSYGW-QHCPKHFHSA-N 0 3 458.650 4.782 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3csc(-c4ccccc4Cl)n3)cc2)CC1 ZINC001464162192 1068638409 /nfs/dbraw/zinc/63/84/09/1068638409.db2.gz VWGBSECBCHOJGP-UHFFFAOYSA-N 0 3 455.027 4.531 20 0 JJADHN COc1cc(C)ccc1Oc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1F ZINC001464441562 1068747226 /nfs/dbraw/zinc/74/72/26/1068747226.db2.gz NDECIUQBMGPKKD-JKSUJKDBSA-N 0 3 457.420 4.858 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001464490248 1068764721 /nfs/dbraw/zinc/76/47/21/1068764721.db2.gz BAQGUCVPUBBKNQ-HSZRJFAPSA-N 0 3 457.659 4.803 20 0 JJADHN CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC001464492745 1068765764 /nfs/dbraw/zinc/76/57/64/1068765764.db2.gz NDFYRGOIQCJBOV-AREMUKBSSA-N 0 3 455.602 4.501 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464501488 1068767620 /nfs/dbraw/zinc/76/76/20/1068767620.db2.gz XILWZBMYCDQZEL-LPHOPBHVSA-N 0 3 459.553 4.850 20 0 JJADHN COc1cc(Cl)c(Br)cc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC001464504184 1068768037 /nfs/dbraw/zinc/76/80/37/1068768037.db2.gz HHDKAQHOKHXXLZ-UHFFFAOYSA-N 0 3 453.808 4.748 20 0 JJADHN CN(C)CCN(CCCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC001464508557 1068768665 /nfs/dbraw/zinc/76/86/65/1068768665.db2.gz URPWAWCACSJHEI-UHFFFAOYSA-N 0 3 453.808 4.504 20 0 JJADHN CCc1c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cnn1-c1ccc(Br)cc1 ZINC001464536434 1068775131 /nfs/dbraw/zinc/77/51/31/1068775131.db2.gz AXHIOODTOXIKRI-JOCHJYFZSA-N 0 3 455.400 4.538 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045193676 563176778 /nfs/dbraw/zinc/17/67/78/563176778.db2.gz UBJBUDCSLZWPNM-UHFFFAOYSA-N 0 3 451.567 4.907 20 0 JJADHN FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164389837 718825751 /nfs/dbraw/zinc/82/57/51/718825751.db2.gz JURNFECOIQUCQT-IRXDYDNUSA-N 0 3 476.980 4.612 20 0 JJADHN FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164389836 718825888 /nfs/dbraw/zinc/82/58/88/718825888.db2.gz JURNFECOIQUCQT-IAGOWNOFSA-N 0 3 476.980 4.612 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)CC2)CC1 ZINC001164617517 719027836 /nfs/dbraw/zinc/02/78/36/719027836.db2.gz NBZSYTVURTXUPL-UHFFFAOYSA-N 0 3 487.378 4.725 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164629867 719102560 /nfs/dbraw/zinc/10/25/60/719102560.db2.gz TZAOTUQRXUFJQE-ICSRJNTNSA-N 0 3 455.940 4.838 20 0 JJADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731521 720440818 /nfs/dbraw/zinc/44/08/18/720440818.db2.gz LKWVYERWTGUIKD-PKTZIBPZSA-N 0 3 488.705 4.804 20 0 JJADHN COc1ccc2c(c1)nc(N1CCc3ncc(CN4CCCC4)n3CC1)cc2-c1ccccc1 ZINC001164736299 720580949 /nfs/dbraw/zinc/58/09/49/720580949.db2.gz HJLGIFCYOBOVNS-UHFFFAOYSA-N 0 3 453.590 4.765 20 0 JJADHN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843430 720740353 /nfs/dbraw/zinc/74/03/53/720740353.db2.gz JOVPZDGFHISFIN-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN Clc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1Cl ZINC001164741742 720783537 /nfs/dbraw/zinc/78/35/37/720783537.db2.gz MWPVRWITQKHGKF-ROUUACIJSA-N 0 3 493.398 4.736 20 0 JJADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867808 721068745 /nfs/dbraw/zinc/06/87/45/721068745.db2.gz KMSQFDLJAJNMLR-CLJLJLNGSA-N 0 3 463.585 4.685 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164773813 721127035 /nfs/dbraw/zinc/12/70/35/721127035.db2.gz ZCZNQRYGQWINOS-SFTDATJTSA-N 0 3 458.997 4.642 20 0 JJADHN Clc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878604 721139487 /nfs/dbraw/zinc/13/94/87/721139487.db2.gz QOMRZIMFQIYSEN-PKTZIBPZSA-N 0 3 471.992 4.825 20 0 JJADHN Clc1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878607 721139930 /nfs/dbraw/zinc/13/99/30/721139930.db2.gz QOMRZIMFQIYSEN-XZOQPEGZSA-N 0 3 471.992 4.825 20 0 JJADHN Clc1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164878602 721140367 /nfs/dbraw/zinc/14/03/67/721140367.db2.gz QOMRZIMFQIYSEN-GOTSBHOMSA-N 0 3 471.992 4.825 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164773672 721156551 /nfs/dbraw/zinc/15/65/51/721156551.db2.gz YNYYZERBUJXQOM-SFTDATJTSA-N 0 3 458.997 4.642 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876366 721162696 /nfs/dbraw/zinc/16/26/96/721162696.db2.gz LVUDVJZOHIXLLY-RRPNLBNLSA-N 0 3 463.585 4.685 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767801 721200211 /nfs/dbraw/zinc/20/02/11/721200211.db2.gz KPFDTKMKWUOGAI-RTBURBONSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771887 721202203 /nfs/dbraw/zinc/20/22/03/721202203.db2.gz RSQSIRVZFCBVQH-QZTJIDSGSA-N 0 3 476.675 4.600 20 0 JJADHN Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164763380 721202385 /nfs/dbraw/zinc/20/23/85/721202385.db2.gz FQZFWEOZKGBZAY-OALUTQOASA-N 0 3 464.664 4.728 20 0 JJADHN COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@H](CN1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898355 721434808 /nfs/dbraw/zinc/43/48/08/721434808.db2.gz VTJKIZXKHANZFB-RNAHPLFWSA-N 0 3 486.660 4.676 20 0 JJADHN O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913900 721728551 /nfs/dbraw/zinc/72/85/51/721728551.db2.gz ZJEIGHKMUQJLDK-SANMLTNESA-N 0 3 478.543 4.571 20 0 JJADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912868 721733157 /nfs/dbraw/zinc/73/31/57/721733157.db2.gz QSDAHSOJFTYHCB-QHCPKHFHSA-N 0 3 470.955 4.633 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913833 721733329 /nfs/dbraw/zinc/73/33/29/721733329.db2.gz YSKWJTDWBRGKLD-XMMPIXPASA-N 0 3 478.572 4.886 20 0 JJADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164912865 721733379 /nfs/dbraw/zinc/73/33/79/721733379.db2.gz QSDAHSOJFTYHCB-HSZRJFAPSA-N 0 3 470.955 4.633 20 0 JJADHN Cc1ccc(CN2CCOC3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164939824 721924491 /nfs/dbraw/zinc/92/44/91/721924491.db2.gz NTLYDSHTHCDJLS-UHFFFAOYSA-N 0 3 482.672 4.820 20 0 JJADHN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962200 722060886 /nfs/dbraw/zinc/06/08/86/722060886.db2.gz POWASTANEFKOOA-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979128 722111573 /nfs/dbraw/zinc/11/15/73/722111573.db2.gz PDNFUZFKYFRJMQ-LADGPHEKSA-N 0 3 471.630 4.789 20 0 JJADHN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981478 722122184 /nfs/dbraw/zinc/12/21/84/722122184.db2.gz UFNUOLKORDNEOJ-JXFKEZNVSA-N 0 3 494.373 4.604 20 0 JJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985046 722138660 /nfs/dbraw/zinc/13/86/60/722138660.db2.gz YXZZDVIVEQDSBA-NFBKMPQASA-N 0 3 475.593 4.620 20 0 JJADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984947 722147550 /nfs/dbraw/zinc/14/75/50/722147550.db2.gz YLOFOTDLRQEFJS-NOZRDPDXSA-N 0 3 483.641 4.994 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164978112 722147841 /nfs/dbraw/zinc/14/78/41/722147841.db2.gz JZJLZSSKCGMBHN-LMSSTIIKSA-N 0 3 477.612 4.933 20 0 JJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976029 722148931 /nfs/dbraw/zinc/14/89/31/722148931.db2.gz GLEVAGWYHYPRJR-KNQAVFIVSA-N 0 3 458.940 4.555 20 0 JJADHN Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977144 722154403 /nfs/dbraw/zinc/15/44/03/722154403.db2.gz XOJLNBVONLENNE-GCJKJVERSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973847 722154613 /nfs/dbraw/zinc/15/46/13/722154613.db2.gz NCGMUYYYOGTGCF-AVRDEDQJSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973852 722155748 /nfs/dbraw/zinc/15/57/48/722155748.db2.gz NCGMUYYYOGTGCF-XMSQKQJNSA-N 0 3 486.403 4.698 20 0 JJADHN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972807 722157722 /nfs/dbraw/zinc/15/77/22/722157722.db2.gz JQXHQEPMWVPDKY-XUZZJYLKSA-N 0 3 499.993 4.773 20 0 JJADHN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164972810 722157954 /nfs/dbraw/zinc/15/79/54/722157954.db2.gz JQXHQEPMWVPDKY-ZJSXRUAMSA-N 0 3 499.993 4.773 20 0 JJADHN Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972799 722158373 /nfs/dbraw/zinc/15/83/73/722158373.db2.gz JQXHQEPMWVPDKY-QPPBQGQZSA-N 0 3 499.993 4.773 20 0 JJADHN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2ncccc2CN2CCCC2)CC1 ZINC001164989396 722189251 /nfs/dbraw/zinc/18/92/51/722189251.db2.gz DKENKUHTKCJWEE-UHFFFAOYSA-N 0 3 456.590 4.777 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001359720267 1064268169 /nfs/dbraw/zinc/26/81/69/1064268169.db2.gz MNYXJFYIFVBGOL-FQEVSTJZSA-N 0 3 465.646 4.813 20 0 JJADHN CC(C)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001359724713 1064272436 /nfs/dbraw/zinc/27/24/36/1064272436.db2.gz SQZUYVPRLDWITN-FGZHOGPDSA-N 0 3 453.656 4.604 20 0 JJADHN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359727426 1064274158 /nfs/dbraw/zinc/27/41/58/1064274158.db2.gz UGOQXUCUDIVUOP-VABKMULXSA-N 0 3 482.673 4.540 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880290 1064296353 /nfs/dbraw/zinc/29/63/53/1064296353.db2.gz WIAITDBHWFBPAW-OAQYLSRUSA-N 0 3 450.608 4.743 20 0 JJADHN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001434917901 1064345154 /nfs/dbraw/zinc/34/51/54/1064345154.db2.gz CIPMCXBHDWWYBZ-LJQANCHMSA-N 0 3 459.059 4.521 20 0 JJADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc2c(Br)cccc2cn1 ZINC001434920511 1064348176 /nfs/dbraw/zinc/34/81/76/1064348176.db2.gz CUYZMCCCWBLWLI-UHFFFAOYSA-N 0 3 456.409 4.841 20 0 JJADHN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC001435043370 1064460078 /nfs/dbraw/zinc/46/00/78/1064460078.db2.gz DSRXNNOHYHJMIB-IBGZPJMESA-N 0 3 457.405 4.858 20 0 JJADHN CN(C)C(=O)Sc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC001359799931 1064466896 /nfs/dbraw/zinc/46/68/96/1064466896.db2.gz YWRVGHDBEAVUQI-OAQYLSRUSA-N 0 3 451.514 4.853 20 0 JJADHN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001359804591 1064473327 /nfs/dbraw/zinc/47/33/27/1064473327.db2.gz CKNDKSZJAOUJJY-NRFANRHFSA-N 0 3 456.635 4.759 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001435062134 1064480861 /nfs/dbraw/zinc/48/08/61/1064480861.db2.gz DPTWMXXESLPKPP-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN O=C(c1ccnc(Br)c1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435066900 1064487795 /nfs/dbraw/zinc/48/77/95/1064487795.db2.gz SCKQOCDHWBZUKR-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)ccc1Br ZINC001435067246 1064487875 /nfs/dbraw/zinc/48/78/75/1064487875.db2.gz ZZRJZQRNLVCICO-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN O=C(c1nc(C(F)(F)F)n2c1CCCC2)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001435069133 1064490438 /nfs/dbraw/zinc/49/04/38/1064490438.db2.gz VMABPNDEONERAC-UHFFFAOYSA-N 0 3 454.924 4.630 20 0 JJADHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001359844536 1064530824 /nfs/dbraw/zinc/53/08/24/1064530824.db2.gz AMWGWOZEOQYLGT-UHFFFAOYSA-N 0 3 457.553 4.586 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001359847781 1064534088 /nfs/dbraw/zinc/53/40/88/1064534088.db2.gz WZONYHWCRNMLFU-CQSZACIVSA-N 0 3 457.771 4.599 20 0 JJADHN COc1cccc(OC)c1CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847528 1064534117 /nfs/dbraw/zinc/53/41/17/1064534117.db2.gz NVIOMGOOLXGCOZ-UHFFFAOYSA-N 0 3 451.394 4.678 20 0 JJADHN O=C(c1cncc(OCC(F)F)c1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847803 1064534254 /nfs/dbraw/zinc/53/42/54/1064534254.db2.gz XPVZGTWOJOUNHJ-UHFFFAOYSA-N 0 3 458.336 4.771 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCSc1ccc(Br)cc1 ZINC001359851153 1064538182 /nfs/dbraw/zinc/53/81/82/1064538182.db2.gz FEAMQHORCUZXOY-UHFFFAOYSA-N 0 3 457.384 4.800 20 0 JJADHN Cc1cc2cc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)oc2c(Br)c1 ZINC001359852244 1064539327 /nfs/dbraw/zinc/53/93/27/1064539327.db2.gz XIYPQUJDBCPTLL-UHFFFAOYSA-N 0 3 451.311 4.986 20 0 JJADHN CC(C)n1cc(Br)c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)n1 ZINC001359857798 1064544766 /nfs/dbraw/zinc/54/47/66/1064544766.db2.gz COIIUIQJEAPNNI-UHFFFAOYSA-N 0 3 453.812 4.618 20 0 JJADHN CSc1cccc(N(C(=O)c2cc(Br)cn3ccnc23)C2CCN(C)CC2)c1 ZINC001435147994 1064547995 /nfs/dbraw/zinc/54/79/95/1064547995.db2.gz IJLDJZDRGJRNMY-UHFFFAOYSA-N 0 3 459.413 4.560 20 0 JJADHN CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001359865800 1064556066 /nfs/dbraw/zinc/55/60/66/1064556066.db2.gz JEWJJIHSGWWLGQ-HHHXNRCGSA-N 0 3 453.675 4.566 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(Br)ccc2Br)c1 ZINC001359871493 1064563363 /nfs/dbraw/zinc/56/33/63/1064563363.db2.gz VNAKPKOGSQEVLS-UHFFFAOYSA-N 0 3 454.206 4.724 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC001435189726 1064579170 /nfs/dbraw/zinc/57/91/70/1064579170.db2.gz RPEDJIJOMIUHJC-QFIPXVFZSA-N 0 3 451.636 4.896 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC001435196097 1064584257 /nfs/dbraw/zinc/58/42/57/1064584257.db2.gz QSAPHVAGYMHAQF-QHCPKHFHSA-N 0 3 455.549 4.582 20 0 JJADHN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205985 1064591441 /nfs/dbraw/zinc/59/14/41/1064591441.db2.gz GJGIVOXQAKLFMF-LJQANCHMSA-N 0 3 456.512 4.936 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207846 1064592397 /nfs/dbraw/zinc/59/23/97/1064592397.db2.gz MYLHKBCMWKOOEC-ZJSXRUAMSA-N 0 3 457.659 4.973 20 0 JJADHN CC(C)CCN(c1nnc(-c2ccc(Br)cc2)n1CCN1CC=CCC1)C1CC1 ZINC001359923837 1064654360 /nfs/dbraw/zinc/65/43/60/1064654360.db2.gz XTZDPFGJKRRBKS-UHFFFAOYSA-N 0 3 458.448 4.984 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951869 1064711749 /nfs/dbraw/zinc/71/17/49/1064711749.db2.gz IFXGLXOYZCSVTE-VWLOTQADSA-N 0 3 482.717 4.631 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2nccs2)cc1 ZINC001359955134 1064723524 /nfs/dbraw/zinc/72/35/24/1064723524.db2.gz QPTWSBHRWZJWLK-UHFFFAOYSA-N 0 3 468.671 4.653 20 0 JJADHN O=C(CSCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)c1ccc(Cl)cc1 ZINC001435362028 1064724697 /nfs/dbraw/zinc/72/46/97/1064724697.db2.gz ROYGYHFHZPUFJN-RUZDIDTESA-N 0 3 457.039 4.771 20 0 JJADHN CN(C)CCN(Cc1cccs1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001435422642 1064750647 /nfs/dbraw/zinc/75/06/47/1064750647.db2.gz ONWQIDCLNXPJFR-UHFFFAOYSA-N 0 3 456.456 4.900 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(CCN(C)C)Cc3ccco3)cc12 ZINC001435472945 1064777957 /nfs/dbraw/zinc/77/79/57/1064777957.db2.gz WJHQMEZZRPLXLE-UHFFFAOYSA-N 0 3 456.999 4.905 20 0 JJADHN CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435519549 1064802439 /nfs/dbraw/zinc/80/24/39/1064802439.db2.gz SCFKVIHUKQOSRZ-RPWUZVMVSA-N 0 3 451.611 4.766 20 0 JJADHN CN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435519545 1064802712 /nfs/dbraw/zinc/80/27/12/1064802712.db2.gz SCFKVIHUKQOSRZ-DNQXCXABSA-N 0 3 451.611 4.766 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CC2CC2)CC1 ZINC001360017083 1064816163 /nfs/dbraw/zinc/81/61/63/1064816163.db2.gz CFMKBYRLNIBSDF-UHFFFAOYSA-N 0 3 452.828 4.549 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360017310 1064816744 /nfs/dbraw/zinc/81/67/44/1064816744.db2.gz CWNCKIILYLCWQL-UXHICEINSA-N 0 3 477.600 4.530 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001360017737 1064818724 /nfs/dbraw/zinc/81/87/24/1064818724.db2.gz IUFFRBZMCDHFPP-RBBKRZOGSA-N 0 3 490.490 4.547 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCOC(C)C)CC1 ZINC001360018503 1064820279 /nfs/dbraw/zinc/82/02/79/1064820279.db2.gz RDLWXIPORCNMAL-UHFFFAOYSA-N 0 3 454.446 4.845 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccncc2Cl)CC1 ZINC001360018592 1064820342 /nfs/dbraw/zinc/82/03/42/1064820342.db2.gz SJUHVCDDSZGOLG-UHFFFAOYSA-N 0 3 463.388 4.612 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2cccs2)CC1 ZINC001360018433 1064820377 /nfs/dbraw/zinc/82/03/77/1064820377.db2.gz PHJSHUMTOORNPP-UHFFFAOYSA-N 0 3 461.582 4.629 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(F)cc(Br)c1 ZINC001360019276 1064821969 /nfs/dbraw/zinc/82/19/69/1064821969.db2.gz IKCGUIWLBIJKHT-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001360024920 1064827455 /nfs/dbraw/zinc/82/74/55/1064827455.db2.gz NIJBMMUEYKMKJE-YTFSRNRJSA-N 0 3 488.721 4.607 20 0 JJADHN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC001435554644 1064827524 /nfs/dbraw/zinc/82/75/24/1064827524.db2.gz HANQPEZCHQHIIJ-XMMPIXPASA-N 0 3 456.512 4.560 20 0 JJADHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)ccc1Br ZINC001360028859 1064830160 /nfs/dbraw/zinc/83/01/60/1064830160.db2.gz YOIWJPMOJGJGDA-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOC2CCCCCC2)CC1 ZINC001360030987 1064832947 /nfs/dbraw/zinc/83/29/47/1064832947.db2.gz SKZQFAUPQCETPT-UHFFFAOYSA-N 0 3 475.628 4.665 20 0 JJADHN CC[C@H](Cc1cccc(Br)c1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001360031823 1064833798 /nfs/dbraw/zinc/83/37/98/1064833798.db2.gz FUENCFGDMSPKJZ-GOSISDBHSA-N 0 3 453.371 4.886 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360032218 1064834323 /nfs/dbraw/zinc/83/43/23/1064834323.db2.gz TXDVKYBGVSKYNL-UHFFFAOYSA-N 0 3 486.586 4.694 20 0 JJADHN CCC(CC)(C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001435613942 1064876751 /nfs/dbraw/zinc/87/67/51/1064876751.db2.gz OLJOVMUOLHWJKB-NRFANRHFSA-N 0 3 454.615 4.725 20 0 JJADHN COc1cccc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)c1OC(F)F ZINC001435614005 1064876887 /nfs/dbraw/zinc/87/68/87/1064876887.db2.gz QADNVOPSXNCEMA-SFHVURJKSA-N 0 3 456.493 4.501 20 0 JJADHN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC001435629523 1064891208 /nfs/dbraw/zinc/89/12/08/1064891208.db2.gz SOVNUKDXPGBRRH-UHFFFAOYSA-N 0 3 451.636 4.816 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N2CCc3ccccc3C2)C1 ZINC001360062087 1064901971 /nfs/dbraw/zinc/90/19/71/1064901971.db2.gz FVCUKGMCZBPPDF-XMMPIXPASA-N 0 3 467.702 4.955 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001360066250 1064908863 /nfs/dbraw/zinc/90/88/63/1064908863.db2.gz LXYMCPKJFGFAMK-UXHICEINSA-N 0 3 459.685 4.546 20 0 JJADHN CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001360082844 1064942880 /nfs/dbraw/zinc/94/28/80/1064942880.db2.gz NUHNDJWNPVNJFW-OAQYLSRUSA-N 0 3 491.149 4.592 20 0 JJADHN CC(C)N(Cc1cccc(F)c1)c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001360118227 1065003390 /nfs/dbraw/zinc/00/33/90/1065003390.db2.gz CGHXRSKYQQQIFP-UHFFFAOYSA-N 0 3 470.681 4.591 20 0 JJADHN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001360120191 1065007867 /nfs/dbraw/zinc/00/78/67/1065007867.db2.gz YBGGCIZOUUPEPX-NFBKMPQASA-N 0 3 455.578 4.622 20 0 JJADHN CC(C)N1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001360143339 1065044043 /nfs/dbraw/zinc/04/40/43/1065044043.db2.gz DXLSPIOFSNXUKW-MGBGTMOVSA-N 0 3 473.731 4.710 20 0 JJADHN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001435888826 1065046233 /nfs/dbraw/zinc/04/62/33/1065046233.db2.gz FYMMTYSKGGMBJZ-GAASDFDMSA-N 0 3 452.904 4.693 20 0 JJADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889843 1065047213 /nfs/dbraw/zinc/04/72/13/1065047213.db2.gz MZWDGDHSCIWQNZ-IBGZPJMESA-N 0 3 459.409 4.685 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001360148697 1065051156 /nfs/dbraw/zinc/05/11/56/1065051156.db2.gz ZPTCHWSXFOUXMC-UHFFFAOYSA-N 0 3 450.073 4.869 20 0 JJADHN COc1ccc(C)cc1-n1ccc(C(=O)N(c2cccc(SC)c2)C2CCN(C)CC2)n1 ZINC001360191237 1065075366 /nfs/dbraw/zinc/07/53/66/1065075366.db2.gz AYUSATNNHHCABN-UHFFFAOYSA-N 0 3 450.608 4.652 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001545894474 1065081804 /nfs/dbraw/zinc/08/18/04/1065081804.db2.gz XIOCGDCHJUILEV-ISKFKSNPSA-N 0 3 468.690 4.680 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3cc4cccc(F)c4nc3C)c(OCC)c2)CC1 ZINC001436102826 1065181385 /nfs/dbraw/zinc/18/13/85/1065181385.db2.gz OEKVVJYAEWDYTK-UHFFFAOYSA-N 0 3 450.558 4.865 20 0 JJADHN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC001360354752 1065203736 /nfs/dbraw/zinc/20/37/36/1065203736.db2.gz CIAZGEUEOWBJMB-UHFFFAOYSA-N 0 3 452.064 4.806 20 0 JJADHN CC(C)Oc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)c1 ZINC001360359758 1065212046 /nfs/dbraw/zinc/21/20/46/1065212046.db2.gz JQSMKIPIGLAFLE-UHFFFAOYSA-N 0 3 499.457 4.721 20 0 JJADHN CCCN(C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC001436200756 1065247347 /nfs/dbraw/zinc/24/73/47/1065247347.db2.gz FVDFHHYNWBXXHM-PWRODBHTSA-N 0 3 452.039 4.923 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC001360387168 1065251794 /nfs/dbraw/zinc/25/17/94/1065251794.db2.gz BMYXPUOTZAXFPD-JOCHJYFZSA-N 0 3 453.652 4.881 20 0 JJADHN COc1ccc(-n2nc(C(=O)N(c3cccc(SC)c3)C3CCN(C)CC3)cc2C)cc1 ZINC001360409072 1065272117 /nfs/dbraw/zinc/27/21/17/1065272117.db2.gz XFGIHUNYWFMVRE-UHFFFAOYSA-N 0 3 450.608 4.652 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(Oc4cc(C)ccn4)cc3)CC2)cc1 ZINC001436318854 1065296197 /nfs/dbraw/zinc/29/61/97/1065296197.db2.gz WWJVNXHCYZYNFS-UHFFFAOYSA-N 0 3 458.562 4.535 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H]3CC[C@@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369860 1065304365 /nfs/dbraw/zinc/30/43/65/1065304365.db2.gz SIJNFGWIGDUJIP-FYYLOGMGSA-N 0 3 457.977 4.712 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H]3CC[C@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369868 1065304447 /nfs/dbraw/zinc/30/44/47/1065304447.db2.gz SIJNFGWIGDUJIP-JTHBVZDNSA-N 0 3 457.977 4.712 20 0 JJADHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432383 1065318202 /nfs/dbraw/zinc/31/82/02/1065318202.db2.gz SCNTUVRAVXKLTR-ISKFKSNPSA-N 0 3 459.675 4.824 20 0 JJADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)N(C)C ZINC001360440844 1065324907 /nfs/dbraw/zinc/32/49/07/1065324907.db2.gz YLNJGEXMGYBOPB-DMYXBQNASA-N 0 3 496.706 4.583 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465583 1065374805 /nfs/dbraw/zinc/37/48/05/1065374805.db2.gz WTYWQEAOOFTMKM-OAHLLOKOSA-N 0 3 453.327 4.787 20 0 JJADHN COCCCN(C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1)C1CCN(C)CC1 ZINC001436595368 1065389597 /nfs/dbraw/zinc/38/95/97/1065389597.db2.gz HTVCZJCXAXYONR-UHFFFAOYSA-N 0 3 456.530 4.887 20 0 JJADHN Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1Br ZINC001436620319 1065400755 /nfs/dbraw/zinc/40/07/55/1065400755.db2.gz XCXGUWQPUBVPFB-HXUWFJFHSA-N 0 3 455.318 4.828 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2C)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545903683 1065489175 /nfs/dbraw/zinc/48/91/75/1065489175.db2.gz GHOHKMSCWGZUDZ-RDGATRHJSA-N 0 3 480.701 4.967 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1CCN1CCC(C)CC1 ZINC001545903686 1065489289 /nfs/dbraw/zinc/48/92/89/1065489289.db2.gz GIDNKMVKMNVCTO-XMMPIXPASA-N 0 3 466.674 4.578 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1C[C@H](C)N1CCC(C)CC1 ZINC001545904060 1065496270 /nfs/dbraw/zinc/49/62/70/1065496270.db2.gz NMTKCYMVXWJHDR-OFVILXPXSA-N 0 3 496.700 4.667 20 0 JJADHN CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001437026678 1065497871 /nfs/dbraw/zinc/49/78/71/1065497871.db2.gz FUOCBCBCPQWCIU-GOSISDBHSA-N 0 3 458.393 4.699 20 0 JJADHN CSc1ncc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035218 1065498593 /nfs/dbraw/zinc/49/85/93/1065498593.db2.gz YAZSNARHPSFLGN-JOCHJYFZSA-N 0 3 452.599 4.858 20 0 JJADHN C[C@H](CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccs1)N(C)C)c1nccs1 ZINC001360525315 1065501559 /nfs/dbraw/zinc/50/15/59/1065501559.db2.gz SFHOQYBHZAGHCW-KURKYZTESA-N 0 3 460.673 4.581 20 0 JJADHN C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360525376 1065502297 /nfs/dbraw/zinc/50/22/97/1065502297.db2.gz TWPHVSMMDJKPEW-BAGYTPMASA-N 0 3 453.656 4.776 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2OC)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545904457 1065503925 /nfs/dbraw/zinc/50/39/25/1065503925.db2.gz VUNJOUWUXQAZSD-QPPBQGQZSA-N 0 3 496.700 4.667 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2OC)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545904460 1065504103 /nfs/dbraw/zinc/50/41/03/1065504103.db2.gz VUNJOUWUXQAZSD-ZJSXRUAMSA-N 0 3 496.700 4.667 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001437278210 1065528977 /nfs/dbraw/zinc/52/89/77/1065528977.db2.gz OXTCZSYWZQOFIJ-BTYIYWSLSA-N 0 3 451.792 4.651 20 0 JJADHN CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001437376461 1065544584 /nfs/dbraw/zinc/54/45/84/1065544584.db2.gz KOKNVNRXCZJOTQ-CLJLJLNGSA-N 0 3 450.623 4.645 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001545907392 1065565534 /nfs/dbraw/zinc/56/55/34/1065565534.db2.gz HSVGUSKVHHLWJB-BJKOFHAPSA-N 0 3 498.741 4.583 20 0 JJADHN Cc1cc(Br)ccc1CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001360585925 1065585511 /nfs/dbraw/zinc/58/55/11/1065585511.db2.gz YIJJANOUXIHFKO-FQEVSTJZSA-N 0 3 455.318 4.828 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CSCc2cccs2)cc1 ZINC001438332010 1065710583 /nfs/dbraw/zinc/71/05/83/1065710583.db2.gz LBIMCFJNAYGEOC-BJKOFHAPSA-N 0 3 452.645 4.774 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC001438342618 1065712810 /nfs/dbraw/zinc/71/28/10/1065712810.db2.gz UVIZPYLFZRLDPL-JYFHCDHNSA-N 0 3 477.992 4.705 20 0 JJADHN Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)c(Cl)nc12 ZINC001360659047 1065728724 /nfs/dbraw/zinc/72/87/24/1065728724.db2.gz TZLIICVPVLMFKL-FQEVSTJZSA-N 0 3 450.970 4.615 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748363 1065789702 /nfs/dbraw/zinc/78/97/02/1065789702.db2.gz WVAZEVTYMYNRCQ-INIZCTEOSA-N 0 3 451.792 4.604 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCCS1 ZINC001360748620 1065790461 /nfs/dbraw/zinc/79/04/61/1065790461.db2.gz CPZMKMGPKCKVMF-NQIIRXRSSA-N 0 3 461.651 4.763 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360748762 1065791021 /nfs/dbraw/zinc/79/10/21/1065791021.db2.gz FWFRSBSCFNARRE-DCFHFQCYSA-N 0 3 499.631 4.616 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccc(Cl)cc1 ZINC001545920924 1065795013 /nfs/dbraw/zinc/79/50/13/1065795013.db2.gz DKBJMCRRFWFXBH-UHFFFAOYSA-N 0 3 487.092 4.599 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001439223996 1065800811 /nfs/dbraw/zinc/80/08/11/1065800811.db2.gz JUHPENTVKNYRHS-NSHDSACASA-N 0 3 450.427 4.885 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCN1CCCCC1 ZINC001360769530 1065861813 /nfs/dbraw/zinc/86/18/13/1065861813.db2.gz KADMWPCQKCNYEH-KRWDZBQOSA-N 0 3 469.527 4.822 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545925533 1065881442 /nfs/dbraw/zinc/88/14/42/1065881442.db2.gz PCQIMGFRSCMATK-HXUWFJFHSA-N 0 3 486.680 4.698 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001545925483 1065881656 /nfs/dbraw/zinc/88/16/56/1065881656.db2.gz NOLWTQVNTFDMOY-UHFFFAOYSA-N 0 3 494.675 4.724 20 0 JJADHN CCCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)C1CCN(Cc2ccccc2)CC1 ZINC001440079229 1065910213 /nfs/dbraw/zinc/91/02/13/1065910213.db2.gz YRWMLDULZXQUFL-UHFFFAOYSA-N 0 3 459.516 4.573 20 0 JJADHN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC001440585776 1065952038 /nfs/dbraw/zinc/95/20/38/1065952038.db2.gz DGAHARTVVABNOU-AREMUKBSSA-N 0 3 454.574 4.889 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)c(C)c2)CC1 ZINC001440612250 1065954146 /nfs/dbraw/zinc/95/41/46/1065954146.db2.gz GUDRMIFJUNJFFR-HSZRJFAPSA-N 0 3 458.647 4.549 20 0 JJADHN Cc1sc(C)c(Cn2c(-c3ccccn3)nnc2N2CCN(CC(C)C)CC2)c1Br ZINC001360848814 1065957786 /nfs/dbraw/zinc/95/77/86/1065957786.db2.gz GJULUBYBVLYTQA-UHFFFAOYSA-N 0 3 489.487 4.607 20 0 JJADHN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001440664121 1065960634 /nfs/dbraw/zinc/96/06/34/1065960634.db2.gz FVZDVKPCXGFRJB-QHCPKHFHSA-N 0 3 459.565 4.649 20 0 JJADHN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001360850844 1065962285 /nfs/dbraw/zinc/96/22/85/1065962285.db2.gz RPPKKIZIFHKWHS-IBGZPJMESA-N 0 3 450.400 4.723 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001440675826 1065962585 /nfs/dbraw/zinc/96/25/85/1065962585.db2.gz LYWCIIWDCDZXDT-DEOSSOPVSA-N 0 3 450.652 4.804 20 0 JJADHN CC1=C(Br)CN(c2nnc(CC(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001360853533 1065969935 /nfs/dbraw/zinc/96/99/35/1065969935.db2.gz GCBAEQSREIZHSY-HXUWFJFHSA-N 0 3 464.427 4.798 20 0 JJADHN CN(Cc1cccs1)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001441017848 1066001347 /nfs/dbraw/zinc/00/13/47/1066001347.db2.gz YURISYGBVFIWID-UHFFFAOYSA-N 0 3 457.640 4.656 20 0 JJADHN CC[C@@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)N1CCc2ccccc2C1 ZINC001441234291 1066017304 /nfs/dbraw/zinc/01/73/04/1066017304.db2.gz DAFGNFSPUABLJI-VMODYCNZSA-N 0 3 455.643 4.509 20 0 JJADHN CC[C@@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)N1CCc2ccccc2C1 ZINC001441241293 1066019014 /nfs/dbraw/zinc/01/90/14/1066019014.db2.gz NTQUVEKZZVJBLE-CYFREDJKSA-N 0 3 451.611 4.839 20 0 JJADHN Cc1nc(-c2ccc(C(=O)NCCCCN3CCN(c4cccc(C)c4)CC3)s2)cs1 ZINC001441246792 1066020426 /nfs/dbraw/zinc/02/04/26/1066020426.db2.gz VWNQDZVBNIATAO-UHFFFAOYSA-N 0 3 454.665 4.821 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)cc2)CC1 ZINC001441313874 1066024962 /nfs/dbraw/zinc/02/49/62/1066024962.db2.gz QHXCTJAYASSPEB-UHFFFAOYSA-N 0 3 456.590 4.637 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)cc2)CC1 ZINC001441314246 1066026089 /nfs/dbraw/zinc/02/60/89/1066026089.db2.gz SNIPUQYWRSMBKC-UHFFFAOYSA-N 0 3 450.970 4.917 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CCCCC2)c1C ZINC001360879673 1066031160 /nfs/dbraw/zinc/03/11/60/1066031160.db2.gz OHOHXNICSVRMQC-FCHUYYIVSA-N 0 3 455.647 4.525 20 0 JJADHN CC1=C(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001360892570 1066044401 /nfs/dbraw/zinc/04/44/01/1066044401.db2.gz DKRMGPDQVYPGIJ-UHFFFAOYSA-N 0 3 489.133 4.796 20 0 JJADHN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)C(C)(C)N3CCCCC3)cc2)cc1 ZINC001441526350 1066048342 /nfs/dbraw/zinc/04/83/42/1066048342.db2.gz VQIBUHXXCNGZCT-UHFFFAOYSA-N 0 3 451.611 4.673 20 0 JJADHN Cc1nc(Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(CC(C)C)CC2)sc1C ZINC001360901272 1066054629 /nfs/dbraw/zinc/05/46/29/1066054629.db2.gz KVIHFXINXCNWSC-SFHVURJKSA-N 0 3 489.089 4.971 20 0 JJADHN Cc1ccsc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360918281 1066073848 /nfs/dbraw/zinc/07/38/48/1066073848.db2.gz NSWRFWALROVOLE-UHFFFAOYSA-N 0 3 491.503 4.579 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442063984 1066088776 /nfs/dbraw/zinc/08/87/76/1066088776.db2.gz SCCNBBPOBFISIF-DHLKQENFSA-N 0 3 457.977 4.952 20 0 JJADHN CC1CCN([C@H](CNC(=O)c2cnc3ncc(Br)cc3c2)c2ccccc2)CC1 ZINC001442081250 1066091069 /nfs/dbraw/zinc/09/10/69/1066091069.db2.gz XBOUYLRWFHRVEZ-OAQYLSRUSA-N 0 3 453.384 4.595 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)N(C)C ZINC001360947049 1066101939 /nfs/dbraw/zinc/10/19/39/1066101939.db2.gz WZHTXBZIMUPOLD-HXUWFJFHSA-N 0 3 452.653 4.635 20 0 JJADHN CC[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312721 1066115782 /nfs/dbraw/zinc/11/57/82/1066115782.db2.gz WIKOHFCSIYWFQF-RTBURBONSA-N 0 3 459.553 4.850 20 0 JJADHN CC[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312717 1066115824 /nfs/dbraw/zinc/11/58/24/1066115824.db2.gz WIKOHFCSIYWFQF-RBUKOAKNSA-N 0 3 459.553 4.850 20 0 JJADHN C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344625 1066118251 /nfs/dbraw/zinc/11/82/51/1066118251.db2.gz UDEPHZZYSWSSEW-UPVQGACJSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)cc1 ZINC001442591449 1066141330 /nfs/dbraw/zinc/14/13/30/1066141330.db2.gz KFGOHTNEMZIZKP-ZJSXRUAMSA-N 0 3 457.659 4.921 20 0 JJADHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001442592622 1066141661 /nfs/dbraw/zinc/14/16/61/1066141661.db2.gz MQVYKBOXGBBTEH-XPWALMASSA-N 0 3 453.583 4.512 20 0 JJADHN COc1ccc(Br)c2[nH]c(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)cc21 ZINC001442596275 1066142876 /nfs/dbraw/zinc/14/28/76/1066142876.db2.gz VLICBWNGLGJUML-FQEVSTJZSA-N 0 3 456.384 4.814 20 0 JJADHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715639 1066154612 /nfs/dbraw/zinc/15/46/12/1066154612.db2.gz DLUBAPMFSBBYLJ-XXBNENTESA-N 0 3 457.590 4.618 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCn2cccn2)n1CCN1CCCCC1 ZINC001360989382 1066161200 /nfs/dbraw/zinc/16/12/00/1066161200.db2.gz DHKCHIANVKJBLJ-OAQYLSRUSA-N 0 3 486.064 4.507 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013197 1066198809 /nfs/dbraw/zinc/19/88/09/1066198809.db2.gz DIUULPPQZBVNSZ-SANMLTNESA-N 0 3 450.623 4.513 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1nc(F)ccc1Br)Cc1ccccc1 ZINC001361013302 1066198846 /nfs/dbraw/zinc/19/88/46/1066198846.db2.gz HIYLLXYYKNUBJP-UHFFFAOYSA-N 0 3 456.359 4.758 20 0 JJADHN CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442869053 1066234752 /nfs/dbraw/zinc/23/47/52/1066234752.db2.gz JFQLKOOCVFMOFW-OFNKIYASSA-N 0 3 452.517 4.631 20 0 JJADHN Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015146 1066235345 /nfs/dbraw/zinc/23/53/45/1066235345.db2.gz QQXPLLPQVLSHJL-SQJMNOBHSA-N 0 3 453.627 4.801 20 0 JJADHN CCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442879734 1066235933 /nfs/dbraw/zinc/23/59/33/1066235933.db2.gz QVUSEFYTBHEWGL-XZOQPEGZSA-N 0 3 457.659 4.783 20 0 JJADHN Cc1nc(CN2CCC(C(=O)N3CC(C)(C)N(Cc4ccccc4)CC3(C)C)CC2)cs1 ZINC001454116368 1066246857 /nfs/dbraw/zinc/24/68/57/1066246857.db2.gz JIOKKRWREXSVTQ-UHFFFAOYSA-N 0 3 454.684 4.565 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)CC1 ZINC001454113973 1066247032 /nfs/dbraw/zinc/24/70/32/1066247032.db2.gz CHSUTTAVZJJICJ-UHFFFAOYSA-N 0 3 457.659 4.925 20 0 JJADHN CC1(C)CN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C(C)(C)CN1Cc1ccccc1 ZINC001454122565 1066247866 /nfs/dbraw/zinc/24/78/66/1066247866.db2.gz WSPRNRWBTDSIRL-JOCHJYFZSA-N 0 3 454.014 4.595 20 0 JJADHN CC1(C)CN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C(C)(C)CN1Cc1ccccc1 ZINC001454122568 1066248475 /nfs/dbraw/zinc/24/84/75/1066248475.db2.gz WSPRNRWBTDSIRL-QFIPXVFZSA-N 0 3 454.014 4.595 20 0 JJADHN CN(C(=O)c1sc(-c2ccccc2)nc1C(F)F)C1CCN(CCc2ccccn2)CC1 ZINC001443010920 1066252643 /nfs/dbraw/zinc/25/26/43/1066252643.db2.gz KDCVVNAFMMTKEL-UHFFFAOYSA-N 0 3 456.562 4.922 20 0 JJADHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308022 1066267916 /nfs/dbraw/zinc/26/79/16/1066267916.db2.gz DKQZMYNPYDXOJO-VSGBNLITSA-N 0 3 459.609 4.726 20 0 JJADHN CC[C@@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546060042 1066271531 /nfs/dbraw/zinc/27/15/31/1066271531.db2.gz UQTIVUDEIRPQHN-RLWLMLJZSA-N 0 3 487.714 4.705 20 0 JJADHN CCN1CCN(C[C@H](C)CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 ZINC001443430896 1066310274 /nfs/dbraw/zinc/31/02/74/1066310274.db2.gz PQOFBXQYNMLTHR-GOSISDBHSA-N 0 3 457.665 4.790 20 0 JJADHN COC(=O)C1CCN(CCCNC(=O)c2cc(-c3ccccc3)nc3cc(C)c(C)cc32)CC1 ZINC001443456397 1066314139 /nfs/dbraw/zinc/31/41/39/1066314139.db2.gz LNSSOBNKYSECPI-UHFFFAOYSA-N 0 3 459.590 4.524 20 0 JJADHN CN1CCN(c2ccnc(NC(=O)[C@@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649894 1066314262 /nfs/dbraw/zinc/31/42/62/1066314262.db2.gz NSRYNFFSKFCEEF-QHCPKHFHSA-N 0 3 454.546 4.584 20 0 JJADHN COC(=O)C1CCN(CCCNC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 ZINC001443460406 1066314816 /nfs/dbraw/zinc/31/48/16/1066314816.db2.gz PPGPPMGAYKWGFU-XMMPIXPASA-N 0 3 454.636 4.528 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CC=CCO1 ZINC001361091071 1066340339 /nfs/dbraw/zinc/34/03/39/1066340339.db2.gz MJPXXFSWAIXVPA-JOCHJYFZSA-N 0 3 488.076 4.517 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001361091627 1066341481 /nfs/dbraw/zinc/34/14/81/1066341481.db2.gz RPJFVPBLFOFJFB-UHFFFAOYSA-N 0 3 488.076 4.519 20 0 JJADHN Cc1cc(F)ccc1CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001361094766 1066345047 /nfs/dbraw/zinc/34/50/47/1066345047.db2.gz JQQBWOCZWQYDBJ-UHFFFAOYSA-N 0 3 464.633 4.512 20 0 JJADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012590 1066353510 /nfs/dbraw/zinc/35/35/10/1066353510.db2.gz PVHASTWWMYLSJM-FGCOXFRFSA-N 0 3 451.611 4.588 20 0 JJADHN CC1(C)CN([C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001443703959 1066353749 /nfs/dbraw/zinc/35/37/49/1066353749.db2.gz MWAFXIWBNIRTTO-QFIPXVFZSA-N 0 3 455.002 4.526 20 0 JJADHN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962367 1066368014 /nfs/dbraw/zinc/36/80/14/1066368014.db2.gz BIQNLEAADXVTHR-BBTUJRGHSA-N 0 3 455.578 4.762 20 0 JJADHN Cc1ccc([C@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)N(C)C)cc1 ZINC001361140918 1066419518 /nfs/dbraw/zinc/41/95/18/1066419518.db2.gz ITNGXYLEHVDTKO-DEOSSOPVSA-N 0 3 476.028 4.560 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@@H]3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141287 1066420053 /nfs/dbraw/zinc/42/00/53/1066420053.db2.gz MBPBIDWKLCDLJJ-YDHSSHFGSA-N 0 3 452.672 4.870 20 0 JJADHN Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001361142461 1066424254 /nfs/dbraw/zinc/42/42/54/1066424254.db2.gz ZRBCJOKWSVBQAL-UNMCSNQZSA-N 0 3 472.559 4.654 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@H]1CCCN(C)C1 ZINC001444212506 1066430039 /nfs/dbraw/zinc/43/00/39/1066430039.db2.gz UQBFZBFMHKNGIN-QFIPXVFZSA-N 0 3 450.970 4.754 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCN2CCCCC2)c1 ZINC001361156385 1066458879 /nfs/dbraw/zinc/45/88/79/1066458879.db2.gz UDTKJXXRLXFOSQ-QHCPKHFHSA-N 0 3 469.674 4.744 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cc(OCc2ccccc2)cs1 ZINC001444564540 1066477242 /nfs/dbraw/zinc/47/72/42/1066477242.db2.gz UCGYPVOZFPMYAZ-UHFFFAOYSA-N 0 3 454.567 4.739 20 0 JJADHN Cc1onc(-c2cccc(F)c2)c1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444644863 1066487295 /nfs/dbraw/zinc/48/72/95/1066487295.db2.gz ASOHVVUXMAHIPV-UHFFFAOYSA-N 0 3 457.933 4.716 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc2sccc2nc1Cl ZINC001444650286 1066488902 /nfs/dbraw/zinc/48/89/02/1066488902.db2.gz OINKXFOOZIJRJO-UHFFFAOYSA-N 0 3 450.391 4.876 20 0 JJADHN O=C(Cc1ccccc1OC1CCCC1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444653646 1066488983 /nfs/dbraw/zinc/48/89/83/1066488983.db2.gz UYYLHJBIDIRIFT-UHFFFAOYSA-N 0 3 457.014 4.864 20 0 JJADHN COC(=O)C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660394 1066489579 /nfs/dbraw/zinc/48/95/79/1066489579.db2.gz DXVPDAGYRACGQO-URXFXBBRSA-N 0 3 454.586 4.756 20 0 JJADHN Cc1ccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CCN(C)Cc2ccc(F)cc2)o1 ZINC001361175076 1066491681 /nfs/dbraw/zinc/49/16/81/1066491681.db2.gz BKOAXPNBKXJVMA-QGZVFWFLSA-N 0 3 468.602 4.814 20 0 JJADHN COc1ccc(-c2nc(C)sc2CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1 ZINC001456052489 1066493788 /nfs/dbraw/zinc/49/37/88/1066493788.db2.gz DQHOOGXVCFYMGT-UHFFFAOYSA-N 0 3 459.562 4.538 20 0 JJADHN CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001456053468 1066494452 /nfs/dbraw/zinc/49/44/52/1066494452.db2.gz GKQWVCJEDQSCRL-ZRDIBKRKSA-N 0 3 453.533 4.905 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001456058369 1066497435 /nfs/dbraw/zinc/49/74/35/1066497435.db2.gz PWAZOIVKSAVGPN-FQEVSTJZSA-N 0 3 454.439 4.705 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001456060358 1066498550 /nfs/dbraw/zinc/49/85/50/1066498550.db2.gz VMCNARVDBSAKLC-AWEZNQCLSA-N 0 3 457.771 4.599 20 0 JJADHN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001444737747 1066499637 /nfs/dbraw/zinc/49/96/37/1066499637.db2.gz AXPDMALXAHAJPM-UHFFFAOYSA-N 0 3 456.011 4.659 20 0 JJADHN C[C@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CCN1Cc1ccccc1 ZINC001444902961 1066517389 /nfs/dbraw/zinc/51/73/89/1066517389.db2.gz GYGCNQWHBKAZEN-JEYPMZLKSA-N 0 3 455.643 4.679 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361198015 1066526237 /nfs/dbraw/zinc/52/62/37/1066526237.db2.gz FNMJBLYTBMACEB-UGKGYDQZSA-N 0 3 498.697 4.588 20 0 JJADHN O=C(Oc1ccc(Br)c(F)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001456201065 1066536779 /nfs/dbraw/zinc/53/67/79/1066536779.db2.gz YZRUSYYQCQDKCG-IAGOWNOFSA-N 0 3 461.356 4.866 20 0 JJADHN Cc1ccc(CN(C)C)cc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC001445288529 1066554296 /nfs/dbraw/zinc/55/42/96/1066554296.db2.gz FEUQONYMBMXOGD-UHFFFAOYSA-N 0 3 456.637 4.518 20 0 JJADHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccn1-c1cccc(I)c1 ZINC001445291173 1066554535 /nfs/dbraw/zinc/55/45/35/1066554535.db2.gz JLJBYCKHJSIHDR-UHFFFAOYSA-N 0 3 459.331 4.704 20 0 JJADHN Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H](c2cccs2)N(C)C)cc1Br ZINC001361229335 1066568658 /nfs/dbraw/zinc/56/86/58/1066568658.db2.gz PZBTZKQIIKKRHP-APWZRJJASA-N 0 3 490.471 4.606 20 0 JJADHN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546082751 1066594551 /nfs/dbraw/zinc/59/45/51/1066594551.db2.gz CCNXITCNYVLTGJ-CTIGNXTNSA-N 0 3 487.645 4.927 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361251404 1066598998 /nfs/dbraw/zinc/59/89/98/1066598998.db2.gz QSSMWVCFAUTXNY-LJQANCHMSA-N 0 3 457.003 4.896 20 0 JJADHN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CN1Cc1ccccc1 ZINC001445784969 1066616800 /nfs/dbraw/zinc/61/68/00/1066616800.db2.gz GONWHNAKJPQGOI-CJNGLKHVSA-N 0 3 457.290 4.741 20 0 JJADHN Cc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001361272823 1066628104 /nfs/dbraw/zinc/62/81/04/1066628104.db2.gz RLTYPFFQKUTMCZ-UHFFFAOYSA-N 0 3 459.425 4.782 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](COCc3ccccc3)c3ccccc3)cc2)CC1 ZINC001456586478 1066633773 /nfs/dbraw/zinc/63/37/73/1066633773.db2.gz NJLVSXXLJCFHNL-MUUNZHRXSA-N 0 3 457.618 4.905 20 0 JJADHN Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(C)C)CC2)c(OCC2CC2)c1 ZINC001361284167 1066642400 /nfs/dbraw/zinc/64/24/00/1066642400.db2.gz ASPIISFLEZMKFX-UHFFFAOYSA-N 0 3 453.675 4.790 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085169 1066657537 /nfs/dbraw/zinc/65/75/37/1066657537.db2.gz GQMSFOFZFNZLPK-DHLKQENFSA-N 0 3 452.595 4.862 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc3c(Br)cccc3cn2)cc1 ZINC001446356162 1066695591 /nfs/dbraw/zinc/69/55/91/1066695591.db2.gz STTFIEKTXCWWKJ-JOCHJYFZSA-N 0 3 454.368 4.573 20 0 JJADHN CCOc1ccccc1[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001446561398 1066720734 /nfs/dbraw/zinc/72/07/34/1066720734.db2.gz AMVLOOKLVCBZKB-QFIPXVFZSA-N 0 3 459.631 4.518 20 0 JJADHN Cc1csc(CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001492644299 1066741827 /nfs/dbraw/zinc/74/18/27/1066741827.db2.gz ZQWIUNMNFBOBJY-NRFANRHFSA-N 0 3 474.719 4.518 20 0 JJADHN Cc1c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC001457031130 1066748514 /nfs/dbraw/zinc/74/85/14/1066748514.db2.gz BWQGHPPDOGHVEU-UHFFFAOYSA-N 0 3 453.590 4.659 20 0 JJADHN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492648048 1066752856 /nfs/dbraw/zinc/75/28/56/1066752856.db2.gz HYSYPZQISVHSKS-QHCPKHFHSA-N 0 3 481.645 4.588 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001492671559 1066802739 /nfs/dbraw/zinc/80/27/39/1066802739.db2.gz ZBECSSPIPGRXLW-DRSNIGMVSA-N 0 3 456.635 4.701 20 0 JJADHN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671991 1066803876 /nfs/dbraw/zinc/80/38/76/1066803876.db2.gz KJLUKRLQEQQPFW-KNQAVFIVSA-N 0 3 470.662 4.948 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492674795 1066809916 /nfs/dbraw/zinc/80/99/16/1066809916.db2.gz IGKTXTBFUBWFID-FQEVSTJZSA-N 0 3 495.455 4.975 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001492680318 1066822587 /nfs/dbraw/zinc/82/25/87/1066822587.db2.gz IUFNXRQHNGZALC-UHFFFAOYSA-N 0 3 494.587 4.501 20 0 JJADHN Cc1nn(C)c(C)c1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492720479 1066890053 /nfs/dbraw/zinc/89/00/53/1066890053.db2.gz PUWANIHTVBEUFS-OAQYLSRUSA-N 0 3 497.663 4.514 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001448029178 1066892168 /nfs/dbraw/zinc/89/21/68/1066892168.db2.gz QLWZEKONZWLCSM-AOMKIAJQSA-N 0 3 455.400 4.673 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126012 1066902548 /nfs/dbraw/zinc/90/25/48/1066902548.db2.gz SYQZULJSRMSQRC-VXNXHJTFSA-N 0 3 457.659 4.542 20 0 JJADHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001457738012 1066907676 /nfs/dbraw/zinc/90/76/76/1066907676.db2.gz FRUZHXVMQLHFFX-GOSISDBHSA-N 0 3 459.306 4.832 20 0 JJADHN Cc1cc(C)n(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001492760802 1066933380 /nfs/dbraw/zinc/93/33/80/1066933380.db2.gz SGQZTSXXOMPVBS-XMMPIXPASA-N 0 3 493.700 4.859 20 0 JJADHN Cc1nnc(CCCn2c(Cc3ccccc3C)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001492766556 1066938998 /nfs/dbraw/zinc/93/89/98/1066938998.db2.gz POCCAMXSGCHUFH-UHFFFAOYSA-N 0 3 481.714 4.528 20 0 JJADHN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001492944937 1066961134 /nfs/dbraw/zinc/96/11/34/1066961134.db2.gz VFTJVXYRPMUYLK-MOPGFXCFSA-N 0 3 466.438 4.836 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093042 1066972730 /nfs/dbraw/zinc/97/27/30/1066972730.db2.gz ILZSSWQLVITOCG-LJQANCHMSA-N 0 3 459.928 4.726 20 0 JJADHN CCN1CCN(Cc2ccccc2CNc2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 ZINC001458099465 1066974868 /nfs/dbraw/zinc/97/48/68/1066974868.db2.gz OELLECPWVPNKHY-UHFFFAOYSA-N 0 3 455.528 4.912 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N2CC(C3CCCC3)C2)CCN(Cc2ccccc2)CC1 ZINC001448984921 1066975301 /nfs/dbraw/zinc/97/53/01/1066975301.db2.gz BXYYGYBHRVXZPB-UHFFFAOYSA-N 0 3 455.643 4.585 20 0 JJADHN Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001458124289 1066982709 /nfs/dbraw/zinc/98/27/09/1066982709.db2.gz KHSATBLAZAFDRY-QGZVFWFLSA-N 0 3 457.347 4.792 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731386 1066990754 /nfs/dbraw/zinc/99/07/54/1066990754.db2.gz NRRNIGFVHBRNTM-HKTPZVOJSA-N 0 3 453.675 4.680 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731949 1066992632 /nfs/dbraw/zinc/99/26/32/1066992632.db2.gz VOQOHMGISFNWMM-FAKFISEUSA-N 0 3 482.698 4.951 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)CSc1nc(-c2cccc(C)c2)no1)c1ccc(Cl)cc1 ZINC001449263552 1066993774 /nfs/dbraw/zinc/99/37/74/1066993774.db2.gz KAWTXLRFZXFNDI-FQEVSTJZSA-N 0 3 459.015 4.990 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(C)C)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545734040 1066994509 /nfs/dbraw/zinc/99/45/09/1066994509.db2.gz MIDHAZBQMMNWDN-AREMUKBSSA-N 0 3 466.718 4.720 20 0 JJADHN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001449365722 1067004512 /nfs/dbraw/zinc/00/45/12/1067004512.db2.gz DYNLSWUWAJZWBY-LJQANCHMSA-N 0 3 452.396 4.915 20 0 JJADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001449375115 1067005370 /nfs/dbraw/zinc/00/53/70/1067005370.db2.gz RJMBPGJBGUFARG-FQEVSTJZSA-N 0 3 456.455 4.744 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001545748493 1067017640 /nfs/dbraw/zinc/01/76/40/1067017640.db2.gz BFFTUXXLNICPAR-BJKOFHAPSA-N 0 3 451.659 4.866 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@@H]2C(C)C)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545750045 1067021795 /nfs/dbraw/zinc/02/17/95/1067021795.db2.gz XJUZITTXFRDXNG-LGPLSSKUSA-N 0 3 466.718 4.718 20 0 JJADHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805208 1067030225 /nfs/dbraw/zinc/03/02/25/1067030225.db2.gz XZCYTZOOLFKXBO-IBGZPJMESA-N 0 3 453.435 4.862 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545758259 1067037011 /nfs/dbraw/zinc/03/70/11/1067037011.db2.gz CVXCAZUPWFWULN-QHCPKHFHSA-N 0 3 466.699 4.914 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545758706 1067039958 /nfs/dbraw/zinc/03/99/58/1067039958.db2.gz LQLBCUZNFHABJZ-HSZRJFAPSA-N 0 3 482.717 4.541 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759344 1067041901 /nfs/dbraw/zinc/04/19/01/1067041901.db2.gz WPUFIAUHQHKGRY-LBNVMWSVSA-N 0 3 467.702 4.929 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107378 1067050070 /nfs/dbraw/zinc/05/00/70/1067050070.db2.gz AWUVBNNUPCANKT-XMMPIXPASA-N 0 3 459.675 4.824 20 0 JJADHN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001545787920 1067083202 /nfs/dbraw/zinc/08/32/02/1067083202.db2.gz BPUGLCFNKADWTR-UHFFFAOYSA-N 0 3 460.066 4.792 20 0 JJADHN C[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541387 1067088437 /nfs/dbraw/zinc/08/84/37/1067088437.db2.gz OBUJTSLYGDVGHT-AUSIDOKSSA-N 0 3 455.549 4.538 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)N(C)C)cc1 ZINC001450546839 1067089415 /nfs/dbraw/zinc/08/94/15/1067089415.db2.gz RGEBMEPXZIZIHY-RCZVLFRGSA-N 0 3 452.643 4.700 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cc2)CC1 ZINC001458599498 1067092559 /nfs/dbraw/zinc/09/25/59/1067092559.db2.gz YLIZRRKAAFXKMM-OAQYLSRUSA-N 0 3 456.030 4.802 20 0 JJADHN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001546102506 1067099619 /nfs/dbraw/zinc/09/96/19/1067099619.db2.gz ZGDMNXSNIXVGBC-JJPBMRITSA-N 0 3 475.703 4.566 20 0 JJADHN CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001458669814 1067104944 /nfs/dbraw/zinc/10/49/44/1067104944.db2.gz PJGJEFOKGJXRAI-KRWDZBQOSA-N 0 3 453.327 4.787 20 0 JJADHN CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001458671105 1067105084 /nfs/dbraw/zinc/10/50/84/1067105084.db2.gz RZWSPCRLNAFAPB-JOCHJYFZSA-N 0 3 452.986 4.836 20 0 JJADHN CC(C)[C@@H]1C[C@@H](CC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CCO1 ZINC001450698379 1067106030 /nfs/dbraw/zinc/10/60/30/1067106030.db2.gz XVRNRQJFNPMRLV-AVRDEDQJSA-N 0 3 451.449 4.713 20 0 JJADHN CN(CCCN(C)C(=O)c1ccsc1NC(=O)c1ccccc1Cl)Cc1ccncc1 ZINC001450725217 1067110875 /nfs/dbraw/zinc/11/08/75/1067110875.db2.gz UPRDYDGWYWAMQS-UHFFFAOYSA-N 0 3 456.999 4.643 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)N(C)C)cc1 ZINC001450776517 1067119033 /nfs/dbraw/zinc/11/90/33/1067119033.db2.gz ATXIFLWHLDMTME-RPWUZVMVSA-N 0 3 453.627 4.870 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)N1CCOCC1 ZINC001545807749 1067128181 /nfs/dbraw/zinc/12/81/81/1067128181.db2.gz NSGCQDOQXHRODZ-HSZRJFAPSA-N 0 3 487.048 4.668 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1)N1CCOCC1 ZINC001545808063 1067130979 /nfs/dbraw/zinc/13/09/79/1067130979.db2.gz RPYSNGLVYKKYRF-RUZDIDTESA-N 0 3 497.728 4.995 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(F)F)C1)N1CCOCC1 ZINC001545807963 1067130992 /nfs/dbraw/zinc/13/09/92/1067130992.db2.gz QBWXEGHTARHFBW-GMAHTHKFSA-N 0 3 491.627 4.572 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)N1CCOCC1 ZINC001545808399 1067134355 /nfs/dbraw/zinc/13/43/55/1067134355.db2.gz XQRZMKATMSVXHV-MZKRTTBSSA-N 0 3 475.628 4.810 20 0 JJADHN O=C(NCc1cccc(Br)c1Cl)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001451519104 1067176001 /nfs/dbraw/zinc/17/60/01/1067176001.db2.gz ALQLZLUHQPHWOF-INIZCTEOSA-N 0 3 457.746 4.876 20 0 JJADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001451566113 1067178446 /nfs/dbraw/zinc/17/84/46/1067178446.db2.gz CCHJHSPXKVSZRU-UHFFFAOYSA-N 0 3 458.480 4.722 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545833919 1067184267 /nfs/dbraw/zinc/18/42/67/1067184267.db2.gz PNMJLSJVURXTGM-GOSISDBHSA-N 0 3 493.071 4.746 20 0 JJADHN O=C(CSc1cccc2cccc(Cl)c21)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001458977493 1067215693 /nfs/dbraw/zinc/21/56/93/1067215693.db2.gz YIYRRFFEMPLUPB-OAQYLSRUSA-N 0 3 455.023 4.993 20 0 JJADHN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001546104938 1067220729 /nfs/dbraw/zinc/22/07/29/1067220729.db2.gz OEWDXFPRMSYCNW-WNCULLNHSA-N 0 3 469.674 4.638 20 0 JJADHN Cc1nc(CSc2ccc(C(=O)NCC3CCN(Cc4ccncc4)CC3)cc2)cs1 ZINC001452962009 1067268086 /nfs/dbraw/zinc/26/80/86/1067268086.db2.gz ALKOATYFWFUEHW-UHFFFAOYSA-N 0 3 452.649 4.781 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC001453146292 1067283785 /nfs/dbraw/zinc/28/37/85/1067283785.db2.gz RNCYJIWUHPCEFD-UHFFFAOYSA-N 0 3 450.970 4.508 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)C(C)(C)c3ccc(Br)c(C)c3)CC2)c1 ZINC001453152860 1067284179 /nfs/dbraw/zinc/28/41/79/1067284179.db2.gz ZUKCWSQOJMJRGG-UHFFFAOYSA-N 0 3 459.428 4.825 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)c2C1 ZINC001453162614 1067284760 /nfs/dbraw/zinc/28/47/60/1067284760.db2.gz IDBNBAOCVXNIKP-HXUWFJFHSA-N 0 3 453.558 4.927 20 0 JJADHN C[C@H](C(=O)N(C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC001453273285 1067293166 /nfs/dbraw/zinc/29/31/66/1067293166.db2.gz YAAJLBQXZTVKPW-QGZVFWFLSA-N 0 3 458.528 4.883 20 0 JJADHN CN(C[C@@H](O)CN(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1)CC(F)(F)F ZINC001459349099 1067300610 /nfs/dbraw/zinc/30/06/10/1067300610.db2.gz KUKCPHOGCORVJA-OAHLLOKOSA-N 0 3 450.423 4.785 20 0 JJADHN CC(C)CN(CCc1ccc(F)cc1)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459382348 1067309346 /nfs/dbraw/zinc/30/93/46/1067309346.db2.gz AGEQUENYZVUAJF-UHFFFAOYSA-N 0 3 454.586 4.683 20 0 JJADHN C[C@@H]1CCC[C@@H](N(CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392891 1067311940 /nfs/dbraw/zinc/31/19/40/1067311940.db2.gz LVPATRCIGNGRIF-SELNLUPBSA-N 0 3 459.608 4.525 20 0 JJADHN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CCN(c2ccccn2)CC1 ZINC001459662566 1067374945 /nfs/dbraw/zinc/37/49/45/1067374945.db2.gz PESUTOPDXZIOSH-UHFFFAOYSA-N 0 3 454.924 4.931 20 0 JJADHN O=C(CCN1CC=C(c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC001459696127 1067387105 /nfs/dbraw/zinc/38/71/05/1067387105.db2.gz SQKCLVWQXMLILC-UHFFFAOYSA-N 0 3 459.512 4.660 20 0 JJADHN COc1ccc(-c2nc(NC(=O)CN[C@H](C[C@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818446 1067437615 /nfs/dbraw/zinc/43/76/15/1067437615.db2.gz RTJGWFYMHSAPCO-XMSQKQJNSA-N 0 3 451.592 4.823 20 0 JJADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830827 1067443701 /nfs/dbraw/zinc/44/37/01/1067443701.db2.gz MOILUQGKOQTRSK-VWLOTQADSA-N 0 3 455.618 4.636 20 0 JJADHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836714 1067446972 /nfs/dbraw/zinc/44/69/72/1067446972.db2.gz OXXLKGQQSNUOHT-URXFXBBRSA-N 0 3 458.574 4.590 20 0 JJADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841250 1067448637 /nfs/dbraw/zinc/44/86/37/1067448637.db2.gz DYMRTXPNSWSTOU-VWLOTQADSA-N 0 3 458.046 4.760 20 0 JJADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844365 1067451172 /nfs/dbraw/zinc/45/11/72/1067451172.db2.gz RZFQTKFGTYNKCC-HFAGJRCMSA-N 0 3 459.558 4.504 20 0 JJADHN C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1-c1ccc(Cl)cc1 ZINC001459845135 1067451516 /nfs/dbraw/zinc/45/15/16/1067451516.db2.gz QWJSVSUXJLWXMS-CQSZACIVSA-N 0 3 453.995 4.945 20 0 JJADHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848193 1067453736 /nfs/dbraw/zinc/45/37/36/1067453736.db2.gz GKJYVAYXLMSTGP-ZWKOTPCHSA-N 0 3 459.575 4.864 20 0 JJADHN CC[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851797 1067456198 /nfs/dbraw/zinc/45/61/98/1067456198.db2.gz HGZOOBJSQFNWGE-LEWJYISDSA-N 0 3 451.394 4.769 20 0 JJADHN O=C(CN[C@H](c1ccc(Cl)cc1)C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001459853117 1067457737 /nfs/dbraw/zinc/45/77/37/1067457737.db2.gz YBXLCINUJYTKGY-QHCPKHFHSA-N 0 3 457.958 4.671 20 0 JJADHN Cc1cc(NC(=O)CN[C@@H](COc2c(C)cccc2C)C(C)(C)C)n(-c2ccc(F)cc2)n1 ZINC001459869895 1067466917 /nfs/dbraw/zinc/46/69/17/1067466917.db2.gz MTCVXTXLAFYPRY-QFIPXVFZSA-N 0 3 452.574 4.958 20 0 JJADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@@H](C)c1ccc(C)s1 ZINC001459905125 1067482579 /nfs/dbraw/zinc/48/25/79/1067482579.db2.gz JLSWFZQCADGMOV-INIZCTEOSA-N 0 3 453.564 4.615 20 0 JJADHN COc1cc(Br)ccc1CCCN[C@@H](CCO)c1ccccc1Br ZINC001459935777 1067498608 /nfs/dbraw/zinc/49/86/08/1067498608.db2.gz SFICFZMGGMAEMQ-SFHVURJKSA-N 0 3 457.206 4.866 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944948 1067501879 /nfs/dbraw/zinc/50/18/79/1067501879.db2.gz YGTKUBMAPVWTGB-WWNPGLIZSA-N 0 3 458.002 4.544 20 0 JJADHN COc1cc(Br)ccc1[C@@H](C)NCCC(=O)Nc1ccccc1Br ZINC001459955450 1067505684 /nfs/dbraw/zinc/50/56/84/1067505684.db2.gz HEXHRGZTKYURPH-GFCCVEGCSA-N 0 3 456.178 4.900 20 0 JJADHN Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958665 1067507787 /nfs/dbraw/zinc/50/77/87/1067507787.db2.gz GWPSVIPISRTHDG-ZWKOTPCHSA-N 0 3 455.400 4.846 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039527 1067536528 /nfs/dbraw/zinc/53/65/28/1067536528.db2.gz LKZBYZCQXZOWOY-YCZSINBZSA-N 0 3 455.624 4.591 20 0 JJADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC001460072721 1067546502 /nfs/dbraw/zinc/54/65/02/1067546502.db2.gz CVWQAFNOUYUMPQ-UHFFFAOYSA-N 0 3 455.411 4.775 20 0 JJADHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460086738 1067550335 /nfs/dbraw/zinc/55/03/35/1067550335.db2.gz WJLQKRZINMLIOJ-YKSBVNFPSA-N 0 3 453.652 4.656 20 0 JJADHN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)C[C@@H](C)C3)cc2)c1 ZINC001460122427 1067559335 /nfs/dbraw/zinc/55/93/35/1067559335.db2.gz UQYZCSQRUOQGKT-HSZRJFAPSA-N 0 3 455.602 4.519 20 0 JJADHN O[C@H](CN(CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175270 1067570989 /nfs/dbraw/zinc/57/09/89/1067570989.db2.gz MKPDEMBDLJJBMA-GOSISDBHSA-N 0 3 451.819 4.672 20 0 JJADHN C[C@H](NCC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(Br)cc1F ZINC001460187048 1067574625 /nfs/dbraw/zinc/57/46/25/1067574625.db2.gz WYXMQRDQBFORLH-NACYADMMSA-N 0 3 457.384 4.532 20 0 JJADHN CN1CC[C@H](NCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001460192552 1067575676 /nfs/dbraw/zinc/57/56/76/1067575676.db2.gz NJERACJHWBQPMI-FUDKSRODSA-N 0 3 450.385 4.831 20 0 JJADHN CN1CC[C@H](NCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001460192554 1067575748 /nfs/dbraw/zinc/57/57/48/1067575748.db2.gz NJERACJHWBQPMI-QZNHQXDQSA-N 0 3 450.385 4.831 20 0 JJADHN COC(=O)[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)C[C@@H]1c1ccccc1 ZINC001460203667 1067578155 /nfs/dbraw/zinc/57/81/55/1067578155.db2.gz OHHBOQDJNYVEBM-IAGOWNOFSA-N 0 3 472.301 4.779 20 0 JJADHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001460230681 1067584926 /nfs/dbraw/zinc/58/49/26/1067584926.db2.gz XETPESCFGBJHLA-IDNQLYMWSA-N 0 3 458.668 4.559 20 0 JJADHN C[C@@H]1C[C@H](C)N(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269628 1067594235 /nfs/dbraw/zinc/59/42/35/1067594235.db2.gz GJBMPBXBYPYULM-ZIFCJYIRSA-N 0 3 453.023 4.915 20 0 JJADHN C[C@@H]1CC2(CN1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279156 1067596656 /nfs/dbraw/zinc/59/66/56/1067596656.db2.gz YCQSPBDXJZFBDT-APWZRJJASA-N 0 3 453.421 4.594 20 0 JJADHN Cc1ccc(S(=O)(=O)c2ccc(CN[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2)cc1 ZINC001460280567 1067597031 /nfs/dbraw/zinc/59/70/31/1067597031.db2.gz RWNOCLSNWPSABF-DHIUTWEWSA-N 0 3 458.624 4.753 20 0 JJADHN CCc1ccccc1Nc1nc(N)nc(CN2CC(C)(C)N(Cc3ccccc3)CC2(C)C)n1 ZINC001460523557 1067649176 /nfs/dbraw/zinc/64/91/76/1067649176.db2.gz MZZGNEQDHWQMEY-UHFFFAOYSA-N 0 3 459.642 4.635 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CN3CC=C(c4ccc(Cl)cc4C)CC3)cc2)CC1 ZINC001460582991 1067661753 /nfs/dbraw/zinc/66/17/53/1067661753.db2.gz XPGWNJOBOJKHFK-UHFFFAOYSA-N 0 3 453.030 4.518 20 0 JJADHN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC001460636946 1067680947 /nfs/dbraw/zinc/68/09/47/1067680947.db2.gz LBBIHSRPJSXJRZ-XXBNENTESA-N 0 3 459.556 4.916 20 0 JJADHN COc1cc(Br)ccc1CCCN1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662453 1067692462 /nfs/dbraw/zinc/69/24/62/1067692462.db2.gz UAUBGODNGNKDNI-MOPGFXCFSA-N 0 3 453.421 4.864 20 0 JJADHN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CNC1([C@@H]2CCCCO2)CCC1 ZINC001460673371 1067696041 /nfs/dbraw/zinc/69/60/41/1067696041.db2.gz DFPWAAWGYGSIMJ-IBGZPJMESA-N 0 3 456.608 4.920 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001460675701 1067697057 /nfs/dbraw/zinc/69/70/57/1067697057.db2.gz PLVRACGGQTZILA-OAQYLSRUSA-N 0 3 459.631 4.859 20 0 JJADHN CCc1nc(C(C)C)ccc1C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703417 1067704925 /nfs/dbraw/zinc/70/49/25/1067704925.db2.gz BKKQXSDONCVKCX-UHFFFAOYSA-N 0 3 455.046 4.848 20 0 JJADHN CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460710760 1067706261 /nfs/dbraw/zinc/70/62/61/1067706261.db2.gz SMMDZUOOACRSLY-XMMPIXPASA-N 0 3 456.030 4.619 20 0 JJADHN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@H](CC)c1cccc2ccccc21 ZINC001460792010 1067724421 /nfs/dbraw/zinc/72/44/21/1067724421.db2.gz HZRBYJCZFDOQKP-XMMPIXPASA-N 0 3 456.546 4.882 20 0 JJADHN Cc1cc(Br)cc(C)c1NC(=O)CCCN1Cc2ncccc2N2CCC[C@H]2C1 ZINC001460908385 1067746303 /nfs/dbraw/zinc/74/63/03/1067746303.db2.gz CQGOCCAOPLKZPY-IBGZPJMESA-N 0 3 457.416 4.664 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@@H](C)Cc1cccnc1 ZINC001460934618 1067750519 /nfs/dbraw/zinc/75/05/19/1067750519.db2.gz VPOIHQFQJFZCDT-HNNXBMFYSA-N 0 3 457.983 4.800 20 0 JJADHN COc1ccc([C@@H](CNCc2cc(Cl)c(OC(C)C)cc2Cl)N2CCOCC2)cc1 ZINC001461015291 1067762351 /nfs/dbraw/zinc/76/23/51/1067762351.db2.gz UUDWCBFHJLBTFW-JOCHJYFZSA-N 0 3 453.410 4.952 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001461050159 1067769631 /nfs/dbraw/zinc/76/96/31/1067769631.db2.gz KQAONWCRLDGOKV-MZNJEOGPSA-N 0 3 456.993 4.833 20 0 JJADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC001461061910 1067773108 /nfs/dbraw/zinc/77/31/08/1067773108.db2.gz IUNUOVGSKCKEDF-HNNXBMFYSA-N 0 3 450.029 4.660 20 0 JJADHN C[C@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001461092714 1067780726 /nfs/dbraw/zinc/78/07/26/1067780726.db2.gz LBLVHJOYMIFBQD-GJZGRUSLSA-N 0 3 451.792 4.642 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNc1cccc(CN2CCN(C)CC2)c1 ZINC001461096161 1067781371 /nfs/dbraw/zinc/78/13/71/1067781371.db2.gz IDVZMEAXDZQOFG-UHFFFAOYSA-N 0 3 458.437 4.906 20 0 JJADHN CC[C@@H](C)CN(C)c1ccc(F)cc1CNCCNC(=O)c1cccc(Br)c1 ZINC001461205620 1067799049 /nfs/dbraw/zinc/79/90/49/1067799049.db2.gz XPFNVASNQOIZES-MRXNPFEDSA-N 0 3 450.396 4.590 20 0 JJADHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223364 1067803133 /nfs/dbraw/zinc/80/31/33/1067803133.db2.gz ANRVIPKYIPNHAZ-FUHWJXTLSA-N 0 3 455.407 4.691 20 0 JJADHN COc1cc(CN[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237891 1067806896 /nfs/dbraw/zinc/80/68/96/1067806896.db2.gz FSJYGNWVLYCLSD-WYRIXSBYSA-N 0 3 450.309 4.866 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461240951 1067807562 /nfs/dbraw/zinc/80/75/62/1067807562.db2.gz XZOQNOSBLWJBSS-RBZFPXEDSA-N 0 3 452.755 4.947 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461240959 1067807959 /nfs/dbraw/zinc/80/79/59/1067807959.db2.gz XZOQNOSBLWJBSS-ZUOKHONESA-N 0 3 452.755 4.947 20 0 JJADHN CCc1nc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273026 1067815363 /nfs/dbraw/zinc/81/53/63/1067815363.db2.gz OUEFQBCSUBMBFH-HSZRJFAPSA-N 0 3 458.393 4.531 20 0 JJADHN CCc1nc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001461273035 1067815672 /nfs/dbraw/zinc/81/56/72/1067815672.db2.gz OUEFQBCSUBMBFH-QHCPKHFHSA-N 0 3 458.393 4.531 20 0 JJADHN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2cnc3ccc(Br)cn23)cc1 ZINC001461286004 1067818004 /nfs/dbraw/zinc/81/80/04/1067818004.db2.gz SOVRIIDBTCVEJR-OAHLLOKOSA-N 0 3 459.388 4.972 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(CCNCc2ccccc2I)cc1 ZINC001461286792 1067818486 /nfs/dbraw/zinc/81/84/86/1067818486.db2.gz KVSYQJGMKDYHOS-UHFFFAOYSA-N 0 3 452.336 4.971 20 0 JJADHN Cn1cc(CNC(CCc2ccccc2)CCc2ccccc2)c(I)n1 ZINC001461346395 1067835316 /nfs/dbraw/zinc/83/53/16/1067835316.db2.gz QHDUGXXSNRDMBR-UHFFFAOYSA-N 0 3 459.375 4.749 20 0 JJADHN COc1c(Br)cc(Br)cc1CNCC1([C@@H](O)c2ccccc2)CC1 ZINC001461373754 1067841191 /nfs/dbraw/zinc/84/11/91/1067841191.db2.gz KCKMQYRANFXLTD-SFHVURJKSA-N 0 3 455.190 4.824 20 0 JJADHN Fc1ccc(Sc2ccc(CNCc3ccc(OCCN4CCOCC4)cc3)cc2)cc1 ZINC001461388871 1067844993 /nfs/dbraw/zinc/84/49/93/1067844993.db2.gz JFNYGXMXYVWCQY-UHFFFAOYSA-N 0 3 452.595 4.978 20 0 JJADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421666 1067852588 /nfs/dbraw/zinc/85/25/88/1067852588.db2.gz YCAUSXFOSZIZQL-JCTONOIOSA-N 0 3 453.631 4.899 20 0 JJADHN O=S(=O)(NCCCNCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1Cl ZINC001461460058 1067862227 /nfs/dbraw/zinc/86/22/27/1067862227.db2.gz DIJIUZYBTQYRPH-UHFFFAOYSA-N 0 3 456.420 4.575 20 0 JJADHN OC[C@H](CNCc1c(Cl)cccc1OC(F)F)Cc1ccc(F)c(Br)c1 ZINC001461513780 1067879965 /nfs/dbraw/zinc/87/99/65/1067879965.db2.gz NVPTXCCINFUFEC-LBPRGKRZSA-N 0 3 452.698 4.784 20 0 JJADHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532221 1067882966 /nfs/dbraw/zinc/88/29/66/1067882966.db2.gz XSTWNBZWTOWIRY-KRWDZBQOSA-N 0 3 453.384 4.662 20 0 JJADHN COc1ccc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(Br)c1[O-] ZINC001461554373 1067886895 /nfs/dbraw/zinc/88/68/95/1067886895.db2.gz SWMIJRNLHJNSPZ-SHTZXODSSA-N 0 3 457.409 4.584 20 0 JJADHN CCOc1cc(CN[C@@H]2CCCC(F)(F)[C@H]2O)ccc1OCCOc1cccc(Cl)c1 ZINC001461571962 1067891263 /nfs/dbraw/zinc/89/12/63/1067891263.db2.gz YFFYTFNLJAYNJT-KNQAVFIVSA-N 0 3 455.929 4.835 20 0 JJADHN CN(C)C[C@H](NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674275 1067915496 /nfs/dbraw/zinc/91/54/96/1067915496.db2.gz DNYJDBAPJMUOKA-HOTGVXAUSA-N 0 3 457.459 4.743 20 0 JJADHN CC[C@H](CNCc1cc(Br)cc(Br)c1OC)C(=O)OC(C)(C)C ZINC001461774790 1067934921 /nfs/dbraw/zinc/93/49/21/1067934921.db2.gz LQPYWQUWTXYZJK-LLVKDONJSA-N 0 3 451.199 4.678 20 0 JJADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@@H]1CCCc1ccccc1 ZINC001461844528 1067945428 /nfs/dbraw/zinc/94/54/28/1067945428.db2.gz JYPFRFYOMVVGLP-AVRDEDQJSA-N 0 3 459.428 4.950 20 0 JJADHN O=C(Nc1ccccc1Br)C1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001461856095 1067948552 /nfs/dbraw/zinc/94/85/52/1067948552.db2.gz XTIAGLNNUQBCEJ-UHFFFAOYSA-N 0 3 453.327 4.944 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898395 1067957016 /nfs/dbraw/zinc/95/70/16/1067957016.db2.gz MFSWBCLMYZTPFJ-XMMPIXPASA-N 0 3 450.023 4.525 20 0 JJADHN CCN(Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001461969312 1067971410 /nfs/dbraw/zinc/97/14/10/1067971410.db2.gz PGULXDIVQHZXPC-UHFFFAOYSA-N 0 3 452.620 4.860 20 0 JJADHN C[C@@H]1CCC[C@H](N(Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033310 1067984959 /nfs/dbraw/zinc/98/49/59/1067984959.db2.gz MEVCQDZGHRXABV-HMFYCAOWSA-N 0 3 455.599 4.931 20 0 JJADHN CC(=O)N(c1nc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045776 1067989054 /nfs/dbraw/zinc/98/90/54/1067989054.db2.gz FICHXWBQXNDRFA-KSFYIVLOSA-N 0 3 456.562 4.716 20 0 JJADHN Cc1cc(Br)cn2cc(CNC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc12 ZINC001462066195 1067995033 /nfs/dbraw/zinc/99/50/33/1067995033.db2.gz SHBCJOJXMFWCJG-HZPDHXFCSA-N 0 3 451.409 4.530 20 0 JJADHN C[C@@H](COc1ccc2cc(Br)ccc2c1)NCc1ccc(S(C)(=O)=O)s1 ZINC001462090708 1068000073 /nfs/dbraw/zinc/00/00/73/1068000073.db2.gz LXCXLCFFXWLFHA-ZDUSSCGKSA-N 0 3 454.411 4.624 20 0 JJADHN Cn1cc([C@H](N[C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119315 1068008539 /nfs/dbraw/zinc/00/85/39/1068008539.db2.gz SBWDYPRTSPTSNP-RJGXRXQPSA-N 0 3 457.391 4.836 20 0 JJADHN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198287 1068027646 /nfs/dbraw/zinc/02/76/46/1068027646.db2.gz LAPCSZFQYKECPE-LJQANCHMSA-N 0 3 454.949 4.683 20 0 JJADHN Cc1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001462228678 1068033313 /nfs/dbraw/zinc/03/33/13/1068033313.db2.gz GLYRCTJDHBWUSQ-JOCHJYFZSA-N 0 3 456.512 4.984 20 0 JJADHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400337 1068066329 /nfs/dbraw/zinc/06/63/29/1068066329.db2.gz XTLPIYRMDYNXDU-GCJKJVERSA-N 0 3 459.631 4.857 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410555 1068068018 /nfs/dbraw/zinc/06/80/18/1068068018.db2.gz ZVTFQUVYSPDMRK-QKLQHJQFSA-N 0 3 458.521 4.711 20 0 JJADHN CC(C)[C@@H]1CN(Cc2cccc(F)c2I)CCN1Cc1ccccc1 ZINC001462442004 1068075269 /nfs/dbraw/zinc/07/52/69/1068075269.db2.gz ULKFUXAONZKKKD-FQEVSTJZSA-N 0 3 452.355 4.773 20 0 JJADHN COc1ccc([C@@H]2CCN(Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483378 1068082995 /nfs/dbraw/zinc/08/29/95/1068082995.db2.gz WPZUDNYGXBMTRZ-HXUWFJFHSA-N 0 3 458.574 4.975 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@]3(C)Cc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001462494542 1068084839 /nfs/dbraw/zinc/08/48/39/1068084839.db2.gz JFSHJVMACYCWTR-AREMUKBSSA-N 0 3 459.556 4.872 20 0 JJADHN OCCC1(CCO)CCN(Cc2ccccc2Oc2ccc(Br)cc2F)CC1 ZINC001462507458 1068087551 /nfs/dbraw/zinc/08/75/51/1068087551.db2.gz TYWJSCUVIKAMNO-UHFFFAOYSA-N 0 3 452.364 4.728 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538691 1068094189 /nfs/dbraw/zinc/09/41/89/1068094189.db2.gz ZBLIVUITMOUREA-KBMIEXCESA-N 0 3 457.640 4.961 20 0 JJADHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)COc1ccccc1OCC(F)(F)F ZINC001462540588 1068094729 /nfs/dbraw/zinc/09/47/29/1068094729.db2.gz VFEOSVXPWKYHGU-FQEVSTJZSA-N 0 3 450.501 4.520 20 0 JJADHN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC001462630222 1068117617 /nfs/dbraw/zinc/11/76/17/1068117617.db2.gz RETPZUIKPXVSII-ZDUSSCGKSA-N 0 3 455.422 4.637 20 0 JJADHN CC(C)C[C@@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@@H](C)c1ccccc1 ZINC001463073764 1068277994 /nfs/dbraw/zinc/27/79/94/1068277994.db2.gz KICUAPYEHMMCRL-RDJZCZTQSA-N 0 3 452.045 4.994 20 0 JJADHN CC[NH+](CC)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)CC(C)C ZINC001463310797 1068352166 /nfs/dbraw/zinc/35/21/66/1068352166.db2.gz VHYAILANWKLNLS-AWEZNQCLSA-N 0 3 459.372 4.503 20 0 JJADHN CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@@]3(C)CCN(Cc4ccccc4)C3)cc2s1 ZINC001463639467 1068478260 /nfs/dbraw/zinc/47/82/60/1068478260.db2.gz SCSTVTYHLZBKRK-XMMPIXPASA-N 0 3 457.665 4.784 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)c(C)c2)CC1 ZINC001463710219 1068501404 /nfs/dbraw/zinc/50/14/04/1068501404.db2.gz WBMQKACZPCKPJC-UHFFFAOYSA-N 0 3 458.628 4.822 20 0 JJADHN CCOC1(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CCCC1 ZINC001463762093 1068516456 /nfs/dbraw/zinc/51/64/56/1068516456.db2.gz GJFPTXGXZXOBJD-BJKOFHAPSA-N 0 3 477.070 4.577 20 0 JJADHN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 ZINC001463769089 1068518650 /nfs/dbraw/zinc/51/86/50/1068518650.db2.gz HZYMRTRWTZNMGV-CQSZACIVSA-N 0 3 450.427 4.537 20 0 JJADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463832188 1068540489 /nfs/dbraw/zinc/54/04/89/1068540489.db2.gz DTSVXMZLPKCBLN-JWQCQUIFSA-N 0 3 450.689 4.534 20 0 JJADHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001464050195 1068600560 /nfs/dbraw/zinc/60/05/60/1068600560.db2.gz KSUTUMAYEXNGIS-UHFFFAOYSA-N 0 3 451.366 4.804 20 0 JJADHN C[C@@H](CN1CCCCC1)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464071777 1068604945 /nfs/dbraw/zinc/60/49/45/1068604945.db2.gz HAWDERYEWDVUJO-KRWDZBQOSA-N 0 3 457.500 4.557 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)c3c(C)ccc(Br)c3C)CC2)c1 ZINC001464097774 1068614092 /nfs/dbraw/zinc/61/40/92/1068614092.db2.gz CRMCXHBFYCNWAN-UHFFFAOYSA-N 0 3 458.444 4.707 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001464118427 1068621276 /nfs/dbraw/zinc/62/12/76/1068621276.db2.gz CKVPPLGXUMYRBD-JKHIJQBDSA-N 0 3 451.577 4.940 20 0 JJADHN CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001464134694 1068629469 /nfs/dbraw/zinc/62/94/69/1068629469.db2.gz YQDWEPKEANFSNY-HXUWFJFHSA-N 0 3 458.444 4.794 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CC1 ZINC001464162499 1068639020 /nfs/dbraw/zinc/63/90/20/1068639020.db2.gz XAYZSXJGZORZDC-UHFFFAOYSA-N 0 3 453.030 4.529 20 0 JJADHN Cc1nc(NC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)sc1Cc1ccccc1Cl ZINC001464321423 1068704610 /nfs/dbraw/zinc/70/46/10/1068704610.db2.gz XHVLOHAWACZZJC-DEOSSOPVSA-N 0 3 456.011 4.661 20 0 JJADHN CN(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001464334029 1068710322 /nfs/dbraw/zinc/71/03/22/1068710322.db2.gz RIOXMSBCCHFVAC-UHFFFAOYSA-N 0 3 455.574 4.738 20 0 JJADHN CC(C)(C)CCN1CCN(C(=O)CCCCc2ccc(I)cc2)CC1 ZINC001464375694 1068723723 /nfs/dbraw/zinc/72/37/23/1068723723.db2.gz GISROTQDPHWZDQ-UHFFFAOYSA-N 0 3 456.412 4.584 20 0 JJADHN CC(C)(C)CCN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001464376784 1068724128 /nfs/dbraw/zinc/72/41/28/1068724128.db2.gz OWXJKKIKEMEJRC-YADHBBJMSA-N 0 3 478.077 4.871 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)Cc1ccc2c(c1)OC(F)(F)O2)c1ccc(C(F)(F)F)cc1 ZINC001464503230 1068767326 /nfs/dbraw/zinc/76/73/26/1068767326.db2.gz ZHRBMVJWTKCOIY-KRWDZBQOSA-N 0 3 458.427 4.769 20 0 JJADHN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCN(CC3CCCCC3)CC2)c1Cl ZINC001464550371 1068778904 /nfs/dbraw/zinc/77/89/04/1068778904.db2.gz UUVRUUTXNJJFBG-UHFFFAOYSA-N 0 3 450.023 4.954 20 0 JJADHN CCN(CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl ZINC001464640467 1068808132 /nfs/dbraw/zinc/80/81/32/1068808132.db2.gz YKRTZFGKIHVVFL-UHFFFAOYSA-N 0 3 455.952 4.771 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC001464643850 1068809385 /nfs/dbraw/zinc/80/93/85/1068809385.db2.gz TVZQIVMWLNXSHN-UHFFFAOYSA-N 0 3 452.755 4.927 20 0 JJADHN CCCN(C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464675497 1068821009 /nfs/dbraw/zinc/82/10/09/1068821009.db2.gz NVJGDHLZSGNTCA-ZEQRLZLVSA-N 0 3 454.014 4.596 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)c21 ZINC001164405590 718847971 /nfs/dbraw/zinc/84/79/71/718847971.db2.gz LVJOSLVHARZBQK-VXKWHMMOSA-N 0 3 499.998 4.813 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)CC2)CC1 ZINC001164618581 719035749 /nfs/dbraw/zinc/03/57/49/719035749.db2.gz UTHNTLXIFGSHKI-UHFFFAOYSA-N 0 3 496.961 4.725 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627365 719094991 /nfs/dbraw/zinc/09/49/91/719094991.db2.gz JYMFQSFXLLOTDE-PMACEKPBSA-N 0 3 455.940 4.838 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725617 720359418 /nfs/dbraw/zinc/35/94/18/720359418.db2.gz OKGRWNQHSOGERA-LOSJGSFVSA-N 0 3 455.537 4.693 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725614 720359864 /nfs/dbraw/zinc/35/98/64/720359864.db2.gz OKGRWNQHSOGERA-JWQCQUIFSA-N 0 3 455.537 4.693 20 0 JJADHN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164730960 720441578 /nfs/dbraw/zinc/44/15/78/720441578.db2.gz KLGSXVRMXCUUMW-FGZHOGPDSA-N 0 3 499.640 4.625 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843436 720739406 /nfs/dbraw/zinc/73/94/06/720739406.db2.gz JSOCFDPRCMHWKA-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN Clc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741720 720784579 /nfs/dbraw/zinc/78/45/79/720784579.db2.gz MWPVRWITQKHGKF-MSOLQXFVSA-N 0 3 493.398 4.736 20 0 JJADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867810 721068033 /nfs/dbraw/zinc/06/80/33/721068033.db2.gz KMSQFDLJAJNMLR-FTJBHMTQSA-N 0 3 463.585 4.685 20 0 JJADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867235 721119736 /nfs/dbraw/zinc/11/97/36/721119736.db2.gz XEMDSIKANXKKJX-WOJBJXKFSA-N 0 3 478.021 4.886 20 0 JJADHN c1ccc(Oc2ccc(-c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881086 721171269 /nfs/dbraw/zinc/17/12/69/721171269.db2.gz ZAAVGBHCQKQJOO-IGKIAQTJSA-N 0 3 479.584 4.811 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@H]3C2)cn1 ZINC001164764225 721215673 /nfs/dbraw/zinc/21/56/73/721215673.db2.gz GPBDANDZMMXRAY-FCHUYYIVSA-N 0 3 456.619 4.564 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765105 721218963 /nfs/dbraw/zinc/21/89/63/721218963.db2.gz HUHYXMAIBFBGPX-ICSRJNTNSA-N 0 3 490.702 4.990 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766848 721227422 /nfs/dbraw/zinc/22/74/22/721227422.db2.gz VPEPKSNDDSIHHL-CLJLJLNGSA-N 0 3 456.638 4.883 20 0 JJADHN FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906895 721723588 /nfs/dbraw/zinc/72/35/88/721723588.db2.gz OXBPFEAFURELRL-AREMUKBSSA-N 0 3 472.543 4.825 20 0 JJADHN FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912909 721725100 /nfs/dbraw/zinc/72/51/00/721725100.db2.gz QZOHBHKIRITOGM-XMMPIXPASA-N 0 3 478.572 4.886 20 0 JJADHN FC1(F)CCN(c2ncnc3c(-c4ccccc4)nsc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912906 721726099 /nfs/dbraw/zinc/72/60/99/721726099.db2.gz QZOHBHKIRITOGM-DEOSSOPVSA-N 0 3 478.572 4.886 20 0 JJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963792 722055302 /nfs/dbraw/zinc/05/53/02/722055302.db2.gz KZZMXKSOJJCORO-UHFFFAOYSA-N 0 3 472.967 4.947 20 0 JJADHN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984712 722106701 /nfs/dbraw/zinc/10/67/01/722106701.db2.gz UDGMJYSBFYJBHA-OXQOHEQNSA-N 0 3 494.373 4.604 20 0 JJADHN Clc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1Cl ZINC001164979208 722108194 /nfs/dbraw/zinc/10/81/94/722108194.db2.gz PNNUDXAVSNBRKQ-ZIAGYGMSSA-N 0 3 462.208 4.818 20 0 JJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977435 722111547 /nfs/dbraw/zinc/11/15/47/722111547.db2.gz NBOCDJWJWYICLB-SIKLNZKXSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979131 722111629 /nfs/dbraw/zinc/11/16/29/722111629.db2.gz PDNFUZFKYFRJMQ-UPVQGACJSA-N 0 3 471.630 4.789 20 0 JJADHN c1ccc(-c2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975712 722114602 /nfs/dbraw/zinc/11/46/02/722114602.db2.gz KLRYTBCMXMJADN-KAYWLYCHSA-N 0 3 477.612 4.933 20 0 JJADHN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981481 722122261 /nfs/dbraw/zinc/12/22/61/722122261.db2.gz UFNUOLKORDNEOJ-OXJNMPFZSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976330 722123623 /nfs/dbraw/zinc/12/36/23/722123623.db2.gz LEVIVFSOEHRJBM-QFBILLFUSA-N 0 3 494.373 4.604 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972608 722138633 /nfs/dbraw/zinc/13/86/33/722138633.db2.gz AEOWXQCTLXMBBC-SQHAQQRYSA-N 0 3 465.601 4.728 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982798 722141968 /nfs/dbraw/zinc/14/19/68/722141968.db2.gz SRWHFFAWBRVICC-NVQXNPDNSA-N 0 3 469.564 4.558 20 0 JJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980921 722148735 /nfs/dbraw/zinc/14/87/35/722148735.db2.gz NTQXWRVMVLDZLT-ZJSXRUAMSA-N 0 3 464.013 4.536 20 0 JJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1Cl ZINC001164972156 722152976 /nfs/dbraw/zinc/15/29/76/722152976.db2.gz GAPOIMGERAVSBL-WIYYLYMNSA-N 0 3 488.394 4.712 20 0 JJADHN CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973005 722155241 /nfs/dbraw/zinc/15/52/41/722155241.db2.gz JRXNCSQAYWFLEC-XUZZJYLKSA-N 0 3 480.012 4.607 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972469 722158149 /nfs/dbraw/zinc/15/81/49/722158149.db2.gz HXNYTNOBIHAFRX-ZJSXRUAMSA-N 0 3 499.993 4.773 20 0 JJADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850851 1064261783 /nfs/dbraw/zinc/26/17/83/1064261783.db2.gz SAXUWBMZFTZMMJ-BWKNWUBXSA-N 0 3 450.966 4.745 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001359719894 1064267424 /nfs/dbraw/zinc/26/74/24/1064267424.db2.gz BBNUDQYZUAOBLB-OAQYLSRUSA-N 0 3 456.654 4.625 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880140 1064295490 /nfs/dbraw/zinc/29/54/90/1064295490.db2.gz RGYPCRYWPDMKMK-AZUAARDMSA-N 0 3 452.624 4.576 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001545884962 1064301828 /nfs/dbraw/zinc/30/18/28/1064301828.db2.gz JJIOCCRQPLJKQE-DEOSSOPVSA-N 0 3 480.701 4.968 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001434880360 1064312870 /nfs/dbraw/zinc/31/28/70/1064312870.db2.gz CBBSMMPXFUXMRL-KNQAVFIVSA-N 0 3 451.014 4.945 20 0 JJADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880334 1064312953 /nfs/dbraw/zinc/31/29/53/1064312953.db2.gz BBGZRJBPBFTGBJ-IBIODZIOSA-N 0 3 455.643 4.658 20 0 JJADHN CN(C)CCN(C(=O)c1ccc2c(c1)[C@H](CNC(=O)OC(C)(C)C)CCC2)c1ccccc1 ZINC001434925467 1064353542 /nfs/dbraw/zinc/35/35/42/1064353542.db2.gz VLSNCUNIVLNQFO-QFIPXVFZSA-N 0 3 451.611 4.840 20 0 JJADHN CCCN(C(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001434974645 1064389776 /nfs/dbraw/zinc/38/97/76/1064389776.db2.gz GOWMNBMMKPJZBR-NRFANRHFSA-N 0 3 457.018 4.950 20 0 JJADHN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001359793720 1064451953 /nfs/dbraw/zinc/45/19/53/1064451953.db2.gz QZFBTNYXXTWXGW-YSIASYRMSA-N 0 3 459.685 4.869 20 0 JJADHN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001359796969 1064457990 /nfs/dbraw/zinc/45/79/90/1064457990.db2.gz QNXQPBAMQIBIHG-OAQYLSRUSA-N 0 3 457.688 4.758 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC001435062202 1064480899 /nfs/dbraw/zinc/48/08/99/1064480899.db2.gz BLHXUWPZUNCMMQ-UHFFFAOYSA-N 0 3 455.574 4.717 20 0 JJADHN Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)nnn1-c1ccccc1 ZINC001435064267 1064483354 /nfs/dbraw/zinc/48/33/54/1064483354.db2.gz JYCQNTULOZNDLI-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001359815762 1064497116 /nfs/dbraw/zinc/49/71/16/1064497116.db2.gz UQEKDAPRUTZSKJ-HXUWFJFHSA-N 0 3 489.636 4.607 20 0 JJADHN O=C(N1CCc2ccc(Br)cc21)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001435104923 1064516233 /nfs/dbraw/zinc/51/62/33/1064516233.db2.gz FEFIOLHUDGEIFA-HXUWFJFHSA-N 0 3 453.302 4.793 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001359844646 1064530564 /nfs/dbraw/zinc/53/05/64/1064530564.db2.gz FQZVRRCOCHUIQH-UHFFFAOYSA-N 0 3 452.549 4.759 20 0 JJADHN O=C(CSCc1ccc(Br)cc1)NCC1(N2CCSCC2)CCCCC1 ZINC001435138623 1064540413 /nfs/dbraw/zinc/54/04/13/1064540413.db2.gz PTBQFFJQDBXAGS-UHFFFAOYSA-N 0 3 457.503 4.550 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001359853071 1064540807 /nfs/dbraw/zinc/54/08/07/1064540807.db2.gz DNNMHXQBTKEONY-HXUWFJFHSA-N 0 3 454.439 4.705 20 0 JJADHN CSc1cccc(N(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C2CCN(C)CC2)c1 ZINC001435150882 1064551227 /nfs/dbraw/zinc/55/12/27/1064551227.db2.gz WJDNOXYXOPMASN-UHFFFAOYSA-N 0 3 453.652 4.925 20 0 JJADHN C[C@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)N(C)Cc1ccccc1 ZINC001435166805 1064562005 /nfs/dbraw/zinc/56/20/05/1064562005.db2.gz SBKZNVCGPAQASG-QGZVFWFLSA-N 0 3 454.368 4.887 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC001435188464 1064577713 /nfs/dbraw/zinc/57/77/13/1064577713.db2.gz KEYUTSIMIPTFIO-QGZVFWFLSA-N 0 3 451.514 4.717 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC001435188766 1064577997 /nfs/dbraw/zinc/57/79/97/1064577997.db2.gz NUMPJVLWQXLZOM-AOYPEHQESA-N 0 3 457.574 4.612 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@H]1CCCN(C)C1 ZINC001435190229 1064579729 /nfs/dbraw/zinc/57/97/29/1064579729.db2.gz WAPNSZACGZNQQN-QFIPXVFZSA-N 0 3 451.636 4.754 20 0 JJADHN COc1cc(Cl)c(Br)cc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001435204945 1064590904 /nfs/dbraw/zinc/59/09/04/1064590904.db2.gz BZBGGIMYWUTTTO-HNNXBMFYSA-N 0 3 451.792 4.848 20 0 JJADHN CC(C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC2CC2)CC1 ZINC001359901770 1064611489 /nfs/dbraw/zinc/61/14/89/1064611489.db2.gz CPBAORAXNVIGKT-UHFFFAOYSA-N 0 3 452.466 4.737 20 0 JJADHN CC(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001359902495 1064614805 /nfs/dbraw/zinc/61/48/05/1064614805.db2.gz OTXYQMPLGNRKJK-UHFFFAOYSA-N 0 3 464.029 4.722 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CC=CCC2)cc1 ZINC001359955414 1064724554 /nfs/dbraw/zinc/72/45/54/1064724554.db2.gz WLPIQNWKHVULED-QFIPXVFZSA-N 0 3 467.658 4.636 20 0 JJADHN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC001360015650 1064813869 /nfs/dbraw/zinc/81/38/69/1064813869.db2.gz YZOAPMNEUCYLPP-UHFFFAOYSA-N 0 3 466.605 4.728 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001360015042 1064813960 /nfs/dbraw/zinc/81/39/60/1064813960.db2.gz MSPARZVHBFBOBT-PXNSSMCTSA-N 0 3 464.427 4.624 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001360017736 1064818372 /nfs/dbraw/zinc/81/83/72/1064818372.db2.gz IUFFRBZMCDHFPP-IRLDBZIGSA-N 0 3 490.490 4.547 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3)n2Cc2sccc2Br)CC1 ZINC001360021243 1064824690 /nfs/dbraw/zinc/82/46/90/1064824690.db2.gz BUOJPRBNGZIXNS-UHFFFAOYSA-N 0 3 460.445 4.595 20 0 JJADHN Cc1csc2nc(CC(=O)N(CCN3CCCC3)Cc3ccc(Cl)c(Cl)c3)cn12 ZINC001360028292 1064830019 /nfs/dbraw/zinc/83/00/19/1064830019.db2.gz AQCSVVHLFVTRMN-UHFFFAOYSA-N 0 3 451.423 4.678 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360029796 1064830975 /nfs/dbraw/zinc/83/09/75/1064830975.db2.gz AJXLISPTRAYWAD-UHFFFAOYSA-N 0 3 484.689 4.783 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001360032774 1064835387 /nfs/dbraw/zinc/83/53/87/1064835387.db2.gz YJBGMKXERYSZLT-OAQYLSRUSA-N 0 3 461.601 4.503 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360033589 1064836074 /nfs/dbraw/zinc/83/60/74/1064836074.db2.gz DWQIWYQPXDEFDI-DEOSSOPVSA-N 0 3 483.701 4.748 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001360034636 1064839192 /nfs/dbraw/zinc/83/91/92/1064839192.db2.gz WOGASZKZCMUCEQ-UHFFFAOYSA-N 0 3 487.048 4.622 20 0 JJADHN CC(C)COc1ccc(Cn2c(CC3CC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001360050253 1064874441 /nfs/dbraw/zinc/87/44/41/1064874441.db2.gz NBCLUABPWMXCNH-UHFFFAOYSA-N 0 3 453.675 4.872 20 0 JJADHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099818 1064978852 /nfs/dbraw/zinc/97/88/52/1064978852.db2.gz QGLIKYLTRCLLQM-NRFANRHFSA-N 0 3 453.345 4.792 20 0 JJADHN CCc1cc(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)c2c(CC(C)(C)C)noc2n1 ZINC001435888246 1065045387 /nfs/dbraw/zinc/04/53/87/1065045387.db2.gz FLZSULOSFYPHJR-UHFFFAOYSA-N 0 3 452.599 4.586 20 0 JJADHN CSc1cccc(N(C(=O)CSCC(=O)Nc2ccc(C)cc2)C2CCN(C)CC2)c1 ZINC001360191912 1065075768 /nfs/dbraw/zinc/07/57/68/1065075768.db2.gz LIXYKXGBJQAVAM-UHFFFAOYSA-N 0 3 457.665 4.516 20 0 JJADHN CC(C)c1nc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993649 1065098289 /nfs/dbraw/zinc/09/82/89/1065098289.db2.gz CTONNTDNLWDZDM-NRFANRHFSA-N 0 3 454.018 4.931 20 0 JJADHN CC(C)c1nc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)nn1-c1ccccc1Cl ZINC001435993657 1065098379 /nfs/dbraw/zinc/09/83/79/1065098379.db2.gz CTONNTDNLWDZDM-OAQYLSRUSA-N 0 3 454.018 4.931 20 0 JJADHN C[C@@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)N(C)Cc1ccccc1 ZINC001360281901 1065122978 /nfs/dbraw/zinc/12/29/78/1065122978.db2.gz MTOQVVSBRLUCEK-FQEVSTJZSA-N 0 3 455.558 4.864 20 0 JJADHN Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c(CN(C)C)c1 ZINC001360368415 1065227769 /nfs/dbraw/zinc/22/77/69/1065227769.db2.gz BTVXGSXJEREQBH-UHFFFAOYSA-N 0 3 452.576 4.693 20 0 JJADHN CC(C)OCCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360376745 1065236148 /nfs/dbraw/zinc/23/61/48/1065236148.db2.gz NDLMGCPQFABKBH-FQEVSTJZSA-N 0 3 461.626 4.683 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197540 1065244770 /nfs/dbraw/zinc/24/47/70/1065244770.db2.gz JPAPDTDVNQZQLZ-YADHBBJMSA-N 0 3 450.410 4.760 20 0 JJADHN CCCN(C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201170 1065247882 /nfs/dbraw/zinc/24/78/82/1065247882.db2.gz JECSVWKXGPXZQC-NJYVYQBISA-N 0 3 480.834 4.774 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@H]1CCCN(C)C1 ZINC001360387115 1065251277 /nfs/dbraw/zinc/25/12/77/1065251277.db2.gz ABRMPPXVYTXXBR-KRWDZBQOSA-N 0 3 453.892 4.777 20 0 JJADHN C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387222 1065252203 /nfs/dbraw/zinc/25/22/03/1065252203.db2.gz DATARZNEMVHLCK-QYRZDNMNSA-N 0 3 459.512 4.914 20 0 JJADHN CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360390073 1065254147 /nfs/dbraw/zinc/25/41/47/1065254147.db2.gz DJACRYBMZBFGMH-UHFFFAOYSA-N 0 3 462.082 4.896 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@H](OCC3CC3)c3ccc(Cl)cc3)cc2)CC1 ZINC001436211490 1065254420 /nfs/dbraw/zinc/25/44/20/1065254420.db2.gz AVCWSBREQNEBIC-VWLOTQADSA-N 0 3 456.030 4.768 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC001436217729 1065259110 /nfs/dbraw/zinc/25/91/10/1065259110.db2.gz DKDCTWHACIARNX-UHFFFAOYSA-N 0 3 455.027 4.924 20 0 JJADHN Cc1cc(Cl)cc(Br)c1OC(=O)[C@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233829 1065270493 /nfs/dbraw/zinc/27/04/93/1065270493.db2.gz GDOXLPKIYJZSKT-IRXDYDNUSA-N 0 3 454.796 4.564 20 0 JJADHN CC(C)SCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001360425204 1065294175 /nfs/dbraw/zinc/29/41/75/1065294175.db2.gz YYCVANIKQHSWNG-IBGZPJMESA-N 0 3 496.146 4.524 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001436314889 1065295104 /nfs/dbraw/zinc/29/51/04/1065295104.db2.gz HJBXPXYYRHHMSZ-LEWJYISDSA-N 0 3 460.405 4.836 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001436318897 1065296325 /nfs/dbraw/zinc/29/63/25/1065296325.db2.gz WZROAMIWXZAKAA-UHFFFAOYSA-N 0 3 453.892 4.712 20 0 JJADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)N(C)C ZINC001360440843 1065325094 /nfs/dbraw/zinc/32/50/94/1065325094.db2.gz YLNJGEXMGYBOPB-AZVZEQOLSA-N 0 3 496.706 4.583 20 0 JJADHN CCN(CC)c1ccc2nc(NC(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)sc2c1 ZINC001436592220 1065388295 /nfs/dbraw/zinc/38/82/95/1065388295.db2.gz SEMKAOLOCAYUHF-UHFFFAOYSA-N 0 3 451.640 4.925 20 0 JJADHN O=C(C(=O)N(CCCN1CCCC1)c1ccc(Cl)cc1)c1ccc(Br)s1 ZINC001436647787 1065416578 /nfs/dbraw/zinc/41/65/78/1065416578.db2.gz SLHAVXVEXYMLSA-UHFFFAOYSA-N 0 3 455.805 4.866 20 0 JJADHN CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001437026787 1065498653 /nfs/dbraw/zinc/49/86/53/1065498653.db2.gz GSJFBOALNBAAOW-OAQYLSRUSA-N 0 3 453.583 4.986 20 0 JJADHN C[C@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360526268 1065504390 /nfs/dbraw/zinc/50/43/90/1065504390.db2.gz INAJDJHIFIPVRQ-OFNKIYASSA-N 0 3 460.651 4.868 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001437278211 1065529108 /nfs/dbraw/zinc/52/91/08/1065529108.db2.gz OXTCZSYWZQOFIJ-QVKFZJNVSA-N 0 3 451.792 4.651 20 0 JJADHN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)N(C)C1CC1 ZINC001360570994 1065564970 /nfs/dbraw/zinc/56/49/70/1065564970.db2.gz XVZNLBFDFIJBIU-UYAOXDASSA-N 0 3 455.622 4.588 20 0 JJADHN C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360592502 1065600941 /nfs/dbraw/zinc/60/09/41/1065600941.db2.gz WUEKYTOPWFWTRS-DENIHFKCSA-N 0 3 476.065 4.809 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001360601180 1065624030 /nfs/dbraw/zinc/62/40/30/1065624030.db2.gz QFLOVGAHWCTBML-UHFFFAOYSA-N 0 3 455.908 4.822 20 0 JJADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001360682260 1065735320 /nfs/dbraw/zinc/73/53/20/1065735320.db2.gz QZMPXRWPQDJNRS-IBGZPJMESA-N 0 3 455.484 4.633 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360727018 1065753969 /nfs/dbraw/zinc/75/39/69/1065753969.db2.gz LIMRRVJDKYDPCM-VWLOTQADSA-N 0 3 460.066 4.850 20 0 JJADHN CO[C@@H](C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987719 1065774330 /nfs/dbraw/zinc/77/43/30/1065774330.db2.gz UVEOJGCDRQMIMI-FXAWDEMLSA-N 0 3 451.430 4.711 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001439223995 1065800660 /nfs/dbraw/zinc/80/06/60/1065800660.db2.gz JUHPENTVKNYRHS-LLVKDONJSA-N 0 3 450.427 4.885 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN1CCCCC1 ZINC001360754449 1065805087 /nfs/dbraw/zinc/80/50/87/1065805087.db2.gz UXCIJORXSGTHIL-KRWDZBQOSA-N 0 3 492.455 4.581 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCCc1ccccc1F ZINC001545921624 1065806675 /nfs/dbraw/zinc/80/66/75/1065806675.db2.gz ZSIMXERKBNPWHT-UHFFFAOYSA-N 0 3 498.691 4.669 20 0 JJADHN COC(=O)c1cc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1SC ZINC001439397630 1065824433 /nfs/dbraw/zinc/82/44/33/1065824433.db2.gz FZUBOBWVFYHARK-NRFANRHFSA-N 0 3 452.498 4.588 20 0 JJADHN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001360772260 1065869657 /nfs/dbraw/zinc/86/96/57/1065869657.db2.gz AOFHZLCXDUHUFR-HXUWFJFHSA-N 0 3 473.637 4.540 20 0 JJADHN CCN(CC)CC[C@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC001440137560 1065915019 /nfs/dbraw/zinc/91/50/19/1065915019.db2.gz BDVPSPQLKASFFN-IBGZPJMESA-N 0 3 457.423 4.600 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001360818995 1065932086 /nfs/dbraw/zinc/93/20/86/1065932086.db2.gz MUGHLTWKDBDYDL-HXUWFJFHSA-N 0 3 478.106 4.959 20 0 JJADHN CC1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCC2)CC(C)(C)O1 ZINC001360829625 1065941853 /nfs/dbraw/zinc/94/18/53/1065941853.db2.gz JJOSAWBJZIIASW-UHFFFAOYSA-N 0 3 464.079 4.713 20 0 JJADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(I)c(Cl)c1 ZINC001440534497 1065948364 /nfs/dbraw/zinc/94/83/64/1065948364.db2.gz DTYVJYIIHYIHTI-GOSISDBHSA-N 0 3 454.739 4.512 20 0 JJADHN CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)[NH+](CC)CC ZINC001440562235 1065949371 /nfs/dbraw/zinc/94/93/71/1065949371.db2.gz CVRTVZYWBDXDDJ-GOSISDBHSA-N 0 3 458.411 4.853 20 0 JJADHN CC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)N(CC)CC ZINC001440562235 1065949383 /nfs/dbraw/zinc/94/93/83/1065949383.db2.gz CVRTVZYWBDXDDJ-GOSISDBHSA-N 0 3 458.411 4.853 20 0 JJADHN Cc1sc(C)c(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1Br ZINC001360848776 1065957893 /nfs/dbraw/zinc/95/78/93/1065957893.db2.gz DUGPGFZNIPCTJF-KRWDZBQOSA-N 0 3 496.519 4.582 20 0 JJADHN CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001440672463 1065961765 /nfs/dbraw/zinc/96/17/65/1065961765.db2.gz NATONCOOLZACCM-ZEQRLZLVSA-N 0 3 451.611 4.643 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001440675829 1065962919 /nfs/dbraw/zinc/96/29/19/1065962919.db2.gz LYWCIIWDCDZXDT-XMMPIXPASA-N 0 3 450.652 4.804 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001360851283 1065964266 /nfs/dbraw/zinc/96/42/66/1065964266.db2.gz GBHSFBQNDDIXQR-IBGZPJMESA-N 0 3 473.444 4.584 20 0 JJADHN COc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(Cl)cc1I ZINC001440748684 1065975513 /nfs/dbraw/zinc/97/55/13/1065975513.db2.gz UPPRLSYEUZWYEA-UHFFFAOYSA-N 0 3 458.727 4.576 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)c1cccc(OC)c1 ZINC001440876427 1065987643 /nfs/dbraw/zinc/98/76/43/1065987643.db2.gz KITATDMADJWSCB-BXXSPATCSA-N 0 3 457.412 4.543 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(OC)c1 ZINC001440881225 1065988628 /nfs/dbraw/zinc/98/86/28/1065988628.db2.gz QKZJEKCGNDNMHH-QHCPKHFHSA-N 0 3 455.599 4.784 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220161 1066016291 /nfs/dbraw/zinc/01/62/91/1066016291.db2.gz BMEVUYKMWUPFQS-BJKOFHAPSA-N 0 3 457.659 4.879 20 0 JJADHN CN1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@H](c2ccccc2)C1 ZINC001441240258 1066018558 /nfs/dbraw/zinc/01/85/58/1066018558.db2.gz IJTCVEVPVOOEQW-QHCPKHFHSA-N 0 3 453.533 4.550 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CC[C@@H](F)C2)c1C ZINC001360876871 1066021434 /nfs/dbraw/zinc/02/14/34/1066021434.db2.gz CFHCHHGAFWCOKZ-XPWALMASSA-N 0 3 457.638 4.951 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cc4cc(C)cc(Br)c4o3)cc2)CC1 ZINC001441311518 1066025046 /nfs/dbraw/zinc/02/50/46/1066025046.db2.gz MOVDMOQZMMPGTR-UHFFFAOYSA-N 0 3 456.384 4.894 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1F ZINC001441320031 1066027195 /nfs/dbraw/zinc/02/71/95/1066027195.db2.gz KJNAMTPAQMRYNC-UHFFFAOYSA-N 0 3 457.899 4.830 20 0 JJADHN CCN1CCN(Cc2ccccc2CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC001441319100 1066027270 /nfs/dbraw/zinc/02/72/70/1066027270.db2.gz WITCCXDSFLCQRQ-UHFFFAOYSA-N 0 3 456.364 4.539 20 0 JJADHN Cc1nc(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)sc1C ZINC001360897541 1066050574 /nfs/dbraw/zinc/05/05/74/1066050574.db2.gz GGBXHZUYGFZIRT-UHFFFAOYSA-N 0 3 459.063 4.693 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001441793028 1066069889 /nfs/dbraw/zinc/06/98/89/1066069889.db2.gz MYEUIYFENSKLNJ-UHFFFAOYSA-N 0 3 456.562 4.714 20 0 JJADHN CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001442082574 1066091771 /nfs/dbraw/zinc/09/17/71/1066091771.db2.gz ZPKINUGZZDVGAQ-REWPJTCUSA-N 0 3 459.594 4.840 20 0 JJADHN Cc1sc(CNC(=O)CCN2CCN(c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 ZINC001442220729 1066103803 /nfs/dbraw/zinc/10/38/03/1066103803.db2.gz KZNNBMKWQKFZAL-UHFFFAOYSA-N 0 3 455.027 4.600 20 0 JJADHN CC[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442311760 1066115892 /nfs/dbraw/zinc/11/58/92/1066115892.db2.gz WIKOHFCSIYWFQF-MOPGFXCFSA-N 0 3 459.553 4.850 20 0 JJADHN C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344634 1066118562 /nfs/dbraw/zinc/11/85/62/1066118562.db2.gz UDEPHZZYSWSSEW-VWNXMTODSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)N(C)C)cc1 ZINC001442478214 1066130763 /nfs/dbraw/zinc/13/07/63/1066130763.db2.gz VIAOEETWQMURPS-NRFANRHFSA-N 0 3 454.368 4.978 20 0 JJADHN CCOC(=O)N1[C@H](C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[C@H]1c1ccc(C)o1 ZINC001442592620 1066141625 /nfs/dbraw/zinc/14/16/25/1066141625.db2.gz MQVYKBOXGBBTEH-VABKMULXSA-N 0 3 453.583 4.512 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)N2CCCC2)cc1 ZINC001442593686 1066141802 /nfs/dbraw/zinc/14/18/02/1066141802.db2.gz NQWLUDJDEVZOOX-HSZRJFAPSA-N 0 3 456.030 4.878 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)N2CCCC2)cc1 ZINC001442603178 1066143281 /nfs/dbraw/zinc/14/32/81/1066143281.db2.gz PYLJYKLMGSJMGV-DHIUTWEWSA-N 0 3 455.643 4.675 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)N2CCCC2)cc1 ZINC001442603180 1066143357 /nfs/dbraw/zinc/14/33/57/1066143357.db2.gz PYLJYKLMGSJMGV-GOTSBHOMSA-N 0 3 455.643 4.675 20 0 JJADHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715627 1066154630 /nfs/dbraw/zinc/15/46/30/1066154630.db2.gz DLUBAPMFSBBYLJ-CVDCTZTESA-N 0 3 457.590 4.618 20 0 JJADHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442715625 1066154663 /nfs/dbraw/zinc/15/46/63/1066154663.db2.gz DLUBAPMFSBBYLJ-AUSIDOKSSA-N 0 3 457.590 4.618 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001442723995 1066155748 /nfs/dbraw/zinc/15/57/48/1066155748.db2.gz LXCOMKZFFIXHAT-UHFFFAOYSA-N 0 3 457.496 4.883 20 0 JJADHN O=C([C@@H](CO)c1ccc(Cl)cc1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442726794 1066156016 /nfs/dbraw/zinc/15/60/16/1066156016.db2.gz OSLDLTWOUHWZKE-IBGZPJMESA-N 0 3 455.813 4.847 20 0 JJADHN CCOc1cc2c(cc1OCC)CN(C(=O)[C@H](C)N1CCC(Cc3ccccc3)CC1)CC2 ZINC001442727708 1066156097 /nfs/dbraw/zinc/15/60/97/1066156097.db2.gz YDMVNLPZKLZOHW-NRFANRHFSA-N 0 3 450.623 4.712 20 0 JJADHN Cc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(N4CCN(C(C)C)CC4)cc3)cc2)cc1 ZINC001442766087 1066158599 /nfs/dbraw/zinc/15/85/99/1066158599.db2.gz UEFJLJVUWMVRPB-UHFFFAOYSA-N 0 3 457.574 4.997 20 0 JJADHN CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001442974349 1066248378 /nfs/dbraw/zinc/24/83/78/1066248378.db2.gz QWCHCALKJIMFSW-KRWDZBQOSA-N 0 3 451.355 4.988 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001361035391 1066253546 /nfs/dbraw/zinc/25/35/46/1066253546.db2.gz WMACRCAOKSJJMK-HXUWFJFHSA-N 0 3 461.601 4.830 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098395 1066267437 /nfs/dbraw/zinc/26/74/37/1066267437.db2.gz PFOXGEMOXBPMFW-PGRDOPGGSA-N 0 3 451.369 4.945 20 0 JJADHN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001443163781 1066275777 /nfs/dbraw/zinc/27/57/77/1066275777.db2.gz LPJLLZCFNKJNGF-VXNXHJTFSA-N 0 3 455.643 4.613 20 0 JJADHN Cc1sc2ncnc(SCCC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@@H]3C)c2c1C ZINC001454408324 1066279871 /nfs/dbraw/zinc/27/98/71/1066279871.db2.gz SSXLOACOJXZLET-OXJNMPFZSA-N 0 3 454.665 4.817 20 0 JJADHN CN(C)CCN(C(=O)CCCCc1ccc(I)cc1)C1CCCCC1 ZINC001443329188 1066295249 /nfs/dbraw/zinc/29/52/49/1066295249.db2.gz AKLJYRYLRPZWOP-UHFFFAOYSA-N 0 3 456.412 4.727 20 0 JJADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432877 1066310493 /nfs/dbraw/zinc/31/04/93/1066310493.db2.gz UOMIPQYTNGVHDY-QGZVFWFLSA-N 0 3 450.023 4.634 20 0 JJADHN Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N(Cc3ccco3)C3CCN(C)CC3)c2)n1 ZINC001443431642 1066310600 /nfs/dbraw/zinc/31/06/00/1066310600.db2.gz QJDVUFJCJSYLOV-UHFFFAOYSA-N 0 3 453.974 4.820 20 0 JJADHN CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001546064242 1066317894 /nfs/dbraw/zinc/31/78/94/1066317894.db2.gz LLRJJIZCQFUDPX-SIBVEZHUSA-N 0 3 499.681 4.962 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001361087790 1066327720 /nfs/dbraw/zinc/32/77/20/1066327720.db2.gz CHQPOJBKYJOARP-SFTDATJTSA-N 0 3 490.117 4.844 20 0 JJADHN CC1(C)CN([C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)c2ccc(Cl)cc2)CCO1 ZINC001443703956 1066353935 /nfs/dbraw/zinc/35/39/35/1066353935.db2.gz MWAFXIWBNIRTTO-JOCHJYFZSA-N 0 3 455.002 4.526 20 0 JJADHN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)Oc1cccc(F)c1 ZINC001545962369 1066367330 /nfs/dbraw/zinc/36/73/30/1066367330.db2.gz BIQNLEAADXVTHR-LVCYWYKZSA-N 0 3 455.578 4.762 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)N(C)C)cc1 ZINC001361139338 1066414408 /nfs/dbraw/zinc/41/44/08/1066414408.db2.gz IDDLAJMSOKHIIU-ISKFKSNPSA-N 0 3 496.700 4.993 20 0 JJADHN Cc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N(Cc2ccco2)C(C)C)N(C)C)cc1 ZINC001361140960 1066419331 /nfs/dbraw/zinc/41/93/31/1066419331.db2.gz JIXVDRQYOOELDI-VWLOTQADSA-N 0 3 458.610 4.883 20 0 JJADHN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001455651429 1066420417 /nfs/dbraw/zinc/42/04/17/1066420417.db2.gz VQDUESJQOKNZBK-ZDUSSCGKSA-N 0 3 457.493 4.605 20 0 JJADHN Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001361142460 1066424175 /nfs/dbraw/zinc/42/41/75/1066424175.db2.gz ZRBCJOKWSVBQAL-RBBKRZOGSA-N 0 3 472.559 4.654 20 0 JJADHN C[C@@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C ZINC001455953851 1066459335 /nfs/dbraw/zinc/45/93/35/1066459335.db2.gz WZBAIIZZPMICAY-FZKQIMNGSA-N 0 3 452.407 4.547 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1 ZINC001455966281 1066462579 /nfs/dbraw/zinc/46/25/79/1066462579.db2.gz XEVJXUBNDKCYTJ-UHFFFAOYSA-N 0 3 459.306 4.860 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CCCC(F)(F)F)c1 ZINC001361159670 1066464440 /nfs/dbraw/zinc/46/44/40/1066464440.db2.gz GVCQPEJYFWRPSJ-UHFFFAOYSA-N 0 3 465.564 4.881 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)c1 ZINC001361160002 1066465753 /nfs/dbraw/zinc/46/57/53/1066465753.db2.gz RAGILDFEPJGJIF-MUUNZHRXSA-N 0 3 483.701 4.726 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504404 1066468860 /nfs/dbraw/zinc/46/88/60/1066468860.db2.gz PSMAZGMWNVFOJQ-HSZRJFAPSA-N 0 3 455.643 4.727 20 0 JJADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC001456009848 1066471864 /nfs/dbraw/zinc/47/18/64/1066471864.db2.gz LACLPPZNXLSPAB-GOSISDBHSA-N 0 3 452.352 4.770 20 0 JJADHN O=C(CCCCc1nc2ccccc2s1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444537199 1066473467 /nfs/dbraw/zinc/47/34/67/1066473467.db2.gz ALKMJTPSGLFNRS-UHFFFAOYSA-N 0 3 455.599 4.808 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC001444646827 1066487866 /nfs/dbraw/zinc/48/78/66/1066487866.db2.gz HEHLHVPDIVWKQQ-UHFFFAOYSA-N 0 3 459.377 4.657 20 0 JJADHN CCc1sc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cc1C ZINC001444655368 1066489717 /nfs/dbraw/zinc/48/97/17/1066489717.db2.gz ZPFBVVBDSSCLFJ-UHFFFAOYSA-N 0 3 451.430 4.655 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC001456059863 1066497979 /nfs/dbraw/zinc/49/79/79/1066497979.db2.gz SOXQNJNBNYTCAS-UHFFFAOYSA-N 0 3 458.425 4.700 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccc(Br)cc1 ZINC001456061780 1066498961 /nfs/dbraw/zinc/49/89/61/1066498961.db2.gz VHMWWRWISXBKNQ-UHFFFAOYSA-N 0 3 457.334 4.991 20 0 JJADHN COC(=O)Nc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC001456072374 1066502603 /nfs/dbraw/zinc/50/26/03/1066502603.db2.gz KMSSGDUATODZOU-UHFFFAOYSA-N 0 3 450.366 4.910 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](c2cccs2)N(C)C)o1 ZINC001361200055 1066529401 /nfs/dbraw/zinc/52/94/01/1066529401.db2.gz MEQSQDWVMVNVBP-MRXNPFEDSA-N 0 3 453.534 4.990 20 0 JJADHN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCC3(N4CCSCC4)CCCCC3)c2)no1 ZINC001456302423 1066559185 /nfs/dbraw/zinc/55/91/85/1066559185.db2.gz JWGPQABAFLWCDO-UHFFFAOYSA-N 0 3 456.656 4.807 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361224133 1066562409 /nfs/dbraw/zinc/56/24/09/1066562409.db2.gz KENZRVSGBNSPBI-LJQANCHMSA-N 0 3 460.464 4.840 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361224279 1066562427 /nfs/dbraw/zinc/56/24/27/1066562427.db2.gz OGVKFESUUNVWRS-IBGZPJMESA-N 0 3 458.006 4.745 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccsc2)cc1Br ZINC001361224587 1066563430 /nfs/dbraw/zinc/56/34/30/1066563430.db2.gz ZBFIHGRZTIPCGV-UHFFFAOYSA-N 0 3 474.472 4.904 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3c3ccccc3Br)CC2)c1 ZINC001445596743 1066593303 /nfs/dbraw/zinc/59/33/03/1066593303.db2.gz BFATVECNEIKNOU-QHCPKHFHSA-N 0 3 456.428 4.633 20 0 JJADHN COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)ccc2c1 ZINC001456489878 1066597557 /nfs/dbraw/zinc/59/75/57/1066597557.db2.gz NEBSKPBUCCTUDP-BUAVBCDTSA-N 0 3 457.574 4.667 20 0 JJADHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001445705276 1066607579 /nfs/dbraw/zinc/60/75/79/1066607579.db2.gz UNMWRCPGSIKTSM-DENIHFKCSA-N 0 3 454.590 4.789 20 0 JJADHN Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001361268642 1066621840 /nfs/dbraw/zinc/62/18/40/1066621840.db2.gz VOVKOSRCUGPAHE-GOSISDBHSA-N 0 3 457.619 4.896 20 0 JJADHN CC(C)N1CC[C@H](C(=O)O[C@@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288027 1066646364 /nfs/dbraw/zinc/64/63/64/1066646364.db2.gz GFBGXGGEVNALJX-YQVWRLOYSA-N 0 3 452.382 4.608 20 0 JJADHN Cc1ccc(OCc2nnc(N3CCC=C(C)C3)n2C[C@@H](c2cccs2)N(C)C)cc1C ZINC001492613514 1066676146 /nfs/dbraw/zinc/67/61/46/1066676146.db2.gz XGKMWWHWUVMXHE-QFIPXVFZSA-N 0 3 451.640 4.995 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2cc(Cl)ccc2Br)cc1 ZINC001446348612 1066694399 /nfs/dbraw/zinc/69/43/99/1066694399.db2.gz HPOQGYBDMSPUBI-HXUWFJFHSA-N 0 3 451.792 4.607 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 ZINC001446358148 1066696318 /nfs/dbraw/zinc/69/63/18/1066696318.db2.gz YPXULBVAEDAMDI-MHZLTWQESA-N 0 3 458.558 4.654 20 0 JJADHN Cc1cnc([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492631734 1066708960 /nfs/dbraw/zinc/70/89/60/1066708960.db2.gz QKGWVQJHSHJEPD-MRXNPFEDSA-N 0 3 474.625 4.636 20 0 JJADHN Cc1ccc(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1N1CCOCC1 ZINC001457033453 1066748970 /nfs/dbraw/zinc/74/89/70/1066748970.db2.gz FKXOLAJYXALUFO-UHFFFAOYSA-N 0 3 457.618 4.606 20 0 JJADHN CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990775 1066757595 /nfs/dbraw/zinc/75/75/95/1066757595.db2.gz YFNOPCORUYCSGB-GGAORHGYSA-N 0 3 487.664 4.727 20 0 JJADHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc(C(F)(F)F)ccc1Br ZINC001447153474 1066778438 /nfs/dbraw/zinc/77/84/38/1066778438.db2.gz MNEMPZLKVXFJQR-UHFFFAOYSA-N 0 3 457.290 4.677 20 0 JJADHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001447322554 1066792525 /nfs/dbraw/zinc/79/25/25/1066792525.db2.gz SQYJDCWIEANRAY-UHFFFAOYSA-N 0 3 455.965 4.756 20 0 JJADHN CCCOc1nc2ccccc2cc1/C=C/C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001447569097 1066823231 /nfs/dbraw/zinc/82/32/31/1066823231.db2.gz RGDZLANNARPSPX-OUKQBFOZSA-N 0 3 459.590 4.805 20 0 JJADHN Cc1cc(-c2csc(NC(=O)CCCN3CCN(c4ccccc4)CC3)n2)c(F)cc1F ZINC001457404000 1066823654 /nfs/dbraw/zinc/82/36/54/1066823654.db2.gz XPENNPGSPMSRTP-UHFFFAOYSA-N 0 3 456.562 4.938 20 0 JJADHN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)cs1 ZINC001492681931 1066824217 /nfs/dbraw/zinc/82/42/17/1066824217.db2.gz LFTJNUZTPLTCMX-ATIYNZHBSA-N 0 3 482.698 4.578 20 0 JJADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462413 1066835778 /nfs/dbraw/zinc/83/57/78/1066835778.db2.gz GRPMLLLOSXMIJI-GOTSBHOMSA-N 0 3 456.428 4.539 20 0 JJADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462443 1066835841 /nfs/dbraw/zinc/83/58/41/1066835841.db2.gz GRPMLLLOSXMIJI-XZOQPEGZSA-N 0 3 456.428 4.539 20 0 JJADHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001447742444 1066850828 /nfs/dbraw/zinc/85/08/28/1066850828.db2.gz LAEMZZYQEVGNHI-UHFFFAOYSA-N 0 3 457.412 4.866 20 0 JJADHN Cc1c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537635 1066854262 /nfs/dbraw/zinc/85/42/62/1066854262.db2.gz NLXCQDAYMGYQFI-JOCHJYFZSA-N 0 3 456.512 4.936 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001448029184 1066892373 /nfs/dbraw/zinc/89/23/73/1066892373.db2.gz QLWZEKONZWLCSM-KSFYIVLOSA-N 0 3 455.400 4.673 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)CCCC(=O)c3ccc(Br)cc3)c2)CC1 ZINC001448054736 1066894738 /nfs/dbraw/zinc/89/47/38/1066894738.db2.gz OSOZIYNQSGQUDB-UHFFFAOYSA-N 0 3 458.400 4.583 20 0 JJADHN CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001457734310 1066906796 /nfs/dbraw/zinc/90/67/96/1066906796.db2.gz YLFIZVQJPDPJGG-INIZCTEOSA-N 0 3 459.363 4.809 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001492735608 1066909495 /nfs/dbraw/zinc/90/94/95/1066909495.db2.gz CHHHHXKOFNOALI-HXUWFJFHSA-N 0 3 469.684 4.510 20 0 JJADHN CN(C)C[C@@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406915 1066924500 /nfs/dbraw/zinc/92/45/00/1066924500.db2.gz SCFHWBZUSPTKBE-JWQCQUIFSA-N 0 3 452.982 4.762 20 0 JJADHN Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001492843609 1066956692 /nfs/dbraw/zinc/95/66/92/1066956692.db2.gz HZCPJJZMNYBOBK-AEFFLSMTSA-N 0 3 482.551 4.888 20 0 JJADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(Cl)c(Br)cc1F ZINC001448922953 1066970130 /nfs/dbraw/zinc/97/01/30/1066970130.db2.gz OTDOKGUEKDQNPG-UHFFFAOYSA-N 0 3 457.693 4.777 20 0 JJADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1nc2ccccc2cc1Br ZINC001448923436 1066970572 /nfs/dbraw/zinc/97/05/72/1066970572.db2.gz RHXVZHILPYRUMW-UHFFFAOYSA-N 0 3 456.306 4.532 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093053 1066972597 /nfs/dbraw/zinc/97/25/97/1066972597.db2.gz INVRFIMIFMIPHU-LJQANCHMSA-N 0 3 458.484 4.675 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(Br)ccc1C ZINC001458093310 1066972841 /nfs/dbraw/zinc/97/28/41/1066972841.db2.gz LAHSGTQRIIXRDA-HXUWFJFHSA-N 0 3 453.384 4.962 20 0 JJADHN COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001458096331 1066974242 /nfs/dbraw/zinc/97/42/42/1066974242.db2.gz YIXGQFHRELDZKG-LJQANCHMSA-N 0 3 453.612 4.537 20 0 JJADHN CC[C@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722604 1066978118 /nfs/dbraw/zinc/97/81/18/1066978118.db2.gz XISNXZMQXNJQTC-GGAORHGYSA-N 0 3 495.741 4.542 20 0 JJADHN COc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122372 1066981987 /nfs/dbraw/zinc/98/19/87/1066981987.db2.gz BKVIPHDPVGHHNH-GOSISDBHSA-N 0 3 456.493 4.501 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545731897 1066992084 /nfs/dbraw/zinc/99/20/84/1066992084.db2.gz UUSWAGQKGGTGGE-DGWZTRNLSA-N 0 3 480.745 4.966 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261857 1066993551 /nfs/dbraw/zinc/99/35/51/1066993551.db2.gz CIAMTZVMLDWMII-IBGZPJMESA-N 0 3 456.801 4.576 20 0 JJADHN CCCN(C)[C@H](CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC001449261861 1066993747 /nfs/dbraw/zinc/99/37/47/1066993747.db2.gz CIAMTZVMLDWMII-LJQANCHMSA-N 0 3 456.801 4.576 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545736613 1067000548 /nfs/dbraw/zinc/00/05/48/1067000548.db2.gz SPDPHXQVHUGIPF-REWPJTCUSA-N 0 3 492.634 4.625 20 0 JJADHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 ZINC001449333178 1067000697 /nfs/dbraw/zinc/00/06/97/1067000697.db2.gz OQOQICVJZXCFPG-XMMPIXPASA-N 0 3 456.546 4.753 20 0 JJADHN CCCN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001449355789 1067002724 /nfs/dbraw/zinc/00/27/24/1067002724.db2.gz LQAHMYILFLSZIC-WIOPSUGQSA-N 0 3 453.652 4.875 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740634 1067005721 /nfs/dbraw/zinc/00/57/21/1067005721.db2.gz AZKUDMWSLANADR-JWQCQUIFSA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740636 1067005779 /nfs/dbraw/zinc/00/57/79/1067005779.db2.gz AZKUDMWSLANADR-RPBOFIJWSA-N 0 3 466.718 4.718 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC001449678850 1067020020 /nfs/dbraw/zinc/02/00/20/1067020020.db2.gz KJUXEQSRAWZEDN-SFHVURJKSA-N 0 3 457.018 4.854 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(c4cc(F)cc(F)c4)CCCC3)CC2)cc1 ZINC001449904008 1067036124 /nfs/dbraw/zinc/03/61/24/1067036124.db2.gz MMTDYYOHSKQGCB-UHFFFAOYSA-N 0 3 455.549 4.516 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCc1sc(C)nc1C)c1ccccc1 ZINC001545758258 1067036982 /nfs/dbraw/zinc/03/69/82/1067036982.db2.gz CVXCAZUPWFWULN-HSZRJFAPSA-N 0 3 466.699 4.914 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CCCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758358 1067037498 /nfs/dbraw/zinc/03/74/98/1067037498.db2.gz FJKAMDRSRJYIJP-DEOSSOPVSA-N 0 3 498.716 4.855 20 0 JJADHN FC(F)(F)c1ccc(I)c(NC[C@H]2CCCN2C2CCCCC2)n1 ZINC001458346991 1067037952 /nfs/dbraw/zinc/03/79/52/1067037952.db2.gz NCWLIVNBTZDGQI-CYBMUJFWSA-N 0 3 453.290 4.914 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1)c1ccccc1 ZINC001545758537 1067038530 /nfs/dbraw/zinc/03/85/30/1067038530.db2.gz IVUJVUVIQHXWAD-VWLOTQADSA-N 0 3 489.712 4.888 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046624 1067044366 /nfs/dbraw/zinc/04/43/66/1067044366.db2.gz JPKSVVYYSBCQIV-RTWAWAEBSA-N 0 3 459.403 4.891 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113811 1067049594 /nfs/dbraw/zinc/04/95/94/1067049594.db2.gz JMPOEXUHRNUUOP-JOCHJYFZSA-N 0 3 453.030 4.951 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109781 1067049778 /nfs/dbraw/zinc/04/97/78/1067049778.db2.gz FSANTWKBFZPBIG-MUUNZHRXSA-N 0 3 458.650 4.666 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)N(C)C)cc1 ZINC001450126091 1067050838 /nfs/dbraw/zinc/05/08/38/1067050838.db2.gz IXFVJEGHKNGWQC-TYBLODHISA-N 0 3 461.672 4.697 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)N(C)C)cc1 ZINC001450132530 1067051824 /nfs/dbraw/zinc/05/18/24/1067051824.db2.gz PXXLLAJWVAOUPH-HSZRJFAPSA-N 0 3 452.599 4.645 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2OC(C)C)N(C)C)cc1 ZINC001450141079 1067053319 /nfs/dbraw/zinc/05/33/19/1067053319.db2.gz ZIIKDAPZPGQYBR-LJQANCHMSA-N 0 3 451.430 4.991 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545774572 1067067885 /nfs/dbraw/zinc/06/78/85/1067067885.db2.gz UDWYWAJALNGALR-UHFFFAOYSA-N 0 3 488.677 4.708 20 0 JJADHN CCOc1ccc([C@H](O)C2CCN(C(=O)[C@@H]3CCCCN3Cc3cccc(C)c3)CC2)cc1 ZINC001450415978 1067078986 /nfs/dbraw/zinc/07/89/86/1067078986.db2.gz RPPDLMBIAGZXKJ-SVBPBHIXSA-N 0 3 450.623 4.720 20 0 JJADHN CC[C@@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)CCO1 ZINC001546102014 1067086640 /nfs/dbraw/zinc/08/66/40/1067086640.db2.gz PIJQLFRGUVAAHR-QHCPKHFHSA-N 0 3 482.456 4.655 20 0 JJADHN C[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541399 1067088723 /nfs/dbraw/zinc/08/87/23/1067088723.db2.gz OBUJTSLYGDVGHT-XXBNENTESA-N 0 3 455.549 4.538 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568335 1067088922 /nfs/dbraw/zinc/08/89/22/1067088922.db2.gz QHKCFHSAAQZKEN-RLWLMLJZSA-N 0 3 457.590 4.734 20 0 JJADHN CCC(O)(CC)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001546024327 1067091990 /nfs/dbraw/zinc/09/19/90/1067091990.db2.gz AQUKWYKHNKRVDK-UHFFFAOYSA-N 0 3 498.897 4.833 20 0 JJADHN CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545795088 1067094490 /nfs/dbraw/zinc/09/44/90/1067094490.db2.gz WZSKMWJWSFODGB-UHFFFAOYSA-N 0 3 487.664 4.902 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626505 1067098429 /nfs/dbraw/zinc/09/84/29/1067098429.db2.gz HGNAAGYZKYEKQK-UWJYYQICSA-N 0 3 458.002 4.866 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1)N(C)C ZINC001545805422 1067119794 /nfs/dbraw/zinc/11/97/94/1067119794.db2.gz MWHIPQYPMXNFHM-XMMPIXPASA-N 0 3 489.730 4.587 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)N(C)C)cc1 ZINC001450786113 1067121027 /nfs/dbraw/zinc/12/10/27/1067121027.db2.gz LZEDHANLMHJOEJ-DEOSSOPVSA-N 0 3 453.627 4.943 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2nc(NCc3ccco3)ncc2Cl)N(C)C)cc1 ZINC001450786442 1067121221 /nfs/dbraw/zinc/12/12/21/1067121221.db2.gz MYQXBIIXJVKUND-NRFANRHFSA-N 0 3 455.990 4.566 20 0 JJADHN Cc1ccccc1-n1ccnc1SCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450793531 1067121861 /nfs/dbraw/zinc/12/18/61/1067121861.db2.gz VYVJMJOSVIVXLP-XMMPIXPASA-N 0 3 450.652 4.890 20 0 JJADHN C[C@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC001450796599 1067122519 /nfs/dbraw/zinc/12/25/19/1067122519.db2.gz OYKZQCYYPJEJMR-SBUREZEXSA-N 0 3 452.549 4.976 20 0 JJADHN Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450802733 1067123301 /nfs/dbraw/zinc/12/33/01/1067123301.db2.gz NOASOBYTDNNFKY-FQEVSTJZSA-N 0 3 457.416 4.636 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 ZINC001545807185 1067124345 /nfs/dbraw/zinc/12/43/45/1067124345.db2.gz CIHCJVPOHRPKTK-DRLORSAXSA-N 0 3 497.728 4.993 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)N1CCOCC1 ZINC001545808160 1067132374 /nfs/dbraw/zinc/13/23/74/1067132374.db2.gz TZTRLEYOUDLYRL-FGZHOGPDSA-N 0 3 478.106 4.677 20 0 JJADHN CCN1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@H](C)C1 ZINC001450973965 1067138032 /nfs/dbraw/zinc/13/80/32/1067138032.db2.gz GIOPHUJTCVSLEN-MRXNPFEDSA-N 0 3 451.430 4.954 20 0 JJADHN COc1cc(CN(C)C)ccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC001451085294 1067145377 /nfs/dbraw/zinc/14/53/77/1067145377.db2.gz CNOGMWLRNHBLBQ-UHFFFAOYSA-N 0 3 452.938 4.659 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106519 1067146828 /nfs/dbraw/zinc/14/68/28/1067146828.db2.gz IBGMAERETPNGEM-VYKTZEHYSA-N 0 3 481.612 4.557 20 0 JJADHN CC1CCC(C)(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 ZINC001451325877 1067160096 /nfs/dbraw/zinc/16/00/96/1067160096.db2.gz HXVKNHJDJRMKAN-UHFFFAOYSA-N 0 3 457.659 4.879 20 0 JJADHN CC(C)n1c(=O)c2ccccc2nc1SCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC001458830504 1067161443 /nfs/dbraw/zinc/16/14/43/1067161443.db2.gz APADVFPPYWEFKJ-UHFFFAOYSA-N 0 3 457.043 4.935 20 0 JJADHN CC(C)([C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(F)c(F)c1)N1CCCC1 ZINC001458839936 1067166859 /nfs/dbraw/zinc/16/68/59/1067166859.db2.gz VLDFLCSWDHJOAD-JOCHJYFZSA-N 0 3 456.562 4.758 20 0 JJADHN CCC(CC)c1cc(Cn2c(Cc3cccnc3)nnc2N2CCN(CCC(C)(C)C)CC2)on1 ZINC001545824591 1067169339 /nfs/dbraw/zinc/16/93/39/1067169339.db2.gz COXMVXXHBZDBRK-UHFFFAOYSA-N 0 3 479.673 4.762 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@H]1N(C)CCCC1(C)C ZINC001545826143 1067173525 /nfs/dbraw/zinc/17/35/25/1067173525.db2.gz GZRUGUWXSXVEQW-VGOFRKELSA-N 0 3 490.643 4.793 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1CCCCN1C1CC1 ZINC001545826997 1067177247 /nfs/dbraw/zinc/17/72/47/1067177247.db2.gz YQNPQCKGVFEBKB-GHTZIAJQSA-N 0 3 470.637 4.550 20 0 JJADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001451571741 1067178392 /nfs/dbraw/zinc/17/83/92/1067178392.db2.gz YCRRWJJFGKCSAQ-UHFFFAOYSA-N 0 3 452.957 4.903 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545849481 1067203304 /nfs/dbraw/zinc/20/33/04/1067203304.db2.gz PEIMIEHFUQKROR-QPPBQGQZSA-N 0 3 480.701 4.906 20 0 JJADHN Cc1cc2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972863 1067213620 /nfs/dbraw/zinc/21/36/20/1067213620.db2.gz JILIUFDIUVRTMB-IBGZPJMESA-N 0 3 457.368 4.525 20 0 JJADHN CC1(C(=O)Oc2cc(F)cc(I)c2)CCN(Cc2ccccc2)CC1 ZINC001458984872 1067219287 /nfs/dbraw/zinc/21/92/87/1067219287.db2.gz YCMQEQSTNRAAOT-UHFFFAOYSA-N 0 3 453.295 4.638 20 0 JJADHN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001546104937 1067220601 /nfs/dbraw/zinc/22/06/01/1067220601.db2.gz OEWDXFPRMSYCNW-KCWPFWIISA-N 0 3 469.674 4.638 20 0 JJADHN O=C(CS[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141412 1067259517 /nfs/dbraw/zinc/25/95/17/1067259517.db2.gz KDMSWKBXSBYXSG-OAQYLSRUSA-N 0 3 455.027 4.921 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350430 1067300575 /nfs/dbraw/zinc/30/05/75/1067300575.db2.gz XQGGRMHTCNVDBP-AZGAKELHSA-N 0 3 452.595 4.861 20 0 JJADHN Cc1cc(I)ccc1NC(=O)CN(CCc1ccccc1)CC(C)C ZINC001459361927 1067303434 /nfs/dbraw/zinc/30/34/34/1067303434.db2.gz DKIGCYOEOSKAMV-UHFFFAOYSA-N 0 3 450.364 4.739 20 0 JJADHN COCc1ccccc1CNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C ZINC001459392047 1067311515 /nfs/dbraw/zinc/31/15/15/1067311515.db2.gz LBRVZVJNASGKDB-DCLXLUIPSA-N 0 3 452.595 4.505 20 0 JJADHN C[C@@H]1CCC[C@H](N(CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001459392852 1067312186 /nfs/dbraw/zinc/31/21/86/1067312186.db2.gz LVPATRCIGNGRIF-MSYCTHLASA-N 0 3 459.608 4.525 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCc2cc(C(C)(C)C)ccc2C1 ZINC001459395022 1067312864 /nfs/dbraw/zinc/31/28/64/1067312864.db2.gz GHHWSOAAZSBCFC-DQEYMECFSA-N 0 3 452.639 4.839 20 0 JJADHN FC(F)(F)c1cc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC001459398368 1067313436 /nfs/dbraw/zinc/31/34/36/1067313436.db2.gz YNXDFGDRHYMWRD-LJQANCHMSA-N 0 3 452.952 4.788 20 0 JJADHN CCN(CCOc1ccc(Br)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC001459578856 1067356005 /nfs/dbraw/zinc/35/60/05/1067356005.db2.gz STHVVTYYPJBXMS-UHFFFAOYSA-N 0 3 457.162 4.841 20 0 JJADHN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC001459593722 1067359455 /nfs/dbraw/zinc/35/94/55/1067359455.db2.gz MEOSSGIOFARUMM-HXUWFJFHSA-N 0 3 458.444 4.991 20 0 JJADHN O=C(CN1CCC(Cc2ccccc2F)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459657891 1067373434 /nfs/dbraw/zinc/37/34/34/1067373434.db2.gz RTSDMWSFRJPRND-VWLOTQADSA-N 0 3 458.021 4.687 20 0 JJADHN CCOc1ccc([C@H](C)NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459664535 1067375948 /nfs/dbraw/zinc/37/59/48/1067375948.db2.gz AFQIBKRKXCLXPN-NKKJXINNSA-N 0 3 454.611 4.639 20 0 JJADHN CSc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666065 1067376756 /nfs/dbraw/zinc/37/67/56/1067376756.db2.gz YJMWYATULWASHF-HKUYNNGSSA-N 0 3 459.999 4.731 20 0 JJADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668487 1067377676 /nfs/dbraw/zinc/37/76/76/1067377676.db2.gz HIEAUNUXGBUZQT-FJIJXJHWSA-N 0 3 454.611 4.558 20 0 JJADHN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706983 1067389777 /nfs/dbraw/zinc/38/97/77/1067389777.db2.gz HHLXEWQSFHTJOW-HOYKHHGWSA-N 0 3 452.549 4.592 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)c(OCC)c2)CC1 ZINC001459711289 1067391724 /nfs/dbraw/zinc/39/17/24/1067391724.db2.gz VARYETHVJTWHRE-UHFFFAOYSA-N 0 3 457.525 4.684 20 0 JJADHN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001459714856 1067393410 /nfs/dbraw/zinc/39/34/10/1067393410.db2.gz HJSVHJIXQOPPSX-NRFANRHFSA-N 0 3 450.501 4.972 20 0 JJADHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722940 1067395989 /nfs/dbraw/zinc/39/59/89/1067395989.db2.gz UDAWZOAXSUDYNQ-FQRUVTKNSA-N 0 3 458.647 4.679 20 0 JJADHN COc1ccc(CN2CCCN(C(=O)CN[C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)cc1 ZINC001459830824 1067443772 /nfs/dbraw/zinc/44/37/72/1067443772.db2.gz MOILUQGKOQTRSK-RUZDIDTESA-N 0 3 455.618 4.636 20 0 JJADHN CC[C@@H](C)[C@@H](NCc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847755 1067453164 /nfs/dbraw/zinc/45/31/64/1067453164.db2.gz BNPQWUCIRRBRLX-WZONZLPQSA-N 0 3 458.444 4.830 20 0 JJADHN CC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851801 1067456060 /nfs/dbraw/zinc/45/60/60/1067456060.db2.gz HGZOOBJSQFNWGE-NHCUHLMSSA-N 0 3 451.394 4.769 20 0 JJADHN O=C(CN[C@H](c1ccc(Cl)cc1)C1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459851319 1067456241 /nfs/dbraw/zinc/45/62/41/1067456241.db2.gz QJNSUWSVFZSJMA-FQEVSTJZSA-N 0 3 456.942 4.796 20 0 JJADHN C[C@@H](N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866759 1067464005 /nfs/dbraw/zinc/46/40/05/1067464005.db2.gz VKBUBRGEZILHSX-KZULUSFZSA-N 0 3 457.290 4.994 20 0 JJADHN C[C@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867717 1067464661 /nfs/dbraw/zinc/46/46/61/1067464661.db2.gz LCTRIBBYESUTFB-HTAPYJJXSA-N 0 3 459.512 4.674 20 0 JJADHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870416 1067467270 /nfs/dbraw/zinc/46/72/70/1067467270.db2.gz NRWPGDMZEUGKBM-LWLIDHTLSA-N 0 3 454.739 4.870 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@@H](CC)[C@@H]1CCCO1 ZINC001459927066 1067494807 /nfs/dbraw/zinc/49/48/07/1067494807.db2.gz WUJRRVJMGPVCAQ-WMZOPIPTSA-N 0 3 450.988 4.731 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944988 1067501853 /nfs/dbraw/zinc/50/18/53/1067501853.db2.gz IWRXDLHNTUDAHN-QHCPKHFHSA-N 0 3 455.002 4.910 20 0 JJADHN FC(F)(F)Oc1cccc(C2(NCc3ccc(Cl)cc3-n3cncn3)CCOCC2)c1 ZINC001460032527 1067534832 /nfs/dbraw/zinc/53/48/32/1067534832.db2.gz YKKRJZZPMDJAII-UHFFFAOYSA-N 0 3 452.864 4.615 20 0 JJADHN CCOC(=O)c1cnn(C2CCN(Cc3ccc(OCc4ccccc4F)cc3)CC2)c1C ZINC001460086249 1067550390 /nfs/dbraw/zinc/55/03/90/1067550390.db2.gz UOGLRDUYLILFHH-UHFFFAOYSA-N 0 3 451.542 4.923 20 0 JJADHN CCn1c2ccccc2c2cc(NC(=O)CN[C@H](C)[C@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093408 1067552778 /nfs/dbraw/zinc/55/27/78/1067552778.db2.gz KLJZXSDMTLSDQR-XXBNENTESA-N 0 3 457.574 4.763 20 0 JJADHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC001460126520 1067560550 /nfs/dbraw/zinc/56/05/50/1067560550.db2.gz VDAAZYJTRBRDET-DLBZAZTESA-N 0 3 450.988 4.587 20 0 JJADHN CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC001546114185 1067564276 /nfs/dbraw/zinc/56/42/76/1067564276.db2.gz YFHKVIRAVBDGGL-HSZRJFAPSA-N 0 3 485.742 4.979 20 0 JJADHN O=C(CCN1CCC[C@](CO)(Cc2ccccc2)C1)Nc1ccccc1C(=O)c1ccccc1 ZINC001460183716 1067573914 /nfs/dbraw/zinc/57/39/14/1067573914.db2.gz VDXYHTFTAIBHMR-LJAQVGFWSA-N 0 3 456.586 4.563 20 0 JJADHN CN1CC[C@H](NCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC001460192555 1067575616 /nfs/dbraw/zinc/57/56/16/1067575616.db2.gz NJERACJHWBQPMI-XJUOHMSHSA-N 0 3 450.385 4.831 20 0 JJADHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC001460194617 1067576193 /nfs/dbraw/zinc/57/61/93/1067576193.db2.gz HXHCPILJMWAQAN-RUZDIDTESA-N 0 3 458.537 4.841 20 0 JJADHN C[C@](O)(CN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Br)cc1F ZINC001460197582 1067577008 /nfs/dbraw/zinc/57/70/08/1067577008.db2.gz NTJHYRKANCJXHI-NRFANRHFSA-N 0 3 451.311 4.956 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)cc1 ZINC001460210267 1067580037 /nfs/dbraw/zinc/58/00/37/1067580037.db2.gz AGGRXAKBGNHMRY-UHFFFAOYSA-N 0 3 451.567 4.907 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)CCCOc3cccc4ccccc43)CC2)cc1 ZINC001460214046 1067580989 /nfs/dbraw/zinc/58/09/89/1067580989.db2.gz SIGVYRXHSTYXEE-UHFFFAOYSA-N 0 3 459.590 4.738 20 0 JJADHN C[C@H]1CC2(CN1C[C@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279164 1067596694 /nfs/dbraw/zinc/59/66/94/1067596694.db2.gz YCQSPBDXJZFBDT-LPHOPBHVSA-N 0 3 453.421 4.594 20 0 JJADHN O=C(C[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302266 1067602313 /nfs/dbraw/zinc/60/23/13/1067602313.db2.gz PIRVXPIQWOHYLL-HSZRJFAPSA-N 0 3 459.565 4.997 20 0 JJADHN C[C@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340483 1067611955 /nfs/dbraw/zinc/61/19/55/1067611955.db2.gz TWHVFCUCLUAEJP-WMZHIEFXSA-N 0 3 455.599 4.725 20 0 JJADHN CCOc1ccccc1OCC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001460350477 1067614484 /nfs/dbraw/zinc/61/44/84/1067614484.db2.gz QWXKTGCHGRAJQU-RUZDIDTESA-N 0 3 459.590 4.553 20 0 JJADHN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(CCc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC001460364049 1067619143 /nfs/dbraw/zinc/61/91/43/1067619143.db2.gz SVSXDUTVUGFJLF-UUOWRZLLSA-N 0 3 451.007 4.671 20 0 JJADHN Cc1ccc(N2CC[C@H](N[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC001460392956 1067625235 /nfs/dbraw/zinc/62/52/35/1067625235.db2.gz UUOPTTRDKFYICC-TZRRMPRUSA-N 0 3 467.585 4.622 20 0 JJADHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460398353 1067626631 /nfs/dbraw/zinc/62/66/31/1067626631.db2.gz BLXKMANAZSXIQM-VWLOTQADSA-N 0 3 455.602 4.582 20 0 JJADHN CCC1(CC)CN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001546116071 1067629194 /nfs/dbraw/zinc/62/91/94/1067629194.db2.gz GKNVPBMJMSKCLR-QFIPXVFZSA-N 0 3 468.646 4.894 20 0 JJADHN O=C(CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC001460411604 1067629666 /nfs/dbraw/zinc/62/96/66/1067629666.db2.gz RDPQCJMYNVKJGJ-SANMLTNESA-N 0 3 459.005 4.789 20 0 JJADHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC001460458059 1067638102 /nfs/dbraw/zinc/63/81/02/1067638102.db2.gz MQKHPZYKEYFKLE-RUZDIDTESA-N 0 3 458.624 4.760 20 0 JJADHN COc1ccc(N=c2scc(CN3CC[C@H](C)[C@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501941 1067645652 /nfs/dbraw/zinc/64/56/52/1067645652.db2.gz FCOXTJAQTFUPRP-VWPQPMDRSA-N 0 3 451.636 4.850 20 0 JJADHN COc1cccc([C@@H]2CCN(CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720014 1067708837 /nfs/dbraw/zinc/70/88/37/1067708837.db2.gz QBRIRUFLIXLMLJ-XZOQPEGZSA-N 0 3 452.595 4.644 20 0 JJADHN COc1cccc([C@H]2CCN(CC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460719997 1067708868 /nfs/dbraw/zinc/70/88/68/1067708868.db2.gz QBRIRUFLIXLMLJ-DHIUTWEWSA-N 0 3 452.595 4.644 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](c4cccc(Cl)c4)C3(C)C)cc2)CC1 ZINC001460723786 1067709733 /nfs/dbraw/zinc/70/97/33/1067709733.db2.gz FCEULAWDJXRMFB-XMMPIXPASA-N 0 3 455.046 4.689 20 0 JJADHN Cc1ccc(CN(C(=O)CN2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778272 1067721414 /nfs/dbraw/zinc/72/14/14/1067721414.db2.gz NYGCPOMJNXSUEA-MHZLTWQESA-N 0 3 455.643 4.599 20 0 JJADHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@@]2(C)CCOc3ccccc32)cc1 ZINC001460826324 1067730266 /nfs/dbraw/zinc/73/02/66/1067730266.db2.gz ZBZFROHQFWHRHS-MHZLTWQESA-N 0 3 459.546 4.564 20 0 JJADHN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC001460860211 1067736071 /nfs/dbraw/zinc/73/60/71/1067736071.db2.gz QQCCJODBCMZHJQ-IBGZPJMESA-N 0 3 455.437 4.745 20 0 JJADHN CCOC(=O)C1(C(F)(F)F)CCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460860352 1067736355 /nfs/dbraw/zinc/73/63/55/1067736355.db2.gz NTFLFSBKSJTZPV-UHFFFAOYSA-N 0 3 450.542 4.621 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H]1CN(CC(C)C)CCO1 ZINC001460994897 1067759238 /nfs/dbraw/zinc/75/92/38/1067759238.db2.gz IQGRPKOERFHYCO-DEOSSOPVSA-N 0 3 452.574 4.559 20 0 JJADHN C[C@@H]1CN([C@H](CNCc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053120 1067770599 /nfs/dbraw/zinc/77/05/99/1067770599.db2.gz ZZLPVJWPJTYUTJ-BFUOFWGJSA-N 0 3 459.762 4.932 20 0 JJADHN O=C(c1ccc(Br)cc1Br)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001461055378 1067771467 /nfs/dbraw/zinc/77/14/67/1067771467.db2.gz VITQGARYVACAKD-BEFAXECRSA-N 0 3 464.201 4.558 20 0 JJADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC001461061914 1067773171 /nfs/dbraw/zinc/77/31/71/1067773171.db2.gz IUNUOVGSKCKEDF-OAHLLOKOSA-N 0 3 450.029 4.660 20 0 JJADHN COc1ccccc1[C@H](CNCc1ccc(F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461064733 1067774218 /nfs/dbraw/zinc/77/42/18/1067774218.db2.gz PZONSHSXCRWJFY-SFHVURJKSA-N 0 3 453.352 4.952 20 0 JJADHN Cc1ccc([C@@H](CNCc2cc(C(F)(F)F)ccc2Br)N2CCOCC2)cc1 ZINC001461083833 1067778293 /nfs/dbraw/zinc/77/82/93/1067778293.db2.gz BFTFJNBKDJPTMY-HXUWFJFHSA-N 0 3 457.334 4.939 20 0 JJADHN C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001461093414 1067780743 /nfs/dbraw/zinc/78/07/43/1067780743.db2.gz RLURKVMCIOVMLI-GJZGRUSLSA-N 0 3 451.792 4.642 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CNC[C@@H](O)c1ccccc1C(F)(F)F ZINC001461123137 1067785610 /nfs/dbraw/zinc/78/56/10/1067785610.db2.gz YFTDETMBRPLDNW-LJQANCHMSA-N 0 3 454.290 4.785 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNCCc3coc(-c4ccccc4)n3)o2)C1 ZINC001461126993 1067786306 /nfs/dbraw/zinc/78/63/06/1067786306.db2.gz BBMPHBUVWIASBM-FQEVSTJZSA-N 0 3 451.567 4.825 20 0 JJADHN Cn1cc(CNCc2ccc(CCNC(=O)OC(C)(C)C)cc2)c(-c2cc(F)ccc2F)n1 ZINC001461127703 1067786785 /nfs/dbraw/zinc/78/67/85/1067786785.db2.gz CRPFFIADIPTJNP-UHFFFAOYSA-N 0 3 456.537 4.722 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148669 1067789501 /nfs/dbraw/zinc/78/95/01/1067789501.db2.gz WYQQKQAEYRYBIN-UPVQGACJSA-N 0 3 450.579 4.814 20 0 JJADHN NC(=O)c1ccccc1N1CC[C@@H](NCc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 ZINC001461181807 1067794347 /nfs/dbraw/zinc/79/43/47/1067794347.db2.gz QBBZSEADYQRQSJ-QGZVFWFLSA-N 0 3 457.908 4.878 20 0 JJADHN CCOc1cc(CNCc2ccc(C3OCCO3)cc2)cc(Br)c1OC(F)F ZINC001461202187 1067798732 /nfs/dbraw/zinc/79/87/32/1067798732.db2.gz KTNCKBFDPDVIIL-UHFFFAOYSA-N 0 3 458.299 4.784 20 0 JJADHN O=C1[C@@H](NCc2cccc(OCc3ccccn3)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209110 1067799713 /nfs/dbraw/zinc/79/97/13/1067799713.db2.gz KEDRUNUPQFJCIA-QHCPKHFHSA-N 0 3 453.489 4.547 20 0 JJADHN COc1ccc(S(=O)(=O)[N-]c2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)cc1 ZINC001461209028 1067799791 /nfs/dbraw/zinc/79/97/91/1067799791.db2.gz PGDFXCATZAGUNW-IFMALSPDSA-N 0 3 451.592 4.707 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCCC(=O)N1Cc2ccccc2C1 ZINC001461217410 1067801575 /nfs/dbraw/zinc/80/15/75/1067801575.db2.gz DXNAWNWCYIZGPX-UHFFFAOYSA-N 0 3 457.405 4.959 20 0 JJADHN CC[C@@H](NCc1cn(-c2ccccc2Br)nc1C)[C@H](O)c1c(F)cccc1F ZINC001461258091 1067812394 /nfs/dbraw/zinc/81/23/94/1067812394.db2.gz PLBSMQUBWXDDJA-NQIIRXRSSA-N 0 3 450.327 4.823 20 0 JJADHN CCNC(=O)COc1cccc(CNCc2ccc(-c3ccccc3Br)cc2)c1 ZINC001461265844 1067814170 /nfs/dbraw/zinc/81/41/70/1067814170.db2.gz PCXZVFXDSTWFSA-UHFFFAOYSA-N 0 3 453.380 4.921 20 0 JJADHN Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272368 1067815602 /nfs/dbraw/zinc/81/56/02/1067815602.db2.gz MKEATNJPWMTPER-WNJJXGMVSA-N 0 3 455.602 4.637 20 0 JJADHN CCc1cc(N2CCC(NCc3c(Cl)n(Cc4ccccc4)nc3C(C)C)CC2)ncn1 ZINC001461275373 1067816181 /nfs/dbraw/zinc/81/61/81/1067816181.db2.gz LYJFPJADEQOIGU-UHFFFAOYSA-N 0 3 453.034 4.819 20 0 JJADHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001461287534 1067818548 /nfs/dbraw/zinc/81/85/48/1067818548.db2.gz XUEGLHQNHCZATM-UHFFFAOYSA-N 0 3 452.046 4.735 20 0 JJADHN Brc1cc(Br)c(OCc2ccccc2)c(CNCCN2CCC2)c1 ZINC001461373162 1067840555 /nfs/dbraw/zinc/84/05/55/1067840555.db2.gz DVNRKNGYNHFSQW-UHFFFAOYSA-N 0 3 454.206 4.586 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001461403020 1067847306 /nfs/dbraw/zinc/84/73/06/1067847306.db2.gz PWFCBHKNSBIHLV-HXUWFJFHSA-N 0 3 452.755 4.867 20 0 JJADHN FC(F)(F)c1cc(Br)ccc1OCCNCc1cnn(Cc2ccccc2)c1 ZINC001461405600 1067847519 /nfs/dbraw/zinc/84/75/19/1067847519.db2.gz PSKZHOUOJHHOMF-UHFFFAOYSA-N 0 3 454.290 4.881 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001461411173 1067849042 /nfs/dbraw/zinc/84/90/42/1067849042.db2.gz HLJLUUFKTCTURR-LJQANCHMSA-N 0 3 457.405 4.685 20 0 JJADHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435677 1067856327 /nfs/dbraw/zinc/85/63/27/1067856327.db2.gz KNXQAGYNUYZBQD-YPMHNXCESA-N 0 3 455.315 4.954 20 0 JJADHN COc1cc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)cc2c1OCCO2 ZINC001461444058 1067858083 /nfs/dbraw/zinc/85/80/83/1067858083.db2.gz LZLAQALXIUTVHS-FQEVSTJZSA-N 0 3 455.352 4.698 20 0 JJADHN CCOc1cc(CNCC2=CCN(C(=O)OC(C)(C)C)CC2)cc(Br)c1OC ZINC001461446680 1067858586 /nfs/dbraw/zinc/85/85/86/1067858586.db2.gz FRNSSXUDQODKKD-UHFFFAOYSA-N 0 3 455.393 4.513 20 0 JJADHN Fc1ccc(CNCCc2cccc(OCC(F)(F)F)c2)c(I)c1 ZINC001461456642 1067861332 /nfs/dbraw/zinc/86/13/32/1067861332.db2.gz NBBILBHACWXIIE-UHFFFAOYSA-N 0 3 453.217 4.704 20 0 JJADHN C/C(=C\c1ccccc1OC(F)F)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464242 1067863263 /nfs/dbraw/zinc/86/32/63/1067863263.db2.gz PIHIFLJPHQEMMH-BJRSVTDJSA-N 0 3 451.311 4.849 20 0 JJADHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC001461512178 1067879718 /nfs/dbraw/zinc/87/97/18/1067879718.db2.gz FGSPSTGVFYXHPQ-GOSISDBHSA-N 0 3 455.649 4.529 20 0 JJADHN COc1cccc(COc2cccc(Cl)c2CNC2CCC(CS(C)(=O)=O)CC2)c1 ZINC001461532641 1067882680 /nfs/dbraw/zinc/88/26/80/1067882680.db2.gz OFFKURDDDHMUOF-UHFFFAOYSA-N 0 3 452.016 4.621 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNC[C@H](O)C1CCC1 ZINC001461574701 1067891777 /nfs/dbraw/zinc/89/17/77/1067891777.db2.gz HQILGIWHSIMOHP-QFIPXVFZSA-N 0 3 456.384 4.986 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC001461624260 1067904177 /nfs/dbraw/zinc/90/41/77/1067904177.db2.gz GIMCJCSCKLNITP-FKBYEOEOSA-N 0 3 473.639 4.886 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ccnn2CC2CCC2)cc1 ZINC001461625455 1067904449 /nfs/dbraw/zinc/90/44/49/1067904449.db2.gz JESAMZYDMVZRTG-ZEQRLZLVSA-N 0 3 454.615 4.575 20 0 JJADHN COc1cc(CCCNCc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc(OC)c1O ZINC001461668276 1067914235 /nfs/dbraw/zinc/91/42/35/1067914235.db2.gz ICCWNERDBOFPJI-UHFFFAOYSA-N 0 3 450.366 4.933 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCC(C)(C)C(=O)N1CCCC1 ZINC001461675146 1067915936 /nfs/dbraw/zinc/91/59/36/1067915936.db2.gz DELUPPHPACBMRU-UHFFFAOYSA-N 0 3 457.833 4.938 20 0 JJADHN Cc1ccccc1CN1CCO[C@@H](CNCc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001461699109 1067920906 /nfs/dbraw/zinc/92/09/06/1067920906.db2.gz URBNSKRTJLYNNV-FQEVSTJZSA-N 0 3 457.334 4.767 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CNC[C@H](O)Cc3ccc(F)cc3)n2)cc1 ZINC001461756860 1067931437 /nfs/dbraw/zinc/93/14/37/1067931437.db2.gz WMVWPHKVIQWCPP-HSZRJFAPSA-N 0 3 451.542 4.928 20 0 JJADHN COc1cc(Cl)ccc1NC(=O)COc1ccc(CNC(C)(C)/C=C/Cl)cc1OC ZINC001461771091 1067933897 /nfs/dbraw/zinc/93/38/97/1067933897.db2.gz UZVPENONVWJISL-MDZDMXLPSA-N 0 3 453.366 4.995 20 0 JJADHN Cc1c(Br)cc(CN(C)C[C@H](O)COCc2ccccc2)cc1Br ZINC001461906810 1067958875 /nfs/dbraw/zinc/95/88/75/1067958875.db2.gz LVDFGCPIZDRWFH-KRWDZBQOSA-N 0 3 457.206 4.530 20 0 JJADHN NC(=O)C1(c2ccccc2)CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461928509 1067962881 /nfs/dbraw/zinc/96/28/81/1067962881.db2.gz UQEYOSJHSVJJCP-UHFFFAOYSA-N 0 3 456.409 4.592 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)COc2cc(C)ccc2Cl)cc1 ZINC001462108253 1068005087 /nfs/dbraw/zinc/00/50/87/1068005087.db2.gz MUGJWONHTMPQSO-UKILVPOCSA-N 0 3 464.993 4.820 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ncsc2C(F)(F)F)cc1 ZINC001462108354 1068005215 /nfs/dbraw/zinc/00/52/15/1068005215.db2.gz NKLCLZDCCPHRPU-RBUKOAKNSA-N 0 3 461.509 4.569 20 0 JJADHN CCc1nc(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109816 1068005611 /nfs/dbraw/zinc/00/56/11/1068005611.db2.gz BZXFZVHDXPEPEG-HXUWFJFHSA-N 0 3 452.002 4.658 20 0 JJADHN CCN1CCN(c2cccc(N[C@H]3CCN(C)[C@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122795 1068010182 /nfs/dbraw/zinc/01/01/82/1068010182.db2.gz AQVDTXFWFHHJON-UPVQGACJSA-N 0 3 457.460 4.838 20 0 JJADHN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)Cc1cccc(S(N)(=O)=O)c1 ZINC001462146540 1068015177 /nfs/dbraw/zinc/01/51/77/1068015177.db2.gz DOOIPLLGBREVDZ-UHFFFAOYSA-N 0 3 451.803 4.585 20 0 JJADHN CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N2CCN(C(C)(C)C)CC2)CCCC1 ZINC001546129912 1068024174 /nfs/dbraw/zinc/02/41/74/1068024174.db2.gz YKUWUDQNJFXPGB-UHFFFAOYSA-N 0 3 477.495 4.937 20 0 JJADHN COCCc1ccc(OC[C@@H](C)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189736 1068025738 /nfs/dbraw/zinc/02/57/38/1068025738.db2.gz PWENTTPYMLZCKU-IIBYNOLFSA-N 0 3 451.394 4.735 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001462234293 1068035047 /nfs/dbraw/zinc/03/50/47/1068035047.db2.gz ZIIIMEUQBPKUCO-PKTZIBPZSA-N 0 3 455.643 4.585 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC001462284234 1068043529 /nfs/dbraw/zinc/04/35/29/1068043529.db2.gz QAPCKAZCGQHMMP-XMMPIXPASA-N 0 3 454.412 4.760 20 0 JJADHN CC(C)[C@H](CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)ONC(=O)OC(C)(C)C ZINC001462362298 1068060273 /nfs/dbraw/zinc/06/02/73/1068060273.db2.gz YDLQRAVQECQORI-IBGZPJMESA-N 0 3 456.509 4.521 20 0 JJADHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562013 1068098767 /nfs/dbraw/zinc/09/87/67/1068098767.db2.gz KNKGEPNGLSYYNB-LJQANCHMSA-N 0 3 457.619 4.563 20 0 JJADHN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623768 1068115581 /nfs/dbraw/zinc/11/55/81/1068115581.db2.gz CGNFSCRXFDRXRI-SFHVURJKSA-N 0 3 452.521 4.687 20 0 JJADHN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC001462623763 1068115729 /nfs/dbraw/zinc/11/57/29/1068115729.db2.gz CGNFSCRXFDRXRI-GOSISDBHSA-N 0 3 452.521 4.687 20 0 JJADHN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001462645690 1068122974 /nfs/dbraw/zinc/12/29/74/1068122974.db2.gz ULWVDTDTEHGKGC-MRXNPFEDSA-N 0 3 450.753 4.876 20 0 JJADHN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC001462645679 1068123024 /nfs/dbraw/zinc/12/30/24/1068123024.db2.gz ULWVDTDTEHGKGC-INIZCTEOSA-N 0 3 450.753 4.876 20 0 JJADHN CC(C)(C)OC(=O)Nc1ncc(CNC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)s1 ZINC001462656739 1068125713 /nfs/dbraw/zinc/12/57/13/1068125713.db2.gz XXEFQOHLVGDNPF-UHFFFAOYSA-N 0 3 452.621 4.759 20 0 JJADHN CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(F)cccc1F ZINC001462949435 1068225517 /nfs/dbraw/zinc/22/55/17/1068225517.db2.gz YEQQCYLSSDZYRP-UHFFFAOYSA-N 0 3 451.366 4.804 20 0 JJADHN O=S(=O)([N-]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031641 1068257692 /nfs/dbraw/zinc/25/76/92/1068257692.db2.gz BLRNJXRJQSRYNS-IBGZPJMESA-N 0 3 454.061 4.787 20 0 JJADHN O=S(=O)([N-]C[C@@H]1CCC[N@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031641 1068257701 /nfs/dbraw/zinc/25/77/01/1068257701.db2.gz BLRNJXRJQSRYNS-IBGZPJMESA-N 0 3 454.061 4.787 20 0 JJADHN CC(C)C[C@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@H](C)c1ccccc1 ZINC001463073761 1068277862 /nfs/dbraw/zinc/27/78/62/1068277862.db2.gz KICUAPYEHMMCRL-NVXWUHKLSA-N 0 3 452.045 4.994 20 0 JJADHN CN(CCc1cccs1)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001463215473 1068322996 /nfs/dbraw/zinc/32/29/96/1068322996.db2.gz GBUDEAKYIJFYMO-BJKOFHAPSA-N 0 3 475.079 4.874 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC001463562003 1068444446 /nfs/dbraw/zinc/44/44/46/1068444446.db2.gz GQFBLHCNMMFALK-JTSKRJEESA-N 0 3 450.501 4.726 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)N2CCCC2)cc1 ZINC001463562924 1068445099 /nfs/dbraw/zinc/44/50/99/1068445099.db2.gz IOFWTHAGJWFCLE-GPXNEJASSA-N 0 3 457.412 4.689 20 0 JJADHN COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Br)N2CCCC2)cc1 ZINC001463566063 1068447547 /nfs/dbraw/zinc/44/75/47/1068447547.db2.gz PRZXGQLUFBSEAB-HXUWFJFHSA-N 0 3 451.792 4.607 20 0 JJADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)(F)F)cc1Br ZINC001463761325 1068515819 /nfs/dbraw/zinc/51/58/19/1068515819.db2.gz HKJUDOFBDAGDTK-GOSISDBHSA-N 0 3 457.290 4.915 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)N(C)C)cc1 ZINC001463764004 1068516521 /nfs/dbraw/zinc/51/65/21/1068516521.db2.gz PFNUYOMGMCXGRU-JOCHJYFZSA-N 0 3 455.400 4.538 20 0 JJADHN COc1cc(C)c(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1C(C)C ZINC001463769458 1068518884 /nfs/dbraw/zinc/51/88/84/1068518884.db2.gz VGSLLBMDVNXRLC-NOTZXAQLSA-N 0 3 456.652 4.991 20 0 JJADHN Cc1cc(Nc2ccc3c(c2)CCCC3)c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c(=O)[nH]1 ZINC001463771111 1068519414 /nfs/dbraw/zinc/51/94/14/1068519414.db2.gz UPEHBAHCVPIRLD-DEOSSOPVSA-N 0 3 458.606 4.621 20 0 JJADHN CCc1c(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)cnn1-c1cccc(Cl)c1 ZINC001463920177 1068566018 /nfs/dbraw/zinc/56/60/18/1068566018.db2.gz VZVCVSRSRHQDBY-XMMPIXPASA-N 0 3 455.002 4.910 20 0 JJADHN C[C@H](CN1CCCCC1)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC001464071788 1068604991 /nfs/dbraw/zinc/60/49/91/1068604991.db2.gz HAWDERYEWDVUJO-QGZVFWFLSA-N 0 3 457.500 4.557 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001464087629 1068610426 /nfs/dbraw/zinc/61/04/26/1068610426.db2.gz QGSOIBOGFGKHBT-UHFFFAOYSA-N 0 3 458.484 4.632 20 0 JJADHN O=C(CC1(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108181 1068618296 /nfs/dbraw/zinc/61/82/96/1068618296.db2.gz WKRNRHRQZXCLGQ-OAQYLSRUSA-N 0 3 454.640 4.593 20 0 JJADHN Cc1cccn2cc(-c3ccc(NC(=O)Cc4csc(SCCN(C)C)n4)cc3)nc12 ZINC001464227055 1068665836 /nfs/dbraw/zinc/66/58/36/1068665836.db2.gz CVWHTNQGQLCESS-UHFFFAOYSA-N 0 3 451.621 4.601 20 0 JJADHN CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001464236896 1068669168 /nfs/dbraw/zinc/66/91/68/1068669168.db2.gz URXOEQOGOXDHHE-XZOQPEGZSA-N 0 3 480.621 4.654 20 0 JJADHN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)c2)n1 ZINC001464243605 1068673473 /nfs/dbraw/zinc/67/34/73/1068673473.db2.gz XRTHGQVMOBBMBC-NRFANRHFSA-N 0 3 452.505 4.508 20 0 JJADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281093 1068689420 /nfs/dbraw/zinc/68/94/20/1068689420.db2.gz KWNGEBBKMDATRZ-VWNXMTODSA-N 0 3 458.021 4.687 20 0 JJADHN C[C@@H](C(=O)N(CCc1ccccc1)CCN(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299926 1068697037 /nfs/dbraw/zinc/69/70/37/1068697037.db2.gz QPAKBJDQYAUHFJ-QPPBQGQZSA-N 0 3 453.627 4.521 20 0 JJADHN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)C1C[C@H](c2ccccc2)OC1=O ZINC001464304699 1068699046 /nfs/dbraw/zinc/69/90/46/1068699046.db2.gz ZLRHSISZGFSJPO-QZTJIDSGSA-N 0 3 457.349 4.739 20 0 JJADHN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)C1C[C@@H](c2ccccc2)OC1=O ZINC001464304700 1068699102 /nfs/dbraw/zinc/69/91/02/1068699102.db2.gz ZLRHSISZGFSJPO-ROUUACIJSA-N 0 3 457.349 4.739 20 0 JJADHN CC1CCN([C@@H](CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464399466 1068732592 /nfs/dbraw/zinc/73/25/92/1068732592.db2.gz KSYBFPAIWGHEKO-NRFANRHFSA-N 0 3 458.393 4.777 20 0 JJADHN COc1cc(C)ccc1Oc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1F ZINC001464441552 1068747140 /nfs/dbraw/zinc/74/71/40/1068747140.db2.gz NDECIUQBMGPKKD-HOTGVXAUSA-N 0 3 457.420 4.858 20 0 JJADHN COc1cc(C)ccc1Oc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1F ZINC001464441546 1068747379 /nfs/dbraw/zinc/74/73/79/1068747379.db2.gz NDECIUQBMGPKKD-CVEARBPZSA-N 0 3 457.420 4.858 20 0 JJADHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc(Br)sc1Br ZINC001464478208 1068760805 /nfs/dbraw/zinc/76/08/05/1068760805.db2.gz PDSPOGAWZYRHQW-UHFFFAOYSA-N 0 3 452.256 4.857 20 0 JJADHN CC(C)(CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC001464492755 1068765625 /nfs/dbraw/zinc/76/56/25/1068765625.db2.gz NDFYRGOIQCJBOV-SANMLTNESA-N 0 3 455.602 4.501 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464501482 1068766691 /nfs/dbraw/zinc/76/66/91/1068766691.db2.gz XILWZBMYCDQZEL-APWZRJJASA-N 0 3 459.553 4.850 20 0 JJADHN Cc1c(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cccc1C(=O)Nc1ccccc1 ZINC001464563953 1068782939 /nfs/dbraw/zinc/78/29/39/1068782939.db2.gz WBRLVDGBXXHXNS-UHFFFAOYSA-N 0 3 457.574 4.704 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)N2CCCC2)cc1 ZINC001464598800 1068794781 /nfs/dbraw/zinc/79/47/81/1068794781.db2.gz UFIMEQHIEUKGGE-YLJYHZDGSA-N 0 3 458.628 4.604 20 0 JJADHN CCCN(C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464675494 1068820973 /nfs/dbraw/zinc/82/09/73/1068820973.db2.gz NVJGDHLZSGNTCA-RPWUZVMVSA-N 0 3 454.014 4.596 20 0 JJADHN CCCN(C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464675486 1068821096 /nfs/dbraw/zinc/82/10/96/1068821096.db2.gz NVJGDHLZSGNTCA-BJKOFHAPSA-N 0 3 454.014 4.596 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630151 719095666 /nfs/dbraw/zinc/09/56/66/719095666.db2.gz VPVMXYCMZBVLMK-VQTJNVASSA-N 0 3 455.940 4.838 20 0 JJADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3cccnc3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164689335 719738729 /nfs/dbraw/zinc/73/87/29/719738729.db2.gz BIUTZOUTGLVHSN-UHFFFAOYSA-N 0 3 498.656 4.601 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725612 720359061 /nfs/dbraw/zinc/35/90/61/720359061.db2.gz OKGRWNQHSOGERA-DQEYMECFSA-N 0 3 455.537 4.693 20 0 JJADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730925 720433871 /nfs/dbraw/zinc/43/38/71/720433871.db2.gz JUBFXCZRUVUPTN-VXKWHMMOSA-N 0 3 468.630 4.880 20 0 JJADHN COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735949 720459391 /nfs/dbraw/zinc/45/93/91/720459391.db2.gz ZTZXVCDRDUOJOL-VXKWHMMOSA-N 0 3 457.603 4.753 20 0 JJADHN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838106 720738309 /nfs/dbraw/zinc/73/83/09/720738309.db2.gz SDMOTGQWDMMRCS-UHFFFAOYSA-N 0 3 467.351 4.730 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767427 721100217 /nfs/dbraw/zinc/10/02/17/721100217.db2.gz LSCFQPVYOZCCCR-RTBURBONSA-N 0 3 476.987 4.781 20 0 JJADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164762130 721153909 /nfs/dbraw/zinc/15/39/09/721153909.db2.gz CCATUTNQZIATPZ-LEWJYISDSA-N 0 3 489.023 4.651 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769073 721155022 /nfs/dbraw/zinc/15/50/22/721155022.db2.gz PHYMBTHHVFFANH-JWQCQUIFSA-N 0 3 453.590 4.506 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774417 721179594 /nfs/dbraw/zinc/17/95/94/721179594.db2.gz YZXVLQWLHGPQFB-XZOQPEGZSA-N 0 3 494.039 4.529 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763267 721217672 /nfs/dbraw/zinc/21/76/72/721217672.db2.gz FBKLSJTUVXMNJQ-VXKWHMMOSA-N 0 3 470.646 4.928 20 0 JJADHN FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906124 721696731 /nfs/dbraw/zinc/69/67/31/721696731.db2.gz LQOJYUVBRSIVHS-MUUNZHRXSA-N 0 3 489.614 4.773 20 0 JJADHN FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907376 721720132 /nfs/dbraw/zinc/72/01/32/721720132.db2.gz RGSSNWGNEGKOFP-QHCPKHFHSA-N 0 3 468.939 4.897 20 0 JJADHN Cc1ccc(-c2nc3c(ncnc3N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)o2)cc1 ZINC001164909767 721725520 /nfs/dbraw/zinc/72/55/20/721725520.db2.gz DMSVPDHVRZBXHP-VWLOTQADSA-N 0 3 476.531 4.726 20 0 JJADHN FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911244 721729000 /nfs/dbraw/zinc/72/90/00/721729000.db2.gz JJEWEJLXEZJNLB-HSZRJFAPSA-N 0 3 455.940 4.930 20 0 JJADHN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164963267 722058902 /nfs/dbraw/zinc/05/89/02/722058902.db2.gz UXSUYMRSEQYOAT-UHFFFAOYSA-N 0 3 469.001 4.516 20 0 JJADHN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973364 722109996 /nfs/dbraw/zinc/10/99/96/722109996.db2.gz HDGWZCVVLMOHAI-UZLBHIALSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973346 722110151 /nfs/dbraw/zinc/11/01/51/722110151.db2.gz HDGWZCVVLMOHAI-JXFKEZNVSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981484 722122546 /nfs/dbraw/zinc/12/25/46/722122546.db2.gz UFNUOLKORDNEOJ-OXQOHEQNSA-N 0 3 494.373 4.604 20 0 JJADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980451 722125941 /nfs/dbraw/zinc/12/59/41/722125941.db2.gz REWDLKSZGNYJJL-CUNXSJBXSA-N 0 3 483.591 4.867 20 0 JJADHN c1ccc(COc2ccc3nc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983208 722126195 /nfs/dbraw/zinc/12/61/95/722126195.db2.gz YMDBCYIVRGEEHH-LITSAYRRSA-N 0 3 480.612 4.936 20 0 JJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981177 722126575 /nfs/dbraw/zinc/12/65/75/722126575.db2.gz UCCNWHMXTWSPIS-PZJWPPBQSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975192 722130767 /nfs/dbraw/zinc/13/07/67/722130767.db2.gz FKCAVJHFHPOTAZ-SIKLNZKXSA-N 0 3 458.940 4.555 20 0 JJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164985047 722138998 /nfs/dbraw/zinc/13/89/98/722138998.db2.gz YXZZDVIVEQDSBA-NZQKXSOJSA-N 0 3 475.593 4.620 20 0 JJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973229 722141400 /nfs/dbraw/zinc/14/14/00/722141400.db2.gz BNVAKLATDQXLAJ-PZJWPPBQSA-N 0 3 477.659 4.851 20 0 JJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976258 722154058 /nfs/dbraw/zinc/15/40/58/722154058.db2.gz WJWJSARZHBIQEH-DYESRHJHSA-N 0 3 458.940 4.597 20 0 JJADHN CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973988 722155461 /nfs/dbraw/zinc/15/54/61/722155461.db2.gz NUYBPVHSNNGFMV-XUZZJYLKSA-N 0 3 480.012 4.607 20 0 JJADHN CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977186 722155984 /nfs/dbraw/zinc/15/59/84/722155984.db2.gz YEVPTYQZNMXSAA-QPPBQGQZSA-N 0 3 480.012 4.607 20 0 JJADHN CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977194 722156316 /nfs/dbraw/zinc/15/63/16/722156316.db2.gz YEVPTYQZNMXSAA-XUZZJYLKSA-N 0 3 480.012 4.607 20 0 JJADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971568 722159056 /nfs/dbraw/zinc/15/90/56/722159056.db2.gz BSTRDMCODGEIMK-AUSIDOKSSA-N 0 3 476.999 4.671 20 0 JJADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850854 1064261681 /nfs/dbraw/zinc/26/16/81/1064261681.db2.gz SAXUWBMZFTZMMJ-SQJMNOBHSA-N 0 3 450.966 4.745 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001359719893 1064267274 /nfs/dbraw/zinc/26/72/74/1064267274.db2.gz BBNUDQYZUAOBLB-NRFANRHFSA-N 0 3 456.654 4.625 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545862759 1064270663 /nfs/dbraw/zinc/27/06/63/1064270663.db2.gz RUUYRAXBJXBBBQ-ISKFKSNPSA-N 0 3 480.701 4.906 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545862760 1064270748 /nfs/dbraw/zinc/27/07/48/1064270748.db2.gz RUUYRAXBJXBBBQ-LADGPHEKSA-N 0 3 480.701 4.906 20 0 JJADHN CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001359745238 1064318183 /nfs/dbraw/zinc/31/81/83/1064318183.db2.gz DBBIUCNVBNRQFE-HSZRJFAPSA-N 0 3 496.744 4.663 20 0 JJADHN CC(C)[C@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359761421 1064371790 /nfs/dbraw/zinc/37/17/90/1064371790.db2.gz HFEUZBBQDXFXIS-SIKLNZKXSA-N 0 3 460.066 4.970 20 0 JJADHN CC(C)Cc1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001359804592 1064473341 /nfs/dbraw/zinc/47/33/41/1064473341.db2.gz CKNDKSZJAOUJJY-OAQYLSRUSA-N 0 3 456.635 4.759 20 0 JJADHN Cc1ccccc1COc1cccc(CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC001435061969 1064479902 /nfs/dbraw/zinc/47/99/02/1064479902.db2.gz BEFDDIAKWITISC-UHFFFAOYSA-N 0 3 452.545 4.985 20 0 JJADHN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)cc12 ZINC001435062972 1064481646 /nfs/dbraw/zinc/48/16/46/1064481646.db2.gz BGJOVRDCATURAP-UHFFFAOYSA-N 0 3 454.546 4.878 20 0 JJADHN O=C(COc1ccccc1Br)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001435065165 1064484253 /nfs/dbraw/zinc/48/42/53/1064484253.db2.gz BJPMEYHFBXXDJV-UHFFFAOYSA-N 0 3 451.792 4.606 20 0 JJADHN O=C(Cc1csc(CCC(F)(F)F)n1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001435065940 1064485975 /nfs/dbraw/zinc/48/59/75/1064485975.db2.gz DYYSCXDGAAYMEX-UHFFFAOYSA-N 0 3 459.965 4.959 20 0 JJADHN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CCc2ccccc2C1 ZINC001359815786 1064498161 /nfs/dbraw/zinc/49/81/61/1064498161.db2.gz VHBLJBRHOKBQSF-UHFFFAOYSA-N 0 3 453.675 4.709 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001435108742 1064518369 /nfs/dbraw/zinc/51/83/69/1064518369.db2.gz OCRIMXJXMVIRIY-QZTJIDSGSA-N 0 3 456.505 4.738 20 0 JJADHN O=C([C@H]1COc2ccc(F)cc2C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847716 1064534043 /nfs/dbraw/zinc/53/40/43/1064534043.db2.gz UBZKUGNAVWKUHQ-GOSISDBHSA-N 0 3 451.369 4.808 20 0 JJADHN CCOC(=O)c1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)[nH]c1C ZINC001359851029 1064537831 /nfs/dbraw/zinc/53/78/31/1064537831.db2.gz DOCREICTPOKULF-UHFFFAOYSA-N 0 3 452.382 4.545 20 0 JJADHN C[C@H](Sc1ccc(Br)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001359852390 1064539690 /nfs/dbraw/zinc/53/96/90/1064539690.db2.gz YMQCJDYCHQBCLA-AWEZNQCLSA-N 0 3 457.384 4.798 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001435208522 1064593248 /nfs/dbraw/zinc/59/32/48/1064593248.db2.gz WATBLKXJRJBSRH-QHCPKHFHSA-N 0 3 458.650 4.912 20 0 JJADHN CN1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c2cc(Cl)ccc21 ZINC001435300486 1064675925 /nfs/dbraw/zinc/67/59/25/1064675925.db2.gz FIHPCSNREFLUSB-QFIPXVFZSA-N 0 3 451.920 4.968 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1ccnc(OCC(F)(F)F)c1)Cc1ccccc1 ZINC001435325611 1064697955 /nfs/dbraw/zinc/69/79/55/1064697955.db2.gz RAKFGNCNGXPZGU-UHFFFAOYSA-N 0 3 457.496 4.797 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@H](c2ccsc2)N(C)C)cc1 ZINC001359954389 1064719599 /nfs/dbraw/zinc/71/95/99/1064719599.db2.gz GFYNWQBTDZYFEC-HSZRJFAPSA-N 0 3 469.655 4.571 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2ccccn2)cc1 ZINC001359955141 1064723316 /nfs/dbraw/zinc/72/33/16/1064723316.db2.gz RBSKVNQWPOOSMT-UHFFFAOYSA-N 0 3 476.669 4.928 20 0 JJADHN CN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001435519553 1064802773 /nfs/dbraw/zinc/80/27/73/1064802773.db2.gz SCFKVIHUKQOSRZ-ZEQRLZLVSA-N 0 3 451.611 4.766 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001360014476 1064813236 /nfs/dbraw/zinc/81/32/36/1064813236.db2.gz GISVTNYORKUABW-SFHLNBCPSA-N 0 3 464.029 4.988 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccc(Cl)cc2)CC1 ZINC001360017497 1064817904 /nfs/dbraw/zinc/81/79/04/1064817904.db2.gz GJSBCCJQQQVYLN-UHFFFAOYSA-N 0 3 491.865 4.710 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCOC2CCCC2)CC1 ZINC001360018217 1064819591 /nfs/dbraw/zinc/81/95/91/1064819591.db2.gz NMBHNXXUEPAPLA-UHFFFAOYSA-N 0 3 464.029 4.865 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCc2nccs2)CC1 ZINC001360018487 1064820189 /nfs/dbraw/zinc/82/01/89/1064820189.db2.gz QOIHWSHQIRSHHR-UHFFFAOYSA-N 0 3 465.454 4.729 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CCC(=O)NC(C)C)CC1 ZINC001360019020 1064822034 /nfs/dbraw/zinc/82/20/34/1064822034.db2.gz ZYCTWIDGPDPVLQ-UHFFFAOYSA-N 0 3 498.672 4.505 20 0 JJADHN Cc1cc(Br)cc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c1 ZINC001360028774 1064830063 /nfs/dbraw/zinc/83/00/63/1064830063.db2.gz VJYKIRGAKFQDRW-UHFFFAOYSA-N 0 3 454.206 4.724 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001360028896 1064831155 /nfs/dbraw/zinc/83/11/55/1064831155.db2.gz ZULCAYAECZEPOY-UHFFFAOYSA-N 0 3 459.553 4.679 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360030156 1064831858 /nfs/dbraw/zinc/83/18/58/1064831858.db2.gz DYJJVVUPAYLPPQ-IBGZPJMESA-N 0 3 473.637 4.865 20 0 JJADHN CC(C)CN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)CC1 ZINC001360034308 1064838294 /nfs/dbraw/zinc/83/82/94/1064838294.db2.gz SPWRHGSBKYMRAT-QHCPKHFHSA-N 0 3 464.079 4.571 20 0 JJADHN CC(C)(C)C(=O)NCc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001360037754 1064848065 /nfs/dbraw/zinc/84/80/65/1064848065.db2.gz STNWVRAEJARHTA-UHFFFAOYSA-N 0 3 456.030 4.741 20 0 JJADHN CC(C)COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001360050444 1064875304 /nfs/dbraw/zinc/87/53/04/1064875304.db2.gz SPHMCPMVGUJFLM-HSZRJFAPSA-N 0 3 455.647 4.523 20 0 JJADHN CCCO[C@@H](C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616627 1064879285 /nfs/dbraw/zinc/87/92/85/1064879285.db2.gz FRLWMHGSOMUIEN-WIOPSUGQSA-N 0 3 450.558 4.884 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N2CCc3ccccc3C2)C1 ZINC001360062086 1064901873 /nfs/dbraw/zinc/90/18/73/1064901873.db2.gz FVCUKGMCZBPPDF-DEOSSOPVSA-N 0 3 467.702 4.955 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)C1 ZINC001360067350 1064912422 /nfs/dbraw/zinc/91/24/22/1064912422.db2.gz VVVFYSVANPDKIP-FQEVSTJZSA-N 0 3 496.483 4.901 20 0 JJADHN CCN(CC)Cc1ccc(C(=O)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)o1 ZINC001360078684 1064932235 /nfs/dbraw/zinc/93/22/35/1064932235.db2.gz CWBWQYTVLFFMNK-UHFFFAOYSA-N 0 3 454.954 4.967 20 0 JJADHN CC(C)CSCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360079218 1064933134 /nfs/dbraw/zinc/93/31/34/1064933134.db2.gz DYWFLYPJZLTAFW-NHCUHLMSSA-N 0 3 465.752 4.897 20 0 JJADHN O=C(Oc1cc(Cl)cnc1Br)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435712985 1064951267 /nfs/dbraw/zinc/95/12/67/1064951267.db2.gz IHMCTUABQRDVTR-HZPDHXFCSA-N 0 3 478.799 4.775 20 0 JJADHN Cc1csc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1I ZINC001435993165 1065097698 /nfs/dbraw/zinc/09/76/98/1065097698.db2.gz BIDXHXNNPQTZKY-INIZCTEOSA-N 0 3 456.393 4.548 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995114 1065098974 /nfs/dbraw/zinc/09/89/74/1065098974.db2.gz OBSKZQRGNMYMKC-QHCPKHFHSA-N 0 3 452.549 4.526 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@H]3CC(C)(C)Oc4ccccc43)c(OCC)c2)CC1 ZINC001436101087 1065180652 /nfs/dbraw/zinc/18/06/52/1065180652.db2.gz HVDHUMGZDLEQSI-QFIPXVFZSA-N 0 3 451.611 4.901 20 0 JJADHN CC(C)OCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001360376415 1065234620 /nfs/dbraw/zinc/23/46/20/1065234620.db2.gz CPIOOEBLIPUDQC-QHCPKHFHSA-N 0 3 483.701 4.606 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)c1c(C)cc(=O)n(-c2ccccc2)c1C)c1ccc(Cl)cc1 ZINC001436197206 1065244862 /nfs/dbraw/zinc/24/48/62/1065244862.db2.gz DZCMTDYKJJGVHJ-QHCPKHFHSA-N 0 3 451.998 4.921 20 0 JJADHN Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436233835 1065270398 /nfs/dbraw/zinc/27/03/98/1065270398.db2.gz GDOXLPKIYJZSKT-SJORKVTESA-N 0 3 454.796 4.564 20 0 JJADHN COc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c1 ZINC001436255750 1065276150 /nfs/dbraw/zinc/27/61/50/1065276150.db2.gz UVLKCRWAFJLLSF-UHFFFAOYSA-N 0 3 453.764 4.836 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCCCOc2ccc(Br)cc2)C1 ZINC001436279434 1065285333 /nfs/dbraw/zinc/28/53/33/1065285333.db2.gz MBCNRNBSORHJRH-FQEVSTJZSA-N 0 3 459.428 4.979 20 0 JJADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C ZINC001360433430 1065311859 /nfs/dbraw/zinc/31/18/59/1065311859.db2.gz RDKSKZNPHKDPGH-QFUCXCTJSA-N 0 3 457.619 4.873 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429360 1065317321 /nfs/dbraw/zinc/31/73/21/1065317321.db2.gz DUJLRBDFJVTTKE-AHKZPQOWSA-N 0 3 450.623 4.660 20 0 JJADHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)N(C)C ZINC001360448450 1065339478 /nfs/dbraw/zinc/33/94/78/1065339478.db2.gz RDIYZONPWIJSRP-IRLDBZIGSA-N 0 3 496.725 4.887 20 0 JJADHN CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001436632424 1065408907 /nfs/dbraw/zinc/40/89/07/1065408907.db2.gz YRGYKGJHFMRZCO-WUFINQPMSA-N 0 3 474.576 4.972 20 0 JJADHN C[C@@H](CN(C)c1nnc(-c2ccccc2Br)n1CCN1CC=CCC1)c1nccs1 ZINC001360520507 1065493031 /nfs/dbraw/zinc/49/30/31/1065493031.db2.gz HZPPCPRNPWGINJ-KRWDZBQOSA-N 0 3 487.471 4.666 20 0 JJADHN C[C@H](CN(C)c1nnc(-c2ccccc2Br)n1CCN1CC=CCC1)c1nccs1 ZINC001360520508 1065493079 /nfs/dbraw/zinc/49/30/79/1065493079.db2.gz HZPPCPRNPWGINJ-QGZVFWFLSA-N 0 3 487.471 4.666 20 0 JJADHN C[C@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360526266 1065504446 /nfs/dbraw/zinc/50/44/46/1065504446.db2.gz INAJDJHIFIPVRQ-NFBKMPQASA-N 0 3 460.651 4.868 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001437278212 1065528931 /nfs/dbraw/zinc/52/89/31/1065528931.db2.gz OXTCZSYWZQOFIJ-VFNWGFHPSA-N 0 3 451.792 4.651 20 0 JJADHN CCCCCCOc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001437368944 1065543590 /nfs/dbraw/zinc/54/35/90/1065543590.db2.gz BPXFWGJYGOKSGJ-SVBPBHIXSA-N 0 3 450.623 4.690 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCCC3)cc2)CC1 ZINC001437385791 1065546028 /nfs/dbraw/zinc/54/60/28/1065546028.db2.gz PMXGGMCEGCMCLR-UHFFFAOYSA-N 0 3 456.030 4.807 20 0 JJADHN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001438322659 1065709368 /nfs/dbraw/zinc/70/93/68/1065709368.db2.gz AQWGCXWDNISVCK-SKBVVQJISA-N 0 3 462.565 4.776 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC001438342765 1065712901 /nfs/dbraw/zinc/71/29/01/1065712901.db2.gz VFJVUSAWFOHQHL-WIOPSUGQSA-N 0 3 468.569 4.850 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC001360658705 1065727551 /nfs/dbraw/zinc/72/75/51/1065727551.db2.gz OAQRNNLEMHBARL-RUJXFNLJSA-N 0 3 451.514 4.585 20 0 JJADHN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001360658755 1065727689 /nfs/dbraw/zinc/72/76/89/1065727689.db2.gz PEHVVUGLJLIJSY-FYYLOGMGSA-N 0 3 458.002 4.548 20 0 JJADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC001360682261 1065735174 /nfs/dbraw/zinc/73/51/74/1065735174.db2.gz QZMPXRWPQDJNRS-LJQANCHMSA-N 0 3 455.484 4.633 20 0 JJADHN C[C@H](O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001360731499 1065759272 /nfs/dbraw/zinc/75/92/72/1065759272.db2.gz DWQZAEKCQOAUAG-FQEVSTJZSA-N 0 3 467.683 4.590 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCCS1 ZINC001360748622 1065790301 /nfs/dbraw/zinc/79/03/01/1065790301.db2.gz CPZMKMGPKCKVMF-WIYYLYMNSA-N 0 3 461.651 4.763 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCC(F)(F)F ZINC001360749091 1065791602 /nfs/dbraw/zinc/79/16/02/1065791602.db2.gz LLHCYJKGSFHQRA-INIZCTEOSA-N 0 3 457.516 4.820 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)cc1C(F)(F)F ZINC001439222271 1065800837 /nfs/dbraw/zinc/80/08/37/1065800837.db2.gz DJFOJKBQOOHMOU-UHFFFAOYSA-N 0 3 458.271 4.907 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN1CCCCC1 ZINC001360756277 1065814302 /nfs/dbraw/zinc/81/43/02/1065814302.db2.gz RICJAYWJZJTCDJ-IBGZPJMESA-N 0 3 476.065 4.951 20 0 JJADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601970 1065846694 /nfs/dbraw/zinc/84/66/94/1065846694.db2.gz WHVBABQOCUBHMY-VXKWHMMOSA-N 0 3 453.384 4.524 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN1CCCCC1 ZINC001360773273 1065871056 /nfs/dbraw/zinc/87/10/56/1065871056.db2.gz KNTHBSNPHHXGRU-OALUTQOASA-N 0 3 499.553 4.591 20 0 JJADHN O=C(NCc1ccc(Br)cc1F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001439944100 1065895373 /nfs/dbraw/zinc/89/53/73/1065895373.db2.gz VCQLHRQUGAVCNM-LJQANCHMSA-N 0 3 459.281 4.659 20 0 JJADHN CC(=O)N(Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1)C1CC1 ZINC001360799533 1065910576 /nfs/dbraw/zinc/91/05/76/1065910576.db2.gz GJRCUJKWLWIMOL-DEOSSOPVSA-N 0 3 459.512 4.591 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001360805275 1065916808 /nfs/dbraw/zinc/91/68/08/1065916808.db2.gz NAAGJJSBRIWBOR-MRXNPFEDSA-N 0 3 463.468 4.783 20 0 JJADHN CC(C)C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)N(C)C(=O)OC(C)(C)C ZINC001440382214 1065935460 /nfs/dbraw/zinc/93/54/60/1065935460.db2.gz CZCRIAMTIAYYFC-PMACEKPBSA-N 0 3 451.677 4.919 20 0 JJADHN CCOC(=O)Cc1c2ccccc2[nH]c1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001440385039 1065935861 /nfs/dbraw/zinc/93/58/61/1065935861.db2.gz GLRZZIPUSOAXJG-OAQYLSRUSA-N 0 3 453.608 4.538 20 0 JJADHN Cc1sc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(CC3CC3)CC2)c1Br ZINC001360850426 1065960559 /nfs/dbraw/zinc/96/05/59/1065960559.db2.gz DGUUARNDOGQRPL-UHFFFAOYSA-N 0 3 480.520 4.888 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)c1cccc(OC)c1 ZINC001440872646 1065986897 /nfs/dbraw/zinc/98/68/97/1065986897.db2.gz CYUPVKAVDSAOOD-XMMPIXPASA-N 0 3 452.574 4.956 20 0 JJADHN C[C@H](CN1CCCCC1)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001441181984 1066012044 /nfs/dbraw/zinc/01/20/44/1066012044.db2.gz YAEZMQKBAGVOCN-QGZVFWFLSA-N 0 3 458.628 4.685 20 0 JJADHN CC[C@H](CNC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)N1CCc2ccccc2C1 ZINC001441234287 1066017411 /nfs/dbraw/zinc/01/74/11/1066017411.db2.gz DAFGNFSPUABLJI-QSEAXJEQSA-N 0 3 455.643 4.509 20 0 JJADHN CCN1CCN(Cc2ccccc2CNC(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 ZINC001441304750 1066023767 /nfs/dbraw/zinc/02/37/67/1066023767.db2.gz CVMWYEUJHFEINU-UHFFFAOYSA-N 0 3 459.606 4.534 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)cc2)CC1 ZINC001441308449 1066024247 /nfs/dbraw/zinc/02/42/47/1066024247.db2.gz KDBJHNKMHCVWHD-UHFFFAOYSA-N 0 3 452.002 4.532 20 0 JJADHN Cn1ccc2ccc(C(=O)NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC001441317725 1066026702 /nfs/dbraw/zinc/02/67/02/1066026702.db2.gz GSIMVEFYFYLDDG-UHFFFAOYSA-N 0 3 458.528 4.529 20 0 JJADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cc(SC)c(Cl)cc2Cl)CC1 ZINC001441317551 1066026795 /nfs/dbraw/zinc/02/67/95/1066026795.db2.gz SBVVCBFKYIBYOI-UHFFFAOYSA-N 0 3 452.451 4.783 20 0 JJADHN C[C@@]1(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCc2ccccc21 ZINC001441319141 1066027354 /nfs/dbraw/zinc/02/73/54/1066027354.db2.gz ICLFVEGXGNRGCL-RUZDIDTESA-N 0 3 459.556 4.628 20 0 JJADHN O=C(/C=C\CCc1ccccc1)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001441323753 1066028406 /nfs/dbraw/zinc/02/84/06/1066028406.db2.gz OVFWSSNALWMVLO-RZNTYIFUSA-N 0 3 459.556 4.913 20 0 JJADHN CCc1cc2c(CC(=O)NCCCCN3CCN(Cc4ccccc4)CC3)csc2s1 ZINC001441689110 1066061778 /nfs/dbraw/zinc/06/17/78/1066061778.db2.gz FKFSIVQXKZGRGP-UHFFFAOYSA-N 0 3 455.693 4.782 20 0 JJADHN C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cc2c(cc1Br)OCCO2 ZINC001441812649 1066072032 /nfs/dbraw/zinc/07/20/32/1066072032.db2.gz CVHZOPKKYLWGOC-INIZCTEOSA-N 0 3 459.384 4.697 20 0 JJADHN Cc1ncsc1CCn1c(CCc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360923730 1066079889 /nfs/dbraw/zinc/07/98/89/1066079889.db2.gz APJHKGDTDOJJAS-UHFFFAOYSA-N 0 3 466.699 4.629 20 0 JJADHN CN(CCNC(=O)c1cccc(OCc2ccccc2Br)c1)Cc1ccccc1 ZINC001442212631 1066103113 /nfs/dbraw/zinc/10/31/13/1066103113.db2.gz VZSZSIRAUVZQEW-UHFFFAOYSA-N 0 3 453.380 4.890 20 0 JJADHN CCc1ccccc1-n1cc(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)nn1 ZINC001442302134 1066114057 /nfs/dbraw/zinc/11/40/57/1066114057.db2.gz AUKHVERQDNFEGZ-QFIPXVFZSA-N 0 3 459.516 4.661 20 0 JJADHN Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)cc1 ZINC001442591440 1066141303 /nfs/dbraw/zinc/14/13/03/1066141303.db2.gz KFGOHTNEMZIZKP-URXFXBBRSA-N 0 3 457.659 4.921 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442720782 1066155330 /nfs/dbraw/zinc/15/53/30/1066155330.db2.gz KACMHDDWGUCVRF-QHCPKHFHSA-N 0 3 457.590 4.762 20 0 JJADHN CCOc1ccc(-c2nc(C)c(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)s2)cc1 ZINC001442730450 1066156046 /nfs/dbraw/zinc/15/60/46/1066156046.db2.gz UTKXMTVJEGPZHB-UHFFFAOYSA-N 0 3 459.562 4.999 20 0 JJADHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996850 1066175502 /nfs/dbraw/zinc/17/55/02/1066175502.db2.gz VDEKASGRTOSNGT-MGPUTAFESA-N 0 3 459.413 4.509 20 0 JJADHN C[C@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837702 1066230195 /nfs/dbraw/zinc/23/01/95/1066230195.db2.gz GKJDUFTZTQDIGX-RUZDIDTESA-N 0 3 457.977 4.529 20 0 JJADHN CCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442869054 1066234778 /nfs/dbraw/zinc/23/47/78/1066234778.db2.gz JFQLKOOCVFMOFW-REWPJTCUSA-N 0 3 452.517 4.631 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361039637 1066261616 /nfs/dbraw/zinc/26/16/16/1066261616.db2.gz OULJSPNBFWSPBV-CTNGQTDRSA-N 0 3 471.696 4.780 20 0 JJADHN CC(C)(C)OC(=O)NCCc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001443161317 1066275852 /nfs/dbraw/zinc/27/58/52/1066275852.db2.gz JIKJWHJPAJFKLI-DEOSSOPVSA-N 0 3 451.611 4.711 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396009 1066277244 /nfs/dbraw/zinc/27/72/44/1066277244.db2.gz BGETZDSLOJZXBZ-BEFAXECRSA-N 0 3 454.924 4.583 20 0 JJADHN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399503 1066278274 /nfs/dbraw/zinc/27/82/74/1066278274.db2.gz FWUGBIXKESPMOR-YZUZCNPQSA-N 0 3 457.659 4.687 20 0 JJADHN CCOc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)ccc1OCc1cccnc1 ZINC001454400438 1066278489 /nfs/dbraw/zinc/27/84/89/1066278489.db2.gz LCQOKTWVANUIOQ-OFVILXPXSA-N 0 3 459.590 4.700 20 0 JJADHN O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001454480621 1066290661 /nfs/dbraw/zinc/29/06/61/1066290661.db2.gz QGRWAXUOKHIGPU-UXHICEINSA-N 0 3 457.348 4.691 20 0 JJADHN CN(C)Cc1cccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c1 ZINC001443476534 1066315924 /nfs/dbraw/zinc/31/59/24/1066315924.db2.gz CQQAKCQBVDBJMJ-UHFFFAOYSA-N 0 3 456.359 4.887 20 0 JJADHN CCc1c(NC(=O)[C@@H](C)N2CCc3ccccc3C2)[nH]nc1-c1ccc(Br)cc1 ZINC001443493744 1066318436 /nfs/dbraw/zinc/31/84/36/1066318436.db2.gz BCISZUCBIFNJFZ-OAHLLOKOSA-N 0 3 453.384 4.787 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCN1CC=CCC1 ZINC001361087785 1066327859 /nfs/dbraw/zinc/32/78/59/1066327859.db2.gz CHQPOJBKYJOARP-NHCUHLMSSA-N 0 3 490.117 4.844 20 0 JJADHN CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCN1Cc1ccccc1 ZINC001443551669 1066329102 /nfs/dbraw/zinc/32/91/02/1066329102.db2.gz OOFSKTGIDLKXME-UHFFFAOYSA-N 0 3 453.384 4.576 20 0 JJADHN Cc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC001443942177 1066387026 /nfs/dbraw/zinc/38/70/26/1066387026.db2.gz WNPSQQJLOIOCPX-OAQYLSRUSA-N 0 3 458.606 4.792 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)N(C)C)cc1 ZINC001361139340 1066414357 /nfs/dbraw/zinc/41/43/57/1066414357.db2.gz IDDLAJMSOKHIIU-UPVQGACJSA-N 0 3 496.700 4.993 20 0 JJADHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)N(C)C)cc1 ZINC001361141009 1066419238 /nfs/dbraw/zinc/41/92/38/1066419238.db2.gz JWJFVHAJFUMVCY-YADHBBJMSA-N 0 3 494.709 4.753 20 0 JJADHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](C)CC2)N(C)C)cc1 ZINC001361140942 1066419273 /nfs/dbraw/zinc/41/92/73/1066419273.db2.gz JEFMSJUELQLWCD-UGKGYDQZSA-N 0 3 480.682 4.507 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)N(C)C)cc1 ZINC001361141006 1066419361 /nfs/dbraw/zinc/41/93/61/1066419361.db2.gz JWJFVHAJFUMVCY-FCHUYYIVSA-N 0 3 494.709 4.753 20 0 JJADHN CC(C)C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001444196282 1066428442 /nfs/dbraw/zinc/42/84/42/1066428442.db2.gz JTHFBMQZCMYCKQ-XMMPIXPASA-N 0 3 456.030 4.612 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001444258841 1066436831 /nfs/dbraw/zinc/43/68/31/1066436831.db2.gz KLDWQYXKSQOTLN-KIHHCIJBSA-N 0 3 455.643 4.583 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001444258852 1066436882 /nfs/dbraw/zinc/43/68/82/1066436882.db2.gz KLDWQYXKSQOTLN-ZJZGAYNASA-N 0 3 455.643 4.583 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455956994 1066460701 /nfs/dbraw/zinc/46/07/01/1066460701.db2.gz DIBFVMRAOSSGNO-XMMPIXPASA-N 0 3 451.611 4.767 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)CCOc2ccc(Cl)cc2Br)c1 ZINC001455964537 1066461731 /nfs/dbraw/zinc/46/17/31/1066461731.db2.gz RSXDZZXPHNEUHL-UHFFFAOYSA-N 0 3 453.808 4.770 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001361162141 1066468979 /nfs/dbraw/zinc/46/89/79/1066468979.db2.gz JCGREPUGYFVUAB-UHFFFAOYSA-N 0 3 480.632 4.615 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506160 1066469526 /nfs/dbraw/zinc/46/95/26/1066469526.db2.gz TWVIHXGTXXDUAA-HSZRJFAPSA-N 0 3 455.643 4.823 20 0 JJADHN CC(C)c1nc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC001456005896 1066471042 /nfs/dbraw/zinc/47/10/42/1066471042.db2.gz FQPZFQLYAWXDLN-MRXNPFEDSA-N 0 3 458.393 4.831 20 0 JJADHN Cc1ccc([C@@H]2C[C@H]2C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cc1C ZINC001444649799 1066488951 /nfs/dbraw/zinc/48/89/51/1066488951.db2.gz MGUGGLWHLNCLFZ-BJKOFHAPSA-N 0 3 471.439 4.829 20 0 JJADHN COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660390 1066489699 /nfs/dbraw/zinc/48/96/99/1066489699.db2.gz DXVPDAGYRACGQO-QPPBQGQZSA-N 0 3 454.586 4.756 20 0 JJADHN CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001546078911 1066496074 /nfs/dbraw/zinc/49/60/74/1066496074.db2.gz BOFJBTIIFDNRCN-KRHPZPPWSA-N 0 3 496.700 4.978 20 0 JJADHN CCc1nc2ccc(Cl)cn2c1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001456055955 1066496710 /nfs/dbraw/zinc/49/67/10/1066496710.db2.gz NNMPKHOCBMSAMV-UHFFFAOYSA-N 0 3 452.908 4.773 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC001456059170 1066497878 /nfs/dbraw/zinc/49/78/78/1066497878.db2.gz XTKLJNWWCYNPHP-UHFFFAOYSA-N 0 3 456.537 4.807 20 0 JJADHN Cc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361181457 1066503445 /nfs/dbraw/zinc/50/34/45/1066503445.db2.gz XDUYUGLNJRBERO-HXUWFJFHSA-N 0 3 465.627 4.761 20 0 JJADHN CC[C@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC001444849574 1066512141 /nfs/dbraw/zinc/51/21/41/1066512141.db2.gz RZFCSYOCXOQNFM-LJQANCHMSA-N 0 3 453.384 4.748 20 0 JJADHN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001361192137 1066519227 /nfs/dbraw/zinc/51/92/27/1066519227.db2.gz HZWFIICPBAUOLH-ILBGXUMGSA-N 0 3 459.556 4.737 20 0 JJADHN CC(C)[C@@H](CCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935317 1066519513 /nfs/dbraw/zinc/51/95/13/1066519513.db2.gz MXHMDDDSSFMORI-XUZZJYLKSA-N 0 3 459.675 4.727 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361198013 1066526426 /nfs/dbraw/zinc/52/64/26/1066526426.db2.gz FNMJBLYTBMACEB-KNQAVFIVSA-N 0 3 498.697 4.588 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)o1 ZINC001361209405 1066542769 /nfs/dbraw/zinc/54/27/69/1066542769.db2.gz WKAVXOUOEBTOPS-FCHUYYIVSA-N 0 3 455.578 4.540 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC001445286111 1066553278 /nfs/dbraw/zinc/55/32/78/1066553278.db2.gz NFSFGSNCYLUSBQ-QHCPKHFHSA-N 0 3 456.428 4.715 20 0 JJADHN Cc1ccc(-c2nnc(N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)cc1Br ZINC001361218638 1066555173 /nfs/dbraw/zinc/55/51/73/1066555173.db2.gz PRTNGUHHISYAPD-IBGZPJMESA-N 0 3 460.445 4.981 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccccc2OCC(C)C)o1 ZINC001361220866 1066559124 /nfs/dbraw/zinc/55/91/24/1066559124.db2.gz HJLAPGDASLZBEJ-UHFFFAOYSA-N 0 3 451.615 4.850 20 0 JJADHN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001456305869 1066560204 /nfs/dbraw/zinc/56/02/04/1066560204.db2.gz QDZJUPDZIVCBCA-QFIPXVFZSA-N 0 3 452.664 4.913 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCCOc2ccc(F)cc2)o1 ZINC001361224447 1066563009 /nfs/dbraw/zinc/56/30/09/1066563009.db2.gz USJJUCSZFOEKGE-UHFFFAOYSA-N 0 3 455.578 4.623 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)o1 ZINC001361224475 1066563453 /nfs/dbraw/zinc/56/34/53/1066563453.db2.gz VPRYNFVLTKBJLV-IFMALSPDSA-N 0 3 457.663 4.854 20 0 JJADHN Cc1ccc(-c2nnc(N3CCS[C@H](C(C)C)C3)n2CCN2CC=CCC2)cc1Br ZINC001361231785 1066571814 /nfs/dbraw/zinc/57/18/14/1066571814.db2.gz USZRPTMTAFCISZ-NRFANRHFSA-N 0 3 490.515 4.856 20 0 JJADHN Cc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(C)n1 ZINC001445524090 1066581554 /nfs/dbraw/zinc/58/15/54/1066581554.db2.gz MPADNQNNGQNDSS-UHFFFAOYSA-N 0 3 452.599 4.587 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3c3ccccc3Br)CC2)c1 ZINC001445596736 1066593330 /nfs/dbraw/zinc/59/33/30/1066593330.db2.gz BFATVECNEIKNOU-HSZRJFAPSA-N 0 3 456.428 4.633 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)s1 ZINC001361251409 1066598720 /nfs/dbraw/zinc/59/87/20/1066598720.db2.gz QUJLMLUYJFJLQD-QFIPXVFZSA-N 0 3 450.587 4.788 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)s1 ZINC001361251408 1066598795 /nfs/dbraw/zinc/59/87/95/1066598795.db2.gz QUJLMLUYJFJLQD-JOCHJYFZSA-N 0 3 450.587 4.788 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@H]1CCCN(C)C1 ZINC001456501690 1066603080 /nfs/dbraw/zinc/60/30/80/1066603080.db2.gz WIMRKJCGRYPBSL-NRFANRHFSA-N 0 3 459.512 4.542 20 0 JJADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778289 1066615987 /nfs/dbraw/zinc/61/59/87/1066615987.db2.gz CLBRMPQIIOBSJH-PXAZEXFGSA-N 0 3 450.764 4.502 20 0 JJADHN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CN1Cc1ccccc1 ZINC001445784976 1066617481 /nfs/dbraw/zinc/61/74/81/1066617481.db2.gz GONWHNAKJPQGOI-XJKSGUPXSA-N 0 3 457.290 4.741 20 0 JJADHN C[C@@]1(NC(=O)c2ncc(Br)s2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456548322 1066622603 /nfs/dbraw/zinc/62/26/03/1066622603.db2.gz MGSPIGGFLBCNQW-PGRDOPGGSA-N 0 3 456.409 4.694 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1 ZINC001446351730 1066695050 /nfs/dbraw/zinc/69/50/50/1066695050.db2.gz LINMEZRUNJLXRL-HSZRJFAPSA-N 0 3 458.002 4.900 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)C1 ZINC001446827113 1066745612 /nfs/dbraw/zinc/74/56/12/1066745612.db2.gz ZNXBFEPUIWKIAU-BJKOFHAPSA-N 0 3 477.649 4.748 20 0 JJADHN C[C@@H](Cc1cnc2ccccc2n1)C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001457038531 1066750665 /nfs/dbraw/zinc/75/06/65/1066750665.db2.gz NCCFDZTXBUBILC-QHCPKHFHSA-N 0 3 452.602 4.969 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647118 1066750898 /nfs/dbraw/zinc/75/08/98/1066750898.db2.gz XTADVQUHAMACLO-FCHUYYIVSA-N 0 3 457.619 4.968 20 0 JJADHN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)c1 ZINC001492648474 1066754587 /nfs/dbraw/zinc/75/45/87/1066754587.db2.gz XOQFTJLSKWTQEZ-NRFANRHFSA-N 0 3 494.690 4.579 20 0 JJADHN CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990776 1066757675 /nfs/dbraw/zinc/75/76/75/1066757675.db2.gz YFNOPCORUYCSGB-GMAHTHKFSA-N 0 3 487.664 4.727 20 0 JJADHN Cc1nc(C)c(CCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492654740 1066764821 /nfs/dbraw/zinc/76/48/21/1066764821.db2.gz AQTUAOFXQNXCAZ-UHFFFAOYSA-N 0 3 459.063 4.835 20 0 JJADHN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001492665914 1066788453 /nfs/dbraw/zinc/78/84/53/1066788453.db2.gz CGXOQXHFKWAMEJ-HXUWFJFHSA-N 0 3 488.633 4.913 20 0 JJADHN Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001492668167 1066795433 /nfs/dbraw/zinc/79/54/33/1066795433.db2.gz AEKZAKOQRGRGJJ-OAQYLSRUSA-N 0 3 484.670 4.816 20 0 JJADHN CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001447361483 1066798833 /nfs/dbraw/zinc/79/88/33/1066798833.db2.gz RWGIWICHTRAQCZ-IXCJQBJRSA-N 0 3 458.602 4.812 20 0 JJADHN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671993 1066804011 /nfs/dbraw/zinc/80/40/11/1066804011.db2.gz KJLUKRLQEQQPFW-UGKGYDQZSA-N 0 3 470.662 4.948 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC[C@H](C(C)C)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001492676468 1066813657 /nfs/dbraw/zinc/81/36/57/1066813657.db2.gz GKKXESXAOQVXOD-NRFANRHFSA-N 0 3 470.662 4.777 20 0 JJADHN CC[C@H]1CN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CCN1Cc1ccccc1 ZINC001447499928 1066816005 /nfs/dbraw/zinc/81/60/05/1066816005.db2.gz OXKUHSAGVRKNKT-IBGZPJMESA-N 0 3 458.484 4.712 20 0 JJADHN Cc1ncc(Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492700919 1066857338 /nfs/dbraw/zinc/85/73/38/1066857338.db2.gz TZYYMQBHPFLQHM-UHFFFAOYSA-N 0 3 489.487 4.750 20 0 JJADHN COc1ccc([C@H](NC(C)C)C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1 ZINC001457552894 1066859362 /nfs/dbraw/zinc/85/93/62/1066859362.db2.gz ACMILXKHRZRAGP-NRFANRHFSA-N 0 3 452.517 4.951 20 0 JJADHN COc1ccc([C@H](NC(C)C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630609 1066886052 /nfs/dbraw/zinc/88/60/52/1066886052.db2.gz QNUCTQPGAQNHKD-SFTDATJTSA-N 0 3 455.357 4.780 20 0 JJADHN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)N1CCCCCC1 ZINC001448295985 1066916486 /nfs/dbraw/zinc/91/64/86/1066916486.db2.gz MZHYRKOJOVXRJM-WIYYLYMNSA-N 0 3 450.023 4.725 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001492744994 1066920538 /nfs/dbraw/zinc/92/05/38/1066920538.db2.gz DOCVTVJEGIQXLF-QFIPXVFZSA-N 0 3 489.590 4.611 20 0 JJADHN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC001448375459 1066920737 /nfs/dbraw/zinc/92/07/37/1066920737.db2.gz SLSQWTBENRERIM-UHFFFAOYSA-N 0 3 453.414 4.528 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001448399287 1066923168 /nfs/dbraw/zinc/92/31/68/1066923168.db2.gz IDJUFAWJXAXXPY-RUZDIDTESA-N 0 3 453.030 4.862 20 0 JJADHN CCc1c(C(=O)NCCNC(c2ccccc2)c2ccccc2)cnn1-c1ccccc1OC ZINC001458035604 1066959150 /nfs/dbraw/zinc/95/91/50/1066959150.db2.gz OMDGKVDULFVQOI-UHFFFAOYSA-N 0 3 454.574 4.552 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC001458093038 1066972771 /nfs/dbraw/zinc/97/27/71/1066972771.db2.gz ILZSSWQLVITOCG-IBGZPJMESA-N 0 3 459.928 4.726 20 0 JJADHN COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC001458096323 1066974155 /nfs/dbraw/zinc/97/41/55/1066974155.db2.gz YIXGQFHRELDZKG-IBGZPJMESA-N 0 3 453.612 4.537 20 0 JJADHN CN(C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062391 1066980706 /nfs/dbraw/zinc/98/07/06/1066980706.db2.gz OINATOMVCCQRLW-PTMWEUFISA-N 0 3 457.618 4.671 20 0 JJADHN CC[C@H](c1nnc(N(C)Cc2ccsc2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545724659 1066981170 /nfs/dbraw/zinc/98/11/70/1066981170.db2.gz VEJQKIUFKGJKPM-QPPBQGQZSA-N 0 3 466.699 4.544 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732042 1066993218 /nfs/dbraw/zinc/99/32/18/1066993218.db2.gz WQFHMWPQQPNIFT-VVSUKSJXSA-N 0 3 492.634 4.623 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN1CCC[C@@H]1C)c1ccccc1 ZINC001545734396 1066997242 /nfs/dbraw/zinc/99/72/42/1066997242.db2.gz RTWGCYRGQORERB-GHTZIAJQSA-N 0 3 477.575 4.652 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@@H](CC(C)C)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738125 1067002164 /nfs/dbraw/zinc/00/21/64/1067002164.db2.gz CFLQXHDIQOBTIJ-UKILVPOCSA-N 0 3 466.718 4.718 20 0 JJADHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001449575079 1067015591 /nfs/dbraw/zinc/01/55/91/1067015591.db2.gz RQYMGQOGOMIMLW-UHFFFAOYSA-N 0 3 457.659 4.952 20 0 JJADHN CC[C@H](c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001545748496 1067017587 /nfs/dbraw/zinc/01/75/87/1067017587.db2.gz BFFTUXXLNICPAR-ZEQRLZLVSA-N 0 3 451.659 4.866 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)C1 ZINC001449698519 1067021752 /nfs/dbraw/zinc/02/17/52/1067021752.db2.gz NLUBDQFSXZIKEJ-JEYPMZLKSA-N 0 3 455.643 4.537 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4ccc(C=O)cc4)cc3)CC2)cc1 ZINC001449907777 1067036738 /nfs/dbraw/zinc/03/67/38/1067036738.db2.gz YZRQFVXYMIZOTL-UHFFFAOYSA-N 0 3 455.558 4.519 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758396 1067037262 /nfs/dbraw/zinc/03/72/62/1067037262.db2.gz GGZOXABYQZOCGN-SIKLNZKXSA-N 0 3 479.591 4.852 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545758434 1067037655 /nfs/dbraw/zinc/03/76/55/1067037655.db2.gz HAARBKZAPLNMDF-HSZRJFAPSA-N 0 3 492.716 4.773 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545758830 1067040224 /nfs/dbraw/zinc/04/02/24/1067040224.db2.gz NTBRKQHKEMYLPQ-GOSISDBHSA-N 0 3 470.406 4.586 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545759202 1067041669 /nfs/dbraw/zinc/04/16/69/1067041669.db2.gz UGDOXBSDAGSACU-JOCHJYFZSA-N 0 3 479.591 4.711 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)CCOC)c1ccccc1 ZINC001545759413 1067042473 /nfs/dbraw/zinc/04/24/73/1067042473.db2.gz XTUHASUYOAWQJY-WIOPSUGQSA-N 0 3 483.701 4.572 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(Br)c1N ZINC001450115937 1067050329 /nfs/dbraw/zinc/05/03/29/1067050329.db2.gz MWEJGQHVUVGWKP-HXUWFJFHSA-N 0 3 458.444 4.837 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(Br)c1N ZINC001450115932 1067050447 /nfs/dbraw/zinc/05/04/47/1067050447.db2.gz MWEJGQHVUVGWKP-FQEVSTJZSA-N 0 3 458.444 4.837 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114037 1067050677 /nfs/dbraw/zinc/05/06/77/1067050677.db2.gz KCTRZBKLUAEELJ-VWNXMTODSA-N 0 3 459.675 4.681 20 0 JJADHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)O[C@@H](C)C2 ZINC001450126655 1067051070 /nfs/dbraw/zinc/05/10/70/1067051070.db2.gz JUBOEUXHKYOGGD-CISPJPAASA-N 0 3 454.636 4.653 20 0 JJADHN Cc1noc(Cl)c1CCC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001450135244 1067052333 /nfs/dbraw/zinc/05/23/33/1067052333.db2.gz FXATZNHDCPIYAX-QFIPXVFZSA-N 0 3 452.986 4.657 20 0 JJADHN Cc1noc(Cl)c1CCC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001450135235 1067052454 /nfs/dbraw/zinc/05/24/54/1067052454.db2.gz FXATZNHDCPIYAX-JOCHJYFZSA-N 0 3 452.986 4.657 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)N(C)C)cc1 ZINC001450140152 1067053668 /nfs/dbraw/zinc/05/36/68/1067053668.db2.gz XRJYAHCKGPQZOE-JOCHJYFZSA-N 0 3 457.043 4.956 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001545774482 1067067512 /nfs/dbraw/zinc/06/75/12/1067067512.db2.gz QPCMJVWEVMCIPA-UHFFFAOYSA-N 0 3 496.483 4.758 20 0 JJADHN CCC(CC)(Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001545779734 1067075640 /nfs/dbraw/zinc/07/56/40/1067075640.db2.gz YWHKBIPAQLTOQT-UHFFFAOYSA-N 0 3 452.647 4.563 20 0 JJADHN CCOc1ccc([C@@H](O)C2CCN(C(=O)[C@H]3CCCCN3Cc3cccc(C)c3)CC2)cc1 ZINC001450415957 1067079038 /nfs/dbraw/zinc/07/90/38/1067079038.db2.gz RPPDLMBIAGZXKJ-KAYWLYCHSA-N 0 3 450.623 4.720 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)c2csc(COc3ccc(F)cc3)n2)N(C)C)cc1 ZINC001450540475 1067088029 /nfs/dbraw/zinc/08/80/29/1067088029.db2.gz GJJBUYXELAFRDN-QFIPXVFZSA-N 0 3 457.571 4.681 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Br)N(C)C)cc1 ZINC001450548977 1067090185 /nfs/dbraw/zinc/09/01/85/1067090185.db2.gz TUSZBLBUYQUTQW-HXUWFJFHSA-N 0 3 453.808 4.851 20 0 JJADHN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001450608443 1067095018 /nfs/dbraw/zinc/09/50/18/1067095018.db2.gz LXGHOULFGBJCGD-QGZVFWFLSA-N 0 3 457.500 4.798 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626479 1067098558 /nfs/dbraw/zinc/09/85/58/1067098558.db2.gz HGNAAGYZKYEKQK-DYESRHJHSA-N 0 3 458.002 4.866 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634024 1067099594 /nfs/dbraw/zinc/09/95/94/1067099594.db2.gz WDKQNAGOTYLPIS-HTAPYJJXSA-N 0 3 456.011 4.555 20 0 JJADHN CN(C)C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1 ZINC001450700257 1067106644 /nfs/dbraw/zinc/10/66/44/1067106644.db2.gz IXSRYTAGYZFIOK-LJQANCHMSA-N 0 3 452.313 4.732 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC001450703048 1067107528 /nfs/dbraw/zinc/10/75/28/1067107528.db2.gz UMKWUIMNONBWHZ-UHFFFAOYSA-N 0 3 453.783 4.907 20 0 JJADHN COc1ccc(-c2cc(C(=O)N[C@H](CN(C)C)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001450704961 1067107965 /nfs/dbraw/zinc/10/79/65/1067107965.db2.gz OPWAPZSOBCELIE-RUZDIDTESA-N 0 3 458.537 4.720 20 0 JJADHN CN(C)C[C@@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC001450712075 1067109544 /nfs/dbraw/zinc/10/95/44/1067109544.db2.gz XFAWWPOJNHXTLO-HSZRJFAPSA-N 0 3 454.929 4.508 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC001450796598 1067122472 /nfs/dbraw/zinc/12/24/72/1067122472.db2.gz OYKZQCYYPJEJMR-HXOBKFHXSA-N 0 3 452.549 4.976 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450803139 1067123344 /nfs/dbraw/zinc/12/33/44/1067123344.db2.gz OLXWHUWAJYAGJE-KKSFZXQISA-N 0 3 452.565 4.783 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)N1CCOCC1 ZINC001545808159 1067131620 /nfs/dbraw/zinc/13/16/20/1067131620.db2.gz TZTRLEYOUDLYRL-FCHUYYIVSA-N 0 3 478.106 4.677 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)N1CCOCC1 ZINC001545808342 1067133597 /nfs/dbraw/zinc/13/35/97/1067133597.db2.gz WXWWMAYBKSEDAL-QFIPXVFZSA-N 0 3 478.468 4.981 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@@H](C)C1)N1CCOCC1 ZINC001545809629 1067136394 /nfs/dbraw/zinc/13/63/94/1067136394.db2.gz HTPFHVZJWRYYJY-IMSXRSKXSA-N 0 3 471.715 4.721 20 0 JJADHN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(CN(C)C)cc2OC)nnc1-c1ccccc1 ZINC001451097229 1067146218 /nfs/dbraw/zinc/14/62/18/1067146218.db2.gz YDYVZXBJCODQMG-QGZVFWFLSA-N 0 3 453.612 4.717 20 0 JJADHN CC(C)c1ccoc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451308649 1067158672 /nfs/dbraw/zinc/15/86/72/1067158672.db2.gz YMAYASMTQGYVJK-UHFFFAOYSA-N 0 3 455.599 4.692 20 0 JJADHN CCC(CC)c1cc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)on1 ZINC001545824602 1067169351 /nfs/dbraw/zinc/16/93/51/1067169351.db2.gz DDAVWEGEKVYLEW-UHFFFAOYSA-N 0 3 468.621 4.868 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1Cc1ccc(C)s1 ZINC001545830289 1067180946 /nfs/dbraw/zinc/18/09/46/1067180946.db2.gz QPHNRLVRBWUONJ-UHFFFAOYSA-N 0 3 494.709 4.716 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H](C)N1CCC(C)CC1 ZINC001545833920 1067184285 /nfs/dbraw/zinc/18/42/85/1067184285.db2.gz PNMJLSJVURXTGM-SFHVURJKSA-N 0 3 493.071 4.746 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545848850 1067201591 /nfs/dbraw/zinc/20/15/91/1067201591.db2.gz GZSBIKDBOGMMMK-DPLHUUCSSA-N 0 3 466.674 4.658 20 0 JJADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccn1-c1c(Cl)cccc1Cl ZINC001458970505 1067213033 /nfs/dbraw/zinc/21/30/33/1067213033.db2.gz BUWBOHNFDMZEAX-LJQANCHMSA-N 0 3 458.389 4.805 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)COc2c(Cl)cccc2Br)CC1 ZINC001459232198 1067274606 /nfs/dbraw/zinc/27/46/06/1067274606.db2.gz VDLXKVICBFXMBD-UHFFFAOYSA-N 0 3 451.792 4.524 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CC2)c1 ZINC001453145174 1067283766 /nfs/dbraw/zinc/28/37/66/1067283766.db2.gz HWAQUMIOYFFVGE-UHFFFAOYSA-N 0 3 458.002 4.850 20 0 JJADHN CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@H]1CCN(CC)C1 ZINC001453177686 1067286999 /nfs/dbraw/zinc/28/69/99/1067286999.db2.gz MKWFVBQHQIKRKC-FQEVSTJZSA-N 0 3 458.400 4.566 20 0 JJADHN CN(CCN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)Cc1ccccc1 ZINC001459428901 1067323457 /nfs/dbraw/zinc/32/34/57/1067323457.db2.gz VTCVIWWZCHQJNO-UHFFFAOYSA-N 0 3 456.350 4.722 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N3CCN[C@H](C(C)C)C3)cc12 ZINC001453742192 1067325882 /nfs/dbraw/zinc/32/58/82/1067325882.db2.gz ZZXVCKHBZFXTFL-SFHVURJKSA-N 0 3 451.423 4.831 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CN(Cc3ccccc3Cl)C3CCCC3)cc2)CC1 ZINC001459451746 1067326847 /nfs/dbraw/zinc/32/68/47/1067326847.db2.gz SJIJBADPMAGWBV-UHFFFAOYSA-N 0 3 455.046 4.865 20 0 JJADHN CCN1CCN(C(=O)CC2CCN(Cc3ccc(Oc4ccccc4F)c(F)c3)CC2)CC1 ZINC001459488044 1067337100 /nfs/dbraw/zinc/33/71/00/1067337100.db2.gz ONYSAYBUTGYASN-UHFFFAOYSA-N 0 3 457.565 4.523 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510669 1067341448 /nfs/dbraw/zinc/34/14/48/1067341448.db2.gz DARJFHJTTSHQBM-DNVJHFABSA-N 0 3 459.631 4.755 20 0 JJADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686314 1067383400 /nfs/dbraw/zinc/38/34/00/1067383400.db2.gz NJXPOHIPFDFFQH-VXKWHMMOSA-N 0 3 456.583 4.734 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3ccc(C4CCOCC4)cc3)c(OCC)c2)CC1 ZINC001459710278 1067391250 /nfs/dbraw/zinc/39/12/50/1067391250.db2.gz LELGFDGCUJJITA-UHFFFAOYSA-N 0 3 451.611 4.764 20 0 JJADHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001459722937 1067395951 /nfs/dbraw/zinc/39/59/51/1067395951.db2.gz UDAWZOAXSUDYNQ-FNZWTVRRSA-N 0 3 458.647 4.679 20 0 JJADHN COc1ccc([C@@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723920 1067396462 /nfs/dbraw/zinc/39/64/62/1067396462.db2.gz WTEYAAIPWHPRNP-GOTSBHOMSA-N 0 3 456.558 4.682 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC001459749588 1067405450 /nfs/dbraw/zinc/40/54/50/1067405450.db2.gz NDLMSTRCRYOGFK-UHFFFAOYSA-N 0 3 458.400 4.585 20 0 JJADHN CC(C)Oc1cc(CN(CCC(=O)Nc2ccc(Br)cc2F)C2CC2)ccn1 ZINC001459774016 1067416665 /nfs/dbraw/zinc/41/66/65/1067416665.db2.gz LKRYTIUXTAVRTP-UHFFFAOYSA-N 0 3 450.352 4.764 20 0 JJADHN COc1ccc(CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C2CCCCC2)cc1OC ZINC001459787592 1067422238 /nfs/dbraw/zinc/42/22/38/1067422238.db2.gz UZLJWLNKNIJOER-UHFFFAOYSA-N 0 3 453.583 4.804 20 0 JJADHN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788371 1067422824 /nfs/dbraw/zinc/42/28/24/1067422824.db2.gz BODVOTWSWPFRQT-FDDCHVKYSA-N 0 3 454.018 4.868 20 0 JJADHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC001459816341 1067435931 /nfs/dbraw/zinc/43/59/31/1067435931.db2.gz GJRXLGBXFVBWBV-HXUWFJFHSA-N 0 3 451.880 4.865 20 0 JJADHN CCOC(=O)C1C(CN[C@@H](c2ccccc2C)C2CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833190 1067444905 /nfs/dbraw/zinc/44/49/05/1067444905.db2.gz JFGCIULODKPBAY-DHIUTWEWSA-N 0 3 453.970 4.560 20 0 JJADHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848896 1067454094 /nfs/dbraw/zinc/45/40/94/1067454094.db2.gz VHMHEUIATYKYNX-OALUTQOASA-N 0 3 451.542 4.506 20 0 JJADHN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848906 1067454170 /nfs/dbraw/zinc/45/41/70/1067454170.db2.gz VHMHEUIATYKYNX-RTBURBONSA-N 0 3 451.542 4.506 20 0 JJADHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001459851320 1067456747 /nfs/dbraw/zinc/45/67/47/1067456747.db2.gz QJNSUWSVFZSJMA-HXUWFJFHSA-N 0 3 456.942 4.796 20 0 JJADHN O=C(CN[C@@H](Cc1ccccc1Cl)c1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC001459883653 1067472235 /nfs/dbraw/zinc/47/22/35/1067472235.db2.gz ZJYCFDRJXATPTJ-SANMLTNESA-N 0 3 458.993 4.758 20 0 JJADHN COC(=O)c1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922387 1067492822 /nfs/dbraw/zinc/49/28/22/1067492822.db2.gz DXYKZSADEJPZTG-LPHOPBHVSA-N 0 3 459.612 4.722 20 0 JJADHN O=C(Nc1c[nH]nc1[C@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938939 1067499582 /nfs/dbraw/zinc/49/95/82/1067499582.db2.gz WOZYEANPRJOWJP-KRWDZBQOSA-N 0 3 450.505 4.816 20 0 JJADHN CC(C)N1C(=O)C[C@H](NC[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459947650 1067502695 /nfs/dbraw/zinc/50/26/95/1067502695.db2.gz BDILCLLUZKMKIM-ZVDOUQERSA-N 0 3 458.883 4.872 20 0 JJADHN CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955777 1067506497 /nfs/dbraw/zinc/50/64/97/1067506497.db2.gz VGMBASDGXRCQEL-ZBFHGGJFSA-N 0 3 452.617 4.638 20 0 JJADHN CC[C@@]1(CO)CCCN(Cc2csc(=Nc3ccc(OC)cc3)n2Cc2ccccc2)C1 ZINC001460000872 1067522087 /nfs/dbraw/zinc/52/20/87/1067522087.db2.gz TUZBMYVLXSHVMJ-AREMUKBSSA-N 0 3 451.636 4.823 20 0 JJADHN CC(C)=CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(Cl)cc1 ZINC001460009633 1067525541 /nfs/dbraw/zinc/52/55/41/1067525541.db2.gz UQKDJWSGOBUGLW-UHFFFAOYSA-N 0 3 450.023 4.578 20 0 JJADHN Cc1cccc(CC2(O)CCN(CCC(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)c1 ZINC001460040231 1067536506 /nfs/dbraw/zinc/53/65/06/1067536506.db2.gz PFMKDJWEHNUIRM-UHFFFAOYSA-N 0 3 456.586 4.624 20 0 JJADHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001460072672 1067546516 /nfs/dbraw/zinc/54/65/16/1067546516.db2.gz CCDYQBWTSOUUQI-QHCPKHFHSA-N 0 3 453.970 4.716 20 0 JJADHN CCN(C(=O)CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H](C)c1ccc(F)cc1 ZINC001460073918 1067546561 /nfs/dbraw/zinc/54/65/61/1067546561.db2.gz VXBKLALPXRXTBP-GAJHUEQPSA-N 0 3 452.492 4.745 20 0 JJADHN CC[C@@H](NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076717 1067548012 /nfs/dbraw/zinc/54/80/12/1067548012.db2.gz FUZIIWPTCPKVDP-QFQXNSOFSA-N 0 3 450.604 4.980 20 0 JJADHN Cc1cccc(CNC(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)C[C@H](C)C3)cc2)c1 ZINC001460122428 1067559384 /nfs/dbraw/zinc/55/93/84/1067559384.db2.gz UQYZCSQRUOQGKT-QHCPKHFHSA-N 0 3 455.602 4.519 20 0 JJADHN COc1cc(NC(=O)CCN(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127320 1067560492 /nfs/dbraw/zinc/56/04/92/1067560492.db2.gz QVZXYPDTJIEONO-LBPRGKRZSA-N 0 3 451.354 4.909 20 0 JJADHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC001460126525 1067560640 /nfs/dbraw/zinc/56/06/40/1067560640.db2.gz VDAAZYJTRBRDET-IAGOWNOFSA-N 0 3 450.988 4.587 20 0 JJADHN COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001460149567 1067565395 /nfs/dbraw/zinc/56/53/95/1067565395.db2.gz FNDMRWGUIPOJMH-RUZDIDTESA-N 0 3 458.606 4.504 20 0 JJADHN CC(C)(CO)[C@H](NC[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1cccnc1 ZINC001460159368 1067567183 /nfs/dbraw/zinc/56/71/83/1067567183.db2.gz DJMGWHXYWCPCQW-XZOQPEGZSA-N 0 3 455.396 4.894 20 0 JJADHN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191934 1067575662 /nfs/dbraw/zinc/57/56/62/1067575662.db2.gz BDZUYZKGMIWCCK-AWEZNQCLSA-N 0 3 454.771 4.781 20 0 JJADHN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460215218 1067581495 /nfs/dbraw/zinc/58/14/95/1067581495.db2.gz QHAWGTLGFVDZOA-WIOPSUGQSA-N 0 3 481.999 4.992 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1(C)C ZINC001460240017 1067588782 /nfs/dbraw/zinc/58/87/82/1067588782.db2.gz MLYUPXCTTUUXMU-CQSZACIVSA-N 0 3 450.794 4.963 20 0 JJADHN COC(=O)[C@@H]1CN([C@@H]2CCCc3ccc(Br)cc32)C[C@H]1c1ccc(F)cc1F ZINC001460277954 1067596060 /nfs/dbraw/zinc/59/60/60/1067596060.db2.gz OOYKOFYZOQBQEI-QKNQBKEWSA-N 0 3 450.323 4.993 20 0 JJADHN C[C@@H]1CCc2c(sc3nc(CCN4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278985 1067596467 /nfs/dbraw/zinc/59/64/67/1067596467.db2.gz NPCNRKUDFABIER-SJORKVTESA-N 0 3 458.672 4.917 20 0 JJADHN C[C@@H]1CCc2c(sc3nc(CCN4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278977 1067596590 /nfs/dbraw/zinc/59/65/90/1067596590.db2.gz NPCNRKUDFABIER-IAGOWNOFSA-N 0 3 458.672 4.917 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@H](CCN2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300743 1067601830 /nfs/dbraw/zinc/60/18/30/1067601830.db2.gz YONVYCDMCWZGEG-AZGAKELHSA-N 0 3 450.604 4.558 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317541 1067606429 /nfs/dbraw/zinc/60/64/29/1067606429.db2.gz LQGMPGSYHFWYAO-HBGVWJBISA-N 0 3 456.986 4.785 20 0 JJADHN C[C@H](N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325014 1067608590 /nfs/dbraw/zinc/60/85/90/1067608590.db2.gz FOLIYTIPTJAPHK-NMNUPHIUSA-N 0 3 451.611 4.886 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327854 1067609425 /nfs/dbraw/zinc/60/94/25/1067609425.db2.gz YVWXQIXKLUKATP-JWQCQUIFSA-N 0 3 451.630 4.844 20 0 JJADHN CC(C)(C)OC(=O)CCC1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC001460386839 1067623765 /nfs/dbraw/zinc/62/37/65/1067623765.db2.gz HUTXJUSOTGDXSA-UHFFFAOYSA-N 0 3 451.611 4.618 20 0 JJADHN C[C@H]1CCCC[C@@H]1OCCNC(=O)CNC1(c2ccc(Br)cc2)CCCCC1 ZINC001460406278 1067628869 /nfs/dbraw/zinc/62/88/69/1067628869.db2.gz CVRNCXKWHSQWOB-RXVVDRJESA-N 0 3 451.449 4.910 20 0 JJADHN CN(C)C[C@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599048 1067666293 /nfs/dbraw/zinc/66/62/93/1067666293.db2.gz WTQULFHYPMIUHB-KXBFYZLASA-N 0 3 452.209 4.932 20 0 JJADHN CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636941 1067681000 /nfs/dbraw/zinc/68/10/00/1067681000.db2.gz LBBIHSRPJSXJRZ-CVDCTZTESA-N 0 3 459.556 4.916 20 0 JJADHN COc1cc(Br)ccc1CCCN1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001460662454 1067692501 /nfs/dbraw/zinc/69/25/01/1067692501.db2.gz UAUBGODNGNKDNI-OALUTQOASA-N 0 3 453.421 4.864 20 0 JJADHN CC(C)CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCN(C)CC1 ZINC001460671336 1067694933 /nfs/dbraw/zinc/69/49/33/1067694933.db2.gz AOZJPVJXCHFCKY-XMMPIXPASA-N 0 3 456.030 4.780 20 0 JJADHN C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)CCC(=O)N1CCN(C)CC1 ZINC001460685135 1067701479 /nfs/dbraw/zinc/70/14/79/1067701479.db2.gz CRHVGTQRKUPBMO-QGZVFWFLSA-N 0 3 450.410 4.943 20 0 JJADHN COc1cccc([C@@H]2CCN(CC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)C2(C)C)c1 ZINC001460720003 1067709036 /nfs/dbraw/zinc/70/90/36/1067709036.db2.gz QBRIRUFLIXLMLJ-GOTSBHOMSA-N 0 3 452.595 4.644 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001460747847 1067715143 /nfs/dbraw/zinc/71/51/43/1067715143.db2.gz DSHMTTMHJCPQBM-NBGIEHNGSA-N 0 3 459.034 4.890 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750836 1067715624 /nfs/dbraw/zinc/71/56/24/1067715624.db2.gz WVLZGCRETKRQAV-NFBKMPQASA-N 0 3 453.631 4.953 20 0 JJADHN CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759212 1067718415 /nfs/dbraw/zinc/71/84/15/1067718415.db2.gz DZAOSXKDFJTAJL-VXNXHJTFSA-N 0 3 468.613 4.914 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822397 1067729552 /nfs/dbraw/zinc/72/95/52/1067729552.db2.gz SXJWJNICGIKGSQ-AVRDEDQJSA-N 0 3 459.414 4.599 20 0 JJADHN CC(C)Oc1ccc(CCNC(=O)CN2CCC[C@@H]2Cc2ccc(Br)cc2)cc1 ZINC001460870867 1067739126 /nfs/dbraw/zinc/73/91/26/1067739126.db2.gz IILUHOXDTZGMBS-JOCHJYFZSA-N 0 3 459.428 4.602 20 0 JJADHN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCS1 ZINC001546119943 1067743419 /nfs/dbraw/zinc/74/34/19/1067743419.db2.gz VYUCPBJWNFVYRI-XMMPIXPASA-N 0 3 494.709 4.687 20 0 JJADHN CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953655 1067753100 /nfs/dbraw/zinc/75/31/00/1067753100.db2.gz ZDJVEWAWKIADHP-HNNXBMFYSA-N 0 3 458.430 4.892 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011643 1067762009 /nfs/dbraw/zinc/76/20/09/1067762009.db2.gz HRYLBFJXKBZOMS-UNMCSNQZSA-N 0 3 457.615 4.748 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011634 1067762077 /nfs/dbraw/zinc/76/20/77/1067762077.db2.gz HRYLBFJXKBZOMS-IFMALSPDSA-N 0 3 457.615 4.748 20 0 JJADHN CCN(CC)C(=O)c1ccc(CNCc2cc(C)c(I)cc2C)cc1 ZINC001461019591 1067762940 /nfs/dbraw/zinc/76/29/40/1067762940.db2.gz PQGHOWPCGFDOPH-UHFFFAOYSA-N 0 3 450.364 4.680 20 0 JJADHN CCN(CC)C(=O)c1ccc(CNCc2ccc(Br)c(Br)c2)cc1 ZINC001461019760 1067763011 /nfs/dbraw/zinc/76/30/11/1067763011.db2.gz RPUYIJAMXFDEPT-UHFFFAOYSA-N 0 3 454.206 4.983 20 0 JJADHN C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCc1cccc(N2CCCC2=O)c1 ZINC001461043965 1067768710 /nfs/dbraw/zinc/76/87/10/1067768710.db2.gz XMYVALPYXIPNON-CQSZACIVSA-N 0 3 453.892 4.993 20 0 JJADHN COC(=O)Nc1ccc(CNCc2cc(Br)c(OC)c(Br)c2)cc1 ZINC001461048067 1067769218 /nfs/dbraw/zinc/76/92/18/1067769218.db2.gz DSTMLKCGPNECQZ-UHFFFAOYSA-N 0 3 458.150 4.688 20 0 JJADHN COc1ncc(Br)cc1CNC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001461050486 1067769672 /nfs/dbraw/zinc/76/96/72/1067769672.db2.gz HFWJWTGPQUQEQV-FQEVSTJZSA-N 0 3 458.425 4.803 20 0 JJADHN CC[C@@H](NCc1ccnc2c(Br)cccc12)c1ccccc1OCC(=O)N(C)C ZINC001461064835 1067774350 /nfs/dbraw/zinc/77/43/50/1067774350.db2.gz QWPHZVNJSGOZPV-HXUWFJFHSA-N 0 3 456.384 4.705 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148676 1067789464 /nfs/dbraw/zinc/78/94/64/1067789464.db2.gz WYQQKQAEYRYBIN-VWNXMTODSA-N 0 3 450.579 4.814 20 0 JJADHN C[C@H](NCc1cc(Br)cc(Br)c1N)c1ccc2c(c1)CCC(=O)N2 ZINC001461156273 1067790615 /nfs/dbraw/zinc/79/06/15/1067790615.db2.gz SGAYHAFDBHQOJC-JTQLQIEISA-N 0 3 453.178 4.529 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H](O)c1c(F)cccc1Cl ZINC001461229230 1067804905 /nfs/dbraw/zinc/80/49/05/1067804905.db2.gz GTIJYWYDZLZWPW-IBGZPJMESA-N 0 3 452.755 4.867 20 0 JJADHN Cc1ccccc1O[C@H](C)CNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001461244182 1067808504 /nfs/dbraw/zinc/80/85/04/1067808504.db2.gz NIQUVZLNNJVMPT-GOSISDBHSA-N 0 3 453.410 4.570 20 0 JJADHN CC[C@H](NCc1c(Br)c2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461282776 1067817521 /nfs/dbraw/zinc/81/75/21/1067817521.db2.gz VELHNKCZFFMZFQ-NZQKXSOJSA-N 0 3 456.428 4.710 20 0 JJADHN COc1cc(Br)c(CNc2cccc(CN3CCSCC3)c2C)cc1OC ZINC001461301893 1067822479 /nfs/dbraw/zinc/82/24/79/1067822479.db2.gz XCCFXSSXJRZZPA-UHFFFAOYSA-N 0 3 451.430 4.936 20 0 JJADHN Cc1nn(-c2ccccc2F)cc1CN[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC001461306118 1067824187 /nfs/dbraw/zinc/82/41/87/1067824187.db2.gz FGUPQMDNLJJTJM-INIZCTEOSA-N 0 3 453.871 4.756 20 0 JJADHN Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001461335883 1067831359 /nfs/dbraw/zinc/83/13/59/1067831359.db2.gz WOHPSCCQGPZTQE-KRWDZBQOSA-N 0 3 453.892 4.674 20 0 JJADHN O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001461337080 1067832320 /nfs/dbraw/zinc/83/23/20/1067832320.db2.gz YURMGNBNAFXUSZ-RTBURBONSA-N 0 3 453.435 4.880 20 0 JJADHN Cc1cc(CN[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc(C)c1OCc1ccccn1 ZINC001461357344 1067837212 /nfs/dbraw/zinc/83/72/12/1067837212.db2.gz IDTWCAXLSZHTKA-HXUWFJFHSA-N 0 3 453.945 4.965 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CNCCOc1cccc(C(F)(F)F)n1 ZINC001461406095 1067847830 /nfs/dbraw/zinc/84/78/30/1067847830.db2.gz KSCMBUDXRCAJAX-UHFFFAOYSA-N 0 3 455.278 4.526 20 0 JJADHN Cc1cc(Br)c(Cl)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001461421570 1067852694 /nfs/dbraw/zinc/85/26/94/1067852694.db2.gz OHVIRJOVIABAKL-UHFFFAOYSA-N 0 3 450.808 4.952 20 0 JJADHN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc(I)cc1 ZINC001461431491 1067854977 /nfs/dbraw/zinc/85/49/77/1067854977.db2.gz KORYXWDGOSQGHN-OAQYLSRUSA-N 0 3 456.327 4.631 20 0 JJADHN O=S(=O)(NCCNCc1ccc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1Cl ZINC001461453870 1067860715 /nfs/dbraw/zinc/86/07/15/1067860715.db2.gz ASNCVBRIGSKGBM-UHFFFAOYSA-N 0 3 459.395 4.929 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNC[C@H](CO)CC1CCOCC1 ZINC001461466558 1067864074 /nfs/dbraw/zinc/86/40/74/1067864074.db2.gz VHEMCVSSHYILFB-OAQYLSRUSA-N 0 3 453.558 4.627 20 0 JJADHN Cc1ccc(Cn2cc(CNCC3(S(C)(=O)=O)CCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC001461485135 1067872266 /nfs/dbraw/zinc/87/22/66/1067872266.db2.gz BUTVPQBYVDWRGF-UHFFFAOYSA-N 0 3 451.636 4.662 20 0 JJADHN C[C@@](CO)(NCc1ccnc2c(Br)cccc12)c1ccc(Br)cc1 ZINC001461498039 1067876209 /nfs/dbraw/zinc/87/62/09/1067876209.db2.gz JQEYAFJTHQOETD-IBGZPJMESA-N 0 3 450.174 4.757 20 0 JJADHN CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@@H]1CCCN(C)C1 ZINC001461564041 1067889383 /nfs/dbraw/zinc/88/93/83/1067889383.db2.gz IYZBGDCYTUQWSO-GOSISDBHSA-N 0 3 456.384 4.974 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cnc([C@H]3CCCO3)s2)cc1 ZINC001461624198 1067904164 /nfs/dbraw/zinc/90/41/64/1067904164.db2.gz GIMCJCSCKLNITP-FDFHNCONSA-N 0 3 473.639 4.886 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cn1 ZINC001461639129 1067907308 /nfs/dbraw/zinc/90/73/08/1067907308.db2.gz ZIKBNYUPUJTOGV-LEWJYISDSA-N 0 3 468.598 4.921 20 0 JJADHN COc1ccc(CN2CC[C@H]2CNCc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC001461643013 1067908107 /nfs/dbraw/zinc/90/81/07/1067908107.db2.gz OUFVHFCYAWSPIF-FQEVSTJZSA-N 0 3 459.421 4.919 20 0 JJADHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNCc1c(F)ccc(C3OCCO3)c1Cl)C2 ZINC001461692374 1067919677 /nfs/dbraw/zinc/91/96/77/1067919677.db2.gz WUGPGFBRMCALCB-MUJYYYPQSA-N 0 3 454.970 4.792 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2ccc(Br)c(F)c2F)C1 ZINC001461752275 1067930625 /nfs/dbraw/zinc/93/06/25/1067930625.db2.gz QKDZEWIGSOSGLU-GFCCVEGCSA-N 0 3 455.290 4.709 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2cc(Br)ccc2Br)C1 ZINC001461775030 1067934936 /nfs/dbraw/zinc/93/49/36/1067934936.db2.gz IVGZNSNDQISURQ-SWLSCSKDSA-N 0 3 462.226 4.995 20 0 JJADHN COc1ccc(C(=O)Nc2cccc(CN[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)c2)cc1 ZINC001461793394 1067937958 /nfs/dbraw/zinc/93/79/58/1067937958.db2.gz IFNVLZKJUNYPSP-MZYLBHOOSA-N 0 3 451.567 4.578 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CNCc1cc2ccccc2n(C)c1=O)C(F)(F)F ZINC001461821526 1067942077 /nfs/dbraw/zinc/94/20/77/1067942077.db2.gz RUFHDTLICZNUNM-OAQYLSRUSA-N 0 3 454.496 4.777 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CNCCNc1ccc(C(F)(F)F)cn1 ZINC001461826878 1067942469 /nfs/dbraw/zinc/94/24/69/1067942469.db2.gz UHADRAKMOYIZKX-UHFFFAOYSA-N 0 3 454.294 4.559 20 0 JJADHN Cc1cccc(NC[C@@H]2CCCN2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863005 1067949658 /nfs/dbraw/zinc/94/96/58/1067949658.db2.gz AFAIKXWHMPKGLU-SFTDATJTSA-N 0 3 454.615 4.618 20 0 JJADHN COc1ccc(CCC(=O)N2CCN(CC(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC001461968303 1067971373 /nfs/dbraw/zinc/97/13/73/1067971373.db2.gz LEUAQFLDBMXDHH-UHFFFAOYSA-N 0 3 456.630 4.874 20 0 JJADHN COc1cc(OC)cc(N2CC[C@@H](N(C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968060 1067971558 /nfs/dbraw/zinc/97/15/58/1067971558.db2.gz NMYJVVYMJNPFAM-MUUNZHRXSA-N 0 3 458.602 4.843 20 0 JJADHN Cc1cc(Br)cn2cc(CNC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc12 ZINC001462066196 1067995201 /nfs/dbraw/zinc/99/52/01/1067995201.db2.gz SHBCJOJXMFWCJG-JKSUJKDBSA-N 0 3 451.409 4.530 20 0 JJADHN CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462110380 1068006518 /nfs/dbraw/zinc/00/65/18/1068006518.db2.gz RQCVMYAVLCCQEX-VJGNERBWSA-N 0 3 458.602 4.945 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cccc(F)c2SC)cc1 ZINC001462113267 1068007012 /nfs/dbraw/zinc/00/70/12/1068007012.db2.gz YJSMEFPKADJMRZ-LADGPHEKSA-N 0 3 450.579 4.954 20 0 JJADHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1N ZINC001462120289 1068009043 /nfs/dbraw/zinc/00/90/43/1068009043.db2.gz UMOPWFDCEDJJHH-LJQANCHMSA-N 0 3 456.222 4.957 20 0 JJADHN COc1ccc(CN(CC2CCC2)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c(OC)c1 ZINC001462149618 1068015922 /nfs/dbraw/zinc/01/59/22/1068015922.db2.gz NBTZTBKLAGRZIO-LJQANCHMSA-N 0 3 454.558 4.951 20 0 JJADHN Ic1cccc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC001462201243 1068027995 /nfs/dbraw/zinc/02/79/95/1068027995.db2.gz VKLWWRRRNNCPHW-QGZVFWFLSA-N 0 3 450.368 4.837 20 0 JJADHN Ic1cccc(CN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC001462201243 1068028011 /nfs/dbraw/zinc/02/80/11/1068028011.db2.gz VKLWWRRRNNCPHW-QGZVFWFLSA-N 0 3 450.368 4.837 20 0 JJADHN C[C@@H]1C[C@@H](NCc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255824 1068038836 /nfs/dbraw/zinc/03/88/36/1068038836.db2.gz AMQKFOHJFLZNBV-GDBMZVCRSA-N 0 3 453.222 4.607 20 0 JJADHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001462418316 1068070571 /nfs/dbraw/zinc/07/05/71/1068070571.db2.gz MLHXBQMJITVGDS-UHFFFAOYSA-N 0 3 458.817 4.891 20 0 JJADHN CCOc1cc(C[NH2+]C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC001462648706 1068123877 /nfs/dbraw/zinc/12/38/77/1068123877.db2.gz SZAIPJMLOFFTBB-INIZCTEOSA-N 0 3 457.409 4.823 20 0 JJADHN CN(C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1C(F)(F)F ZINC001462727535 1068145259 /nfs/dbraw/zinc/14/52/59/1068145259.db2.gz FWOYWQXRYJDMJF-CYBMUJFWSA-N 0 3 457.855 4.551 20 0 JJADHN CC[C@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055332 1068268138 /nfs/dbraw/zinc/26/81/38/1068268138.db2.gz LIFAGZLYCSWFFM-KMDXXIMOSA-N 0 3 469.676 4.799 20 0 JJADHN CC(C)C[C@@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@H](C)c1ccccc1 ZINC001463073767 1068277945 /nfs/dbraw/zinc/27/79/45/1068277945.db2.gz KICUAPYEHMMCRL-WBVHZDCISA-N 0 3 452.045 4.994 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](C)Oc2cccc(C)c2)cc1 ZINC001463126379 1068296151 /nfs/dbraw/zinc/29/61/51/1068296151.db2.gz DXZDPYKURVQNJG-KEKPKEOLSA-N 0 3 478.658 4.658 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2c(C)cccc2F)cc1 ZINC001463172467 1068309424 /nfs/dbraw/zinc/30/94/24/1068309424.db2.gz XWLJTSUKEORQQS-AZGAKELHSA-N 0 3 452.595 4.530 20 0 JJADHN CCCOc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186041 1068313657 /nfs/dbraw/zinc/31/36/57/1068313657.db2.gz KQLSTAVKJIELPT-QFIPXVFZSA-N 0 3 458.668 4.916 20 0 JJADHN CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264510 1068338808 /nfs/dbraw/zinc/33/88/08/1068338808.db2.gz CQOYDBQMJHRYMO-CXSMSNRLSA-N 0 3 458.693 4.557 20 0 JJADHN C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001463568425 1068448865 /nfs/dbraw/zinc/44/88/65/1068448865.db2.gz SPOWPKHHNZUKHZ-HXUWFJFHSA-N 0 3 459.556 4.697 20 0 JJADHN O=C(N[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759242 1068514878 /nfs/dbraw/zinc/51/48/78/1068514878.db2.gz BZGADPMHSIDWAB-FTJBHMTQSA-N 0 3 457.574 4.607 20 0 JJADHN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001463766970 1068517657 /nfs/dbraw/zinc/51/76/57/1068517657.db2.gz VNRUTNFCLPEMMU-HXUWFJFHSA-N 0 3 454.368 4.979 20 0 JJADHN CCOc1ccc([C@H](CNC(=O)CN(C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811559 1068533290 /nfs/dbraw/zinc/53/32/90/1068533290.db2.gz QHHOALROPGSKSB-NRFANRHFSA-N 0 3 451.611 4.801 20 0 JJADHN CCN(CC)[C@H](CNC(=O)Cn1c2ccccc2nc1-c1ccccc1)c1cccc(OC)c1 ZINC001463911010 1068562800 /nfs/dbraw/zinc/56/28/00/1068562800.db2.gz DNKAYMFQHJSKNN-AREMUKBSSA-N 0 3 456.590 4.911 20 0 JJADHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001463911707 1068562978 /nfs/dbraw/zinc/56/29/78/1068562978.db2.gz FMNRLFQJCYOTEB-QHCPKHFHSA-N 0 3 459.565 4.915 20 0 JJADHN Cc1sc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100674 1068615513 /nfs/dbraw/zinc/61/55/13/1068615513.db2.gz VQIJJEWNANEUKY-DEOSSOPVSA-N 0 3 451.611 4.971 20 0 JJADHN CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)N1CCc2ccccc2C1 ZINC001464103066 1068616773 /nfs/dbraw/zinc/61/67/73/1068616773.db2.gz XGKUSUIODUXEIM-DNQXCXABSA-N 0 3 457.659 4.803 20 0 JJADHN CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC001464103375 1068616852 /nfs/dbraw/zinc/61/68/52/1068616852.db2.gz YIOOIWWBVOWOGW-ZEQRLZLVSA-N 0 3 451.611 4.514 20 0 JJADHN Cc1cccc(C2(C(=O)NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1 ZINC001464120201 1068621878 /nfs/dbraw/zinc/62/18/78/1068621878.db2.gz JNCDLOWCFMPWIM-UHFFFAOYSA-N 0 3 459.556 4.764 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc2)CC1 ZINC001464157846 1068636989 /nfs/dbraw/zinc/63/69/89/1068636989.db2.gz JBDVOSHJAIHQLI-UHFFFAOYSA-N 0 3 454.058 4.996 20 0 JJADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC001464284479 1068691485 /nfs/dbraw/zinc/69/14/85/1068691485.db2.gz XLDJPSCULICNEH-UHFFFAOYSA-N 0 3 453.936 4.687 20 0 JJADHN C[C@H](C(=O)N(CCc1ccccc1)CCN(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299949 1068696978 /nfs/dbraw/zinc/69/69/78/1068696978.db2.gz QPAKBJDQYAUHFJ-URXFXBBRSA-N 0 3 453.627 4.521 20 0 JJADHN C[C@@H](C(=O)N(CCc1ccccc1)CCN(C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299983 1068697651 /nfs/dbraw/zinc/69/76/51/1068697651.db2.gz QPAKBJDQYAUHFJ-ZJSXRUAMSA-N 0 3 453.627 4.521 20 0 JJADHN Cc1nc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)sc1Cc1ccc(F)cc1 ZINC001464307098 1068699604 /nfs/dbraw/zinc/69/96/04/1068699604.db2.gz AUSFPRZVUFTELD-UHFFFAOYSA-N 0 3 453.583 4.638 20 0 JJADHN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CN2CCCCC2)c1 ZINC001464375207 1068723594 /nfs/dbraw/zinc/72/35/94/1068723594.db2.gz CNHFTVABHSOQMP-HXUWFJFHSA-N 0 3 456.428 4.691 20 0 JJADHN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cccc(CN2CCCCC2)c1 ZINC001464375200 1068723686 /nfs/dbraw/zinc/72/36/86/1068723686.db2.gz CNHFTVABHSOQMP-FQEVSTJZSA-N 0 3 456.428 4.691 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399593 1068733160 /nfs/dbraw/zinc/73/31/60/1068733160.db2.gz LFYJOACFXYNWFZ-WXFUMESZSA-N 0 3 455.643 4.754 20 0 JJADHN CC1CCN([C@@H](CNC(=O)COc2ccccc2OCC(F)(F)F)c2ccccc2)CC1 ZINC001464405210 1068734687 /nfs/dbraw/zinc/73/46/87/1068734687.db2.gz XRGJDLOGKPLNLE-FQEVSTJZSA-N 0 3 450.501 4.596 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)C12CCC(C(=O)OC)(CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001464492160 1068765111 /nfs/dbraw/zinc/76/51/11/1068765111.db2.gz IORZYCHABUJLJA-BVVFMGSASA-N 0 3 454.533 4.718 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)N2CCCC2)cc1 ZINC001464583686 1068791331 /nfs/dbraw/zinc/79/13/31/1068791331.db2.gz JVMBMIFBEQSYPL-IBGZPJMESA-N 0 3 453.384 4.715 20 0 JJADHN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCCN(CCCc2ccccc2)CC1 ZINC001464667383 1068817970 /nfs/dbraw/zinc/81/79/70/1068817970.db2.gz NIVQETXZKVBGHZ-UHFFFAOYSA-N 0 3 457.405 4.960 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC2)CC1 ZINC001164616470 719034114 /nfs/dbraw/zinc/03/41/14/719034114.db2.gz CWIIKWUQHASBOB-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)c2c1CCNC2 ZINC001164680191 719645006 /nfs/dbraw/zinc/64/50/06/719645006.db2.gz RVPJUIQXWGTQPH-UHFFFAOYSA-N 0 3 475.971 4.594 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3CNCC4)cnc2Cl)c1 ZINC001164684398 719653169 /nfs/dbraw/zinc/65/31/69/719653169.db2.gz XGVQKHCOKDZLAZ-UHFFFAOYSA-N 0 3 459.972 4.990 20 0 JJADHN COc1cccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3CNCC4)cnc2Cl)c1 ZINC001164681889 719653911 /nfs/dbraw/zinc/65/39/11/719653911.db2.gz SBLHKIYDGJFFSN-UHFFFAOYSA-N 0 3 475.971 4.691 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725619 720359911 /nfs/dbraw/zinc/35/99/11/720359911.db2.gz OKGRWNQHSOGERA-RPBOFIJWSA-N 0 3 455.537 4.693 20 0 JJADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730926 720433365 /nfs/dbraw/zinc/43/33/65/720433365.db2.gz JUBFXCZRUVUPTN-YADHBBJMSA-N 0 3 468.630 4.880 20 0 JJADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164731519 720440958 /nfs/dbraw/zinc/44/09/58/720440958.db2.gz LKWVYERWTGUIKD-DHIUTWEWSA-N 0 3 488.705 4.804 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838844 720737790 /nfs/dbraw/zinc/73/77/90/720737790.db2.gz YJSZSFWYQYQQMG-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773810 721127606 /nfs/dbraw/zinc/12/76/06/721127606.db2.gz ZCZNQRYGQWINOS-LEWJYISDSA-N 0 3 458.997 4.642 20 0 JJADHN Clc1ccc(-c2cc3ncnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878430 721142897 /nfs/dbraw/zinc/14/28/97/721142897.db2.gz QCLLJDPUEDWNMH-RTWAWAEBSA-N 0 3 478.021 4.886 20 0 JJADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870321 721167668 /nfs/dbraw/zinc/16/76/68/721167668.db2.gz CNFHURPKLZXYDP-PKTZIBPZSA-N 0 3 476.024 4.551 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767649 721171291 /nfs/dbraw/zinc/17/12/91/721171291.db2.gz KHMGGSPMTIGESS-MOPGFXCFSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@H]3C2)cn1 ZINC001164774411 721176226 /nfs/dbraw/zinc/17/62/26/721176226.db2.gz YZXVLQWLHGPQFB-DHIUTWEWSA-N 0 3 494.039 4.529 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766983 721194225 /nfs/dbraw/zinc/19/42/25/721194225.db2.gz JVAORFUKCNFCHA-OALUTQOASA-N 0 3 465.026 4.704 20 0 JJADHN Cc1ccc(-c2nnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c3ccccc32)cc1C ZINC001164766017 721197677 /nfs/dbraw/zinc/19/76/77/721197677.db2.gz IUVFLOQUEVWQFR-BJKOFHAPSA-N 0 3 452.606 4.605 20 0 JJADHN Cc1ccc(-c2nnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164766045 721197891 /nfs/dbraw/zinc/19/78/91/721197891.db2.gz IUVFLOQUEVWQFR-ZEQRLZLVSA-N 0 3 452.606 4.605 20 0 JJADHN Cc1sc2nc(-c3cccs3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164763382 721201141 /nfs/dbraw/zinc/20/11/41/721201141.db2.gz FQZFWEOZKGBZAY-RBUKOAKNSA-N 0 3 464.664 4.728 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765102 721218676 /nfs/dbraw/zinc/21/86/76/721218676.db2.gz HUHYXMAIBFBGPX-AZUAARDMSA-N 0 3 490.702 4.990 20 0 JJADHN C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CCN(Cc6ccccn6)C5)C4)c23)C1 ZINC001164905361 721703235 /nfs/dbraw/zinc/70/32/35/721703235.db2.gz ISUPSGDASOPVLH-BXKMTCNYSA-N 0 3 469.605 4.949 20 0 JJADHN Fc1ccc2nc(C(F)F)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913539 721732618 /nfs/dbraw/zinc/73/26/18/721732618.db2.gz WWUICJDMGAOQIB-QFIPXVFZSA-N 0 3 463.454 4.839 20 0 JJADHN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964561 722054467 /nfs/dbraw/zinc/05/44/67/722054467.db2.gz VMZQLYLGSXZJCO-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963295 722057802 /nfs/dbraw/zinc/05/78/02/722057802.db2.gz VUSIOLHJEKHTLF-UHFFFAOYSA-N 0 3 472.967 4.947 20 0 JJADHN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984713 722106423 /nfs/dbraw/zinc/10/64/23/722106423.db2.gz UDGMJYSBFYJBHA-UZLBHIALSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973352 722110090 /nfs/dbraw/zinc/11/00/90/722110090.db2.gz HDGWZCVVLMOHAI-OXJNMPFZSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971027 722111584 /nfs/dbraw/zinc/11/15/84/722111584.db2.gz BBZIBHHGUCJEMW-UGKGYDQZSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977439 722111807 /nfs/dbraw/zinc/11/18/07/722111807.db2.gz NBOCDJWJWYICLB-UGKGYDQZSA-N 0 3 458.940 4.555 20 0 JJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975170 722129523 /nfs/dbraw/zinc/12/95/23/722129523.db2.gz FGAAFGPKTTZEDL-DYESRHJHSA-N 0 3 473.404 4.673 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972603 722139038 /nfs/dbraw/zinc/13/90/38/722139038.db2.gz AEOWXQCTLXMBBC-SHQCIBLASA-N 0 3 465.601 4.728 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1F ZINC001164980268 722140887 /nfs/dbraw/zinc/14/08/87/722140887.db2.gz MJLXAUFQQAJQHH-HFZDXXHNSA-N 0 3 487.554 4.697 20 0 JJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164980266 722141481 /nfs/dbraw/zinc/14/14/81/722141481.db2.gz MITYTUGLKATBKA-GJZUVCINSA-N 0 3 469.564 4.558 20 0 JJADHN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976034 722143114 /nfs/dbraw/zinc/14/31/14/722143114.db2.gz GRIIOCHNLCRHOA-XLIONFOSSA-N 0 3 491.995 4.526 20 0 JJADHN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976035 722143350 /nfs/dbraw/zinc/14/33/50/722143350.db2.gz GRIIOCHNLCRHOA-YLJYHZDGSA-N 0 3 491.995 4.526 20 0 JJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984257 722145424 /nfs/dbraw/zinc/14/54/24/722145424.db2.gz XATMAUYURSOCBL-XUZZJYLKSA-N 0 3 471.630 4.789 20 0 JJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976031 722148678 /nfs/dbraw/zinc/14/86/78/722148678.db2.gz GLEVAGWYHYPRJR-UGKGYDQZSA-N 0 3 458.940 4.555 20 0 JJADHN Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977143 722154432 /nfs/dbraw/zinc/15/44/32/722154432.db2.gz XOJLNBVONLENNE-AVRDEDQJSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971671 722154933 /nfs/dbraw/zinc/15/49/33/722154933.db2.gz CXKCKCIYXQRMSN-AVRDEDQJSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973851 722155653 /nfs/dbraw/zinc/15/56/53/722155653.db2.gz NCGMUYYYOGTGCF-PGRDOPGGSA-N 0 3 486.403 4.698 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972113 722157999 /nfs/dbraw/zinc/15/79/99/722157999.db2.gz FRXVGZYVRVOGBR-AVRDEDQJSA-N 0 3 474.939 4.662 20 0 JJADHN CCOC(=O)c1sc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164993843 722191023 /nfs/dbraw/zinc/19/10/23/722191023.db2.gz IDEKLTBNYOOENV-DEOSSOPVSA-N 0 3 454.571 4.560 20 0 JJADHN CCOC(=O)c1sc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164993850 722191140 /nfs/dbraw/zinc/19/11/40/722191140.db2.gz IDEKLTBNYOOENV-XMMPIXPASA-N 0 3 454.571 4.560 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001434880361 1064312791 /nfs/dbraw/zinc/31/27/91/1064312791.db2.gz CBBSMMPXFUXMRL-SIKLNZKXSA-N 0 3 451.014 4.945 20 0 JJADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880337 1064313091 /nfs/dbraw/zinc/31/30/91/1064313091.db2.gz BBGZRJBPBFTGBJ-IQNSKSLUSA-N 0 3 455.643 4.658 20 0 JJADHN CC(C)[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001359745239 1064318718 /nfs/dbraw/zinc/31/87/18/1064318718.db2.gz DBBIUCNVBNRQFE-QHCPKHFHSA-N 0 3 496.744 4.663 20 0 JJADHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCN2CC=CCC2)CCS1 ZINC001359746309 1064323628 /nfs/dbraw/zinc/32/36/28/1064323628.db2.gz DBGMHXUJZYMOKQ-FQEVSTJZSA-N 0 3 476.488 4.547 20 0 JJADHN O=C(Cc1c(Cl)cccc1Br)Nc1ccc(CCN2CCSCC2)cc1 ZINC001434921864 1064349831 /nfs/dbraw/zinc/34/98/31/1064349831.db2.gz MIUNXSVHQHRZER-UHFFFAOYSA-N 0 3 453.833 4.875 20 0 JJADHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)ccn1Cc1ccccc1 ZINC001435062757 1064480842 /nfs/dbraw/zinc/48/08/42/1064480842.db2.gz GPYCEBFMXWYLJK-UHFFFAOYSA-N 0 3 454.412 4.811 20 0 JJADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001435062886 1064481743 /nfs/dbraw/zinc/48/17/43/1064481743.db2.gz JCKKZOQVBJCKLE-UHFFFAOYSA-N 0 3 452.549 4.759 20 0 JJADHN CCOc1ccc([C@@]2(C(=O)N(CCN(C)C)Cc3cccc(F)c3)CC2(Cl)Cl)cc1 ZINC001435080047 1064501984 /nfs/dbraw/zinc/50/19/84/1064501984.db2.gz MTHLLOAEORYASY-JOCHJYFZSA-N 0 3 453.385 4.630 20 0 JJADHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1Cl ZINC001359846847 1064532990 /nfs/dbraw/zinc/53/29/90/1064532990.db2.gz CDIZWMJEMWFZOG-UHFFFAOYSA-N 0 3 453.808 4.634 20 0 JJADHN CCc1cc(OCC(=O)N(CCN(C)C)Cc2ccc(Br)cc2)ccc1Cl ZINC001359847809 1064534449 /nfs/dbraw/zinc/53/44/49/1064534449.db2.gz XUKHINAXPFUBBN-UHFFFAOYSA-N 0 3 453.808 4.634 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSCc1ccc(Br)cc1 ZINC001359851176 1064538309 /nfs/dbraw/zinc/53/83/09/1064538309.db2.gz FWPLMSCLZXAPHD-UHFFFAOYSA-N 0 3 457.384 4.551 20 0 JJADHN CSc1cccc(N(C(=O)c2ccc3c(Br)cnn3c2)C2CCN(C)CC2)c1 ZINC001435150184 1064550339 /nfs/dbraw/zinc/55/03/39/1064550339.db2.gz SJVQKRWBIXXOIR-UHFFFAOYSA-N 0 3 459.413 4.560 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(-c3ccc(Br)cc3)n2C)c1 ZINC001359870662 1064562753 /nfs/dbraw/zinc/56/27/53/1064562753.db2.gz LKRQBHKNCXQEEX-UHFFFAOYSA-N 0 3 454.412 4.967 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@H]1CCCN(C)C1 ZINC001435188698 1064577762 /nfs/dbraw/zinc/57/77/62/1064577762.db2.gz NSRHEIXFXFXQKW-KRWDZBQOSA-N 0 3 453.892 4.777 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001435207475 1064592524 /nfs/dbraw/zinc/59/25/24/1064592524.db2.gz QCPDCQQSFCYOLK-LJQANCHMSA-N 0 3 451.014 4.808 20 0 JJADHN CC(C)CCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001359903034 1064617222 /nfs/dbraw/zinc/61/72/22/1064617222.db2.gz YMDCVRPYLFOMCN-RTWAWAEBSA-N 0 3 476.065 4.666 20 0 JJADHN CC(C)CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001359921538 1064647640 /nfs/dbraw/zinc/64/76/40/1064647640.db2.gz LMNCBIQOUWXZFN-UHFFFAOYSA-N 0 3 479.138 4.732 20 0 JJADHN CC(C)CN(c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(F)cc1)N(C)C)C1CCCC1 ZINC001359987734 1064768746 /nfs/dbraw/zinc/76/87/46/1064768746.db2.gz VPJRGJMYUVYRLV-QHCPKHFHSA-N 0 3 453.610 4.526 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 ZINC001360015777 1064814624 /nfs/dbraw/zinc/81/46/24/1064814624.db2.gz SLPSHWNUGKZSQI-OAQYLSRUSA-N 0 3 473.637 4.542 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCC2CCOCC2)CC1 ZINC001360015775 1064814830 /nfs/dbraw/zinc/81/48/30/1064814830.db2.gz SLPSHWNUGKZSQI-NRFANRHFSA-N 0 3 473.637 4.542 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@H]2CCCCO2)CC1 ZINC001360018406 1064819328 /nfs/dbraw/zinc/81/93/28/1064819328.db2.gz ONUTXWPQNSWEEM-JOCHJYFZSA-N 0 3 490.490 4.835 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360018626 1064820121 /nfs/dbraw/zinc/82/01/21/1064820121.db2.gz UABBZDAKABPEKW-FGZHOGPDSA-N 0 3 453.675 4.836 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360018624 1064820157 /nfs/dbraw/zinc/82/01/57/1064820157.db2.gz UABBZDAKABPEKW-FCHUYYIVSA-N 0 3 453.675 4.836 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c(F)cccc2Cl)CC1 ZINC001360018408 1064820217 /nfs/dbraw/zinc/82/02/17/1064820217.db2.gz OPONCKTVXBZYEA-UHFFFAOYSA-N 0 3 495.828 4.655 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCSC2)CC1 ZINC001360019039 1064821793 /nfs/dbraw/zinc/82/17/93/1064821793.db2.gz YOYYYMDFTYECHK-MRXNPFEDSA-N 0 3 484.533 4.690 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3F)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001360021802 1064825486 /nfs/dbraw/zinc/82/54/86/1064825486.db2.gz RZKFEAHEFIGMND-UHFFFAOYSA-N 0 3 492.430 4.676 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc4cccc(Br)c4n3)cc2)CC1 ZINC001435557991 1064829872 /nfs/dbraw/zinc/82/98/72/1064829872.db2.gz NGRJHCOYKHVMMB-UHFFFAOYSA-N 0 3 453.384 4.780 20 0 JJADHN O=C(c1ccc(Br)cn1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001360028539 1064830351 /nfs/dbraw/zinc/83/03/51/1064830351.db2.gz LDVNPIDGQMXDTM-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360029406 1064830947 /nfs/dbraw/zinc/83/09/47/1064830947.db2.gz QPTDDGQRLLFKCK-NRFANRHFSA-N 0 3 453.528 4.630 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360029827 1064831824 /nfs/dbraw/zinc/83/18/24/1064831824.db2.gz ANTAPXMEOUMAJW-HSZRJFAPSA-N 0 3 490.549 4.663 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360030157 1064831977 /nfs/dbraw/zinc/83/19/77/1064831977.db2.gz DYJJVVUPAYLPPQ-LJQANCHMSA-N 0 3 473.637 4.865 20 0 JJADHN Cc1ccc(-n2nc(C(=O)N(CCN(C)C)Cc3ccc(F)c(F)c3)c3c2CCCC3)cc1 ZINC001360031630 1064833753 /nfs/dbraw/zinc/83/37/53/1064833753.db2.gz BTDNAGJYOQLZHT-UHFFFAOYSA-N 0 3 452.549 4.542 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ccc(F)cn2)CC1 ZINC001360032231 1064834637 /nfs/dbraw/zinc/83/46/37/1064834637.db2.gz TYVLOXIUKBVYTB-UHFFFAOYSA-N 0 3 480.632 4.515 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001435599826 1064864372 /nfs/dbraw/zinc/86/43/72/1064864372.db2.gz BZBOUFUZBIQEPO-SFHVURJKSA-N 0 3 459.377 4.963 20 0 JJADHN Cc1cc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435613228 1064875987 /nfs/dbraw/zinc/87/59/87/1064875987.db2.gz BNLQYRQNCJQRSF-RJGXRXQPSA-N 0 3 481.641 4.661 20 0 JJADHN CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC001360050577 1064876139 /nfs/dbraw/zinc/87/61/39/1064876139.db2.gz WRWXIKXUIFQVAD-JOCHJYFZSA-N 0 3 483.701 4.639 20 0 JJADHN Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435614046 1064877519 /nfs/dbraw/zinc/87/75/19/1064877519.db2.gz RCIMQFNLEAYYQZ-ISKFKSNPSA-N 0 3 452.002 4.533 20 0 JJADHN Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435614048 1064877808 /nfs/dbraw/zinc/87/78/08/1064877808.db2.gz RCIMQFNLEAYYQZ-UPVQGACJSA-N 0 3 452.002 4.533 20 0 JJADHN Cc1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c(C)cc1Br ZINC001435616532 1064878360 /nfs/dbraw/zinc/87/83/60/1064878360.db2.gz DLRDGZPIISLJAO-LJQANCHMSA-N 0 3 453.384 4.962 20 0 JJADHN CC(C)COc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360055375 1064884921 /nfs/dbraw/zinc/88/49/21/1064884921.db2.gz SCLJYQNKJFYKFN-XMMPIXPASA-N 0 3 469.674 4.771 20 0 JJADHN O=C(NCC1(CC(=O)N2CCN(C3CCCCC3)CC2)CCCCC1)OCc1ccccc1 ZINC001435628642 1064890248 /nfs/dbraw/zinc/89/02/48/1064890248.db2.gz GRIKIEYKHWNUNY-UHFFFAOYSA-N 0 3 455.643 4.730 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001360066247 1064909036 /nfs/dbraw/zinc/90/90/36/1064909036.db2.gz LXYMCPKJFGFAMK-PMACEKPBSA-N 0 3 459.685 4.546 20 0 JJADHN CC(C)COCCCn1c(-c2ccccc2Br)nnc1N1CCN(C2CCCC2)CC1 ZINC001360069585 1064914846 /nfs/dbraw/zinc/91/48/46/1064914846.db2.gz ODIICBBGOBSLLP-UHFFFAOYSA-N 0 3 490.490 4.835 20 0 JJADHN CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001360082779 1064942715 /nfs/dbraw/zinc/94/27/15/1064942715.db2.gz MFAJDPSZTFPFDR-UHFFFAOYSA-N 0 3 478.106 4.536 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805702 1065001708 /nfs/dbraw/zinc/00/17/08/1065001708.db2.gz QVKKHYLNRUCMIT-KPZWWZAWSA-N 0 3 459.281 4.857 20 0 JJADHN CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001360120192 1065007751 /nfs/dbraw/zinc/00/77/51/1065007751.db2.gz YBGGCIZOUUPEPX-NZQKXSOJSA-N 0 3 455.578 4.622 20 0 JJADHN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001360120193 1065007819 /nfs/dbraw/zinc/00/78/19/1065007819.db2.gz YBGGCIZOUUPEPX-OFNKIYASSA-N 0 3 455.578 4.622 20 0 JJADHN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875311 1065038191 /nfs/dbraw/zinc/03/81/91/1065038191.db2.gz GMAHBQAYNRTKJM-MHZLTWQESA-N 0 3 459.659 4.666 20 0 JJADHN CC(C)N1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001360143340 1065043791 /nfs/dbraw/zinc/04/37/91/1065043791.db2.gz DXLSPIOFSNXUKW-XIFFEERXSA-N 0 3 473.731 4.710 20 0 JJADHN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001435888825 1065046196 /nfs/dbraw/zinc/04/61/96/1065046196.db2.gz FYMMTYSKGGMBJZ-DZSVRRGNSA-N 0 3 452.904 4.693 20 0 JJADHN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890762 1065048223 /nfs/dbraw/zinc/04/82/23/1065048223.db2.gz SFJBDWZVPPHHOC-HHHXNRCGSA-N 0 3 458.558 4.702 20 0 JJADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156010 1065057270 /nfs/dbraw/zinc/05/72/70/1065057270.db2.gz NJWGRXMHAMKGQE-FCHUYYIVSA-N 0 3 480.692 4.687 20 0 JJADHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001435933519 1065070218 /nfs/dbraw/zinc/07/02/18/1065070218.db2.gz HTABHMAGILPZFM-DEOSSOPVSA-N 0 3 459.512 4.528 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)c2)CC1 ZINC001435972953 1065087681 /nfs/dbraw/zinc/08/76/81/1065087681.db2.gz BRIZUYXRNBHLSL-UHFFFAOYSA-N 0 3 458.484 4.570 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995438 1065098813 /nfs/dbraw/zinc/09/88/13/1065098813.db2.gz RNYDSNQVOUMXBR-VWLOTQADSA-N 0 3 456.590 4.800 20 0 JJADHN CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001360275059 1065115917 /nfs/dbraw/zinc/11/59/17/1065115917.db2.gz WXOCSFYCEJEYLZ-OAQYLSRUSA-N 0 3 482.698 4.568 20 0 JJADHN C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056784 1065149252 /nfs/dbraw/zinc/14/92/52/1065149252.db2.gz SSJVUGDFWVUBAJ-YVEFUNNKSA-N 0 3 451.436 4.794 20 0 JJADHN Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@H]4N(C)CCCC4(C)C)c23)cc1 ZINC001436155039 1065218721 /nfs/dbraw/zinc/21/87/21/1065218721.db2.gz BEQYYZNCIIALRG-LJQANCHMSA-N 0 3 454.665 4.995 20 0 JJADHN CCCN(C)[C@H](CNC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1 ZINC001436198247 1065245764 /nfs/dbraw/zinc/24/57/64/1065245764.db2.gz VZKCSKQZUNKLNM-GOSISDBHSA-N 0 3 457.771 4.820 20 0 JJADHN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001360428123 1065300320 /nfs/dbraw/zinc/30/03/20/1065300320.db2.gz CSBMOCUTVHSFDL-FOIQADDNSA-N 0 3 471.581 4.519 20 0 JJADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C ZINC001360433431 1065311730 /nfs/dbraw/zinc/31/17/30/1065311730.db2.gz RDKSKZNPHKDPGH-SLYNCCJLSA-N 0 3 457.619 4.873 20 0 JJADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C ZINC001360433432 1065311789 /nfs/dbraw/zinc/31/17/89/1065311789.db2.gz RDKSKZNPHKDPGH-YFVAEKQCSA-N 0 3 457.619 4.873 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC001436429380 1065317268 /nfs/dbraw/zinc/31/72/68/1065317268.db2.gz DUJLRBDFJVTTKE-VPUSJEBWSA-N 0 3 450.623 4.660 20 0 JJADHN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360452336 1065345304 /nfs/dbraw/zinc/34/53/04/1065345304.db2.gz KEILOQXYMCTTCM-XMSQKQJNSA-N 0 3 464.614 4.965 20 0 JJADHN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360452333 1065345326 /nfs/dbraw/zinc/34/53/26/1065345326.db2.gz KEILOQXYMCTTCM-AVRDEDQJSA-N 0 3 464.614 4.965 20 0 JJADHN C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360452335 1065345384 /nfs/dbraw/zinc/34/53/84/1065345384.db2.gz KEILOQXYMCTTCM-PGRDOPGGSA-N 0 3 464.614 4.965 20 0 JJADHN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001360454221 1065350579 /nfs/dbraw/zinc/35/05/79/1065350579.db2.gz FUAVZSMVQMVHOV-XXBNENTESA-N 0 3 499.681 4.650 20 0 JJADHN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360503389 1065431502 /nfs/dbraw/zinc/43/15/02/1065431502.db2.gz KFIUFSRFMCYNEU-WMZHIEFXSA-N 0 3 476.650 4.868 20 0 JJADHN COc1ccc(-c2cc(C(=O)NC[C@@H](C)N(C)Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC001360511864 1065458287 /nfs/dbraw/zinc/45/82/87/1065458287.db2.gz WAMCHBMDNPXEPP-OAQYLSRUSA-N 0 3 454.574 4.798 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)CSc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC001437380618 1065545440 /nfs/dbraw/zinc/54/54/40/1065545440.db2.gz FPONJQUZIGMLOZ-UHFFFAOYSA-N 0 3 455.668 4.731 20 0 JJADHN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)N(C)C1CC1 ZINC001360570990 1065565086 /nfs/dbraw/zinc/56/50/86/1065565086.db2.gz XVZNLBFDFIJBIU-AZUAARDMSA-N 0 3 455.622 4.588 20 0 JJADHN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N(C)C1CC1 ZINC001360570991 1065565184 /nfs/dbraw/zinc/56/51/84/1065565184.db2.gz XVZNLBFDFIJBIU-ICSRJNTNSA-N 0 3 455.622 4.588 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001545907395 1065565590 /nfs/dbraw/zinc/56/55/90/1065565590.db2.gz HSVGUSKVHHLWJB-ZEQRLZLVSA-N 0 3 498.741 4.583 20 0 JJADHN C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360578435 1065574104 /nfs/dbraw/zinc/57/41/04/1065574104.db2.gz IYPHKPKRIZVDEG-SFHVURJKSA-N 0 3 474.074 4.972 20 0 JJADHN CN(Cc1ccc2nc(NC(=O)C(=O)c3ccc(Br)s3)sc2c1)C1CC1 ZINC001437562312 1065577326 /nfs/dbraw/zinc/57/73/26/1065577326.db2.gz XGEXBWSYSNKAMJ-UHFFFAOYSA-N 0 3 450.383 4.536 20 0 JJADHN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001438455989 1065722007 /nfs/dbraw/zinc/72/20/07/1065722007.db2.gz DSIAWUSJDCFRGB-RZUBCFFCSA-N 0 3 452.904 4.741 20 0 JJADHN CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001360654073 1065725797 /nfs/dbraw/zinc/72/57/97/1065725797.db2.gz BZHKYYPVPKJZPW-LJQANCHMSA-N 0 3 451.592 4.714 20 0 JJADHN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001360658756 1065727598 /nfs/dbraw/zinc/72/75/98/1065727598.db2.gz PEHVVUGLJLIJSY-GGAORHGYSA-N 0 3 458.002 4.548 20 0 JJADHN COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1 ZINC001360658796 1065728619 /nfs/dbraw/zinc/72/86/19/1065728619.db2.gz PTBCVCBSWUBSDP-XMMPIXPASA-N 0 3 451.611 4.603 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCC(F)(F)F ZINC001360749093 1065791717 /nfs/dbraw/zinc/79/17/17/1065791717.db2.gz LLHCYJKGSFHQRA-MRXNPFEDSA-N 0 3 457.516 4.820 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1CC1CCC(C(F)(F)F)CC1 ZINC001545922524 1065826597 /nfs/dbraw/zinc/82/65/97/1065826597.db2.gz KAFKZGQZIRGPOQ-UHFFFAOYSA-N 0 3 498.638 4.630 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C ZINC001360764799 1065846375 /nfs/dbraw/zinc/84/63/75/1065846375.db2.gz FMNZOZWZHTVPID-ZVDOUQERSA-N 0 3 487.645 4.784 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCc2cccs2)n1CCN1CCCCC1 ZINC001360766887 1065854558 /nfs/dbraw/zinc/85/45/58/1065854558.db2.gz FQYXBSLKQHUPHZ-LJQANCHMSA-N 0 3 457.619 4.784 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001360773804 1065872325 /nfs/dbraw/zinc/87/23/25/1065872325.db2.gz LRGVHXFOPFHLKR-GOSISDBHSA-N 0 3 499.553 4.938 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360774797 1065874772 /nfs/dbraw/zinc/87/47/72/1065874772.db2.gz SZVHUPSDCHXOJU-HRFSGMKKSA-N 0 3 487.664 4.809 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1CC(C)(C)C(C)C ZINC001545925412 1065879283 /nfs/dbraw/zinc/87/92/83/1065879283.db2.gz LEIQWOQBWBVBLJ-UHFFFAOYSA-N 0 3 460.711 4.581 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001545925532 1065881564 /nfs/dbraw/zinc/88/15/64/1065881564.db2.gz PCQIMGFRSCMATK-FQEVSTJZSA-N 0 3 486.680 4.698 20 0 JJADHN CN1CCCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887913 1065889273 /nfs/dbraw/zinc/88/92/73/1065889273.db2.gz GBUWFOQVSWPJGY-FQEVSTJZSA-N 0 3 453.384 4.516 20 0 JJADHN CC1(C)CCN(CCNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC001440036948 1065905964 /nfs/dbraw/zinc/90/59/64/1065905964.db2.gz YCQOZLULARWOJO-UHFFFAOYSA-N 0 3 457.043 4.678 20 0 JJADHN CCN(CC)CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC001440137562 1065914747 /nfs/dbraw/zinc/91/47/47/1065914747.db2.gz BDVPSPQLKASFFN-LJQANCHMSA-N 0 3 457.423 4.600 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(C)CCCO2)CC1 ZINC001360844212 1065952754 /nfs/dbraw/zinc/95/27/54/1065952754.db2.gz UCTMFTKFOLJQJN-QHCPKHFHSA-N 0 3 482.456 4.654 20 0 JJADHN Cc1ccccc1-c1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c2cnn(C(C)C)c2n1 ZINC001440665021 1065960672 /nfs/dbraw/zinc/96/06/72/1065960672.db2.gz HEZNTMNDJPNVFT-JOCHJYFZSA-N 0 3 455.606 4.890 20 0 JJADHN CN(C)[C@H](CNC(=O)c1csc(-c2cc(Br)cs2)n1)Cc1ccccc1 ZINC001440666842 1065961042 /nfs/dbraw/zinc/96/10/42/1065961042.db2.gz RYFLCNZHUUHBFJ-HNNXBMFYSA-N 0 3 450.427 4.537 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001360851845 1065966079 /nfs/dbraw/zinc/96/60/79/1065966079.db2.gz SIALXSDIUKUNQA-FQEVSTJZSA-N 0 3 473.394 4.594 20 0 JJADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001440742245 1065974350 /nfs/dbraw/zinc/97/43/50/1065974350.db2.gz BICMGRWPJWYFHG-IZZNHLLZSA-N 0 3 454.058 4.938 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1cccc(OC)c1 ZINC001440884878 1065989951 /nfs/dbraw/zinc/98/99/51/1065989951.db2.gz ZOBIEISKJZAMMV-NRFANRHFSA-N 0 3 450.501 4.825 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001360872876 1066007054 /nfs/dbraw/zinc/00/70/54/1066007054.db2.gz AMNKUGAUTHIRDU-LOSJGSFVSA-N 0 3 496.744 4.933 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873275 1066008473 /nfs/dbraw/zinc/00/84/73/1066008473.db2.gz GGFZKJDSBFTKGG-JWQCQUIFSA-N 0 3 482.717 4.686 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(SC(F)(F)F)c3)CC2)c1 ZINC001441234888 1066017530 /nfs/dbraw/zinc/01/75/30/1066017530.db2.gz AJAWOAIRYDZFES-UHFFFAOYSA-N 0 3 451.558 4.939 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360876802 1066020922 /nfs/dbraw/zinc/02/09/22/1066020922.db2.gz BKYFLCQHKZGPKA-WXVAWEFUSA-N 0 3 469.674 4.507 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CC[C@H](F)C2)c1C ZINC001360876872 1066021650 /nfs/dbraw/zinc/02/16/50/1066021650.db2.gz CFHCHHGAFWCOKZ-ZLNRFVROSA-N 0 3 457.638 4.951 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)c1ccccc1 ZINC001441330194 1066029359 /nfs/dbraw/zinc/02/93/59/1066029359.db2.gz ZHVOJYMFLITWIB-UHFFFAOYSA-N 0 3 455.471 4.516 20 0 JJADHN Cc1ccc(NC(=O)c2nnc(N3CCC(C)=C(C)C3)n2CCN2CCCC(C)(C)C2)cc1C ZINC001360881387 1066034635 /nfs/dbraw/zinc/03/46/35/1066034635.db2.gz KSPSFGJFEZUYST-UHFFFAOYSA-N 0 3 464.658 4.816 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062409 1066088614 /nfs/dbraw/zinc/08/86/14/1066088614.db2.gz LTOMFMHPTWVMCV-IFMALSPDSA-N 0 3 457.412 4.905 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)c2ccccc2)CC1 ZINC001442071316 1066089708 /nfs/dbraw/zinc/08/97/08/1066089708.db2.gz JKXUJJPEJJYDSX-PKTZIBPZSA-N 0 3 455.643 4.613 20 0 JJADHN Cc1occc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C ZINC001360944903 1066099896 /nfs/dbraw/zinc/09/98/96/1066099896.db2.gz NMQJQDKUKYGSMB-NRFANRHFSA-N 0 3 453.587 4.910 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)N(C)C ZINC001360947048 1066101950 /nfs/dbraw/zinc/10/19/50/1066101950.db2.gz WZHTXBZIMUPOLD-FQEVSTJZSA-N 0 3 452.653 4.635 20 0 JJADHN C[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264363 1066110216 /nfs/dbraw/zinc/11/02/16/1066110216.db2.gz MOPHDNDEEOBCCE-JVODISISSA-N 0 3 451.611 4.840 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2ccc(COc3cccc(Br)c3)o2)N(C)C)cc1 ZINC001442470613 1066128469 /nfs/dbraw/zinc/12/84/69/1066128469.db2.gz FUAWLIZFFNDZDJ-NRFANRHFSA-N 0 3 457.368 4.962 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)N(C)C)cc1 ZINC001442475850 1066130387 /nfs/dbraw/zinc/13/03/87/1066130387.db2.gz NXQAGEKZPGRAGS-NRFANRHFSA-N 0 3 454.368 4.978 20 0 JJADHN Cc1ccsc1Cn1c(COc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360977160 1066134254 /nfs/dbraw/zinc/13/42/54/1066134254.db2.gz GVFLVQMKDQGCCM-UHFFFAOYSA-N 0 3 471.646 4.973 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)N2CCCC2)cc1 ZINC001442596346 1066142829 /nfs/dbraw/zinc/14/28/29/1066142829.db2.gz WCISGDZLIUBFOA-DEOSSOPVSA-N 0 3 451.611 4.629 20 0 JJADHN CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1)N1CCc2ccccc2C1 ZINC001545950958 1066153120 /nfs/dbraw/zinc/15/31/20/1066153120.db2.gz ZGFMDXFJAAFRJB-FTBPSBKWSA-N 0 3 453.675 4.880 20 0 JJADHN Cc1ccc2[nH]c(C(=O)N(CCN(C)C)Cc3ccc(F)c(F)c3)cc2c1Br ZINC001442729311 1066156028 /nfs/dbraw/zinc/15/60/28/1066156028.db2.gz RLJQOOUNOFEQRB-UHFFFAOYSA-N 0 3 450.327 4.721 20 0 JJADHN O=C(c1cc(-c2ccccc2O)n[nH]1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442732062 1066156404 /nfs/dbraw/zinc/15/64/04/1066156404.db2.gz WFPCYPVDLDNQBE-UHFFFAOYSA-N 0 3 459.377 4.827 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(C)(C)O ZINC001360992518 1066172060 /nfs/dbraw/zinc/17/20/60/1066172060.db2.gz PCKYVIZDQDGXQM-IBGZPJMESA-N 0 3 478.081 4.770 20 0 JJADHN CN1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@@H]1c1cccs1 ZINC001360996849 1066175474 /nfs/dbraw/zinc/17/54/74/1066175474.db2.gz VDEKASGRTOSNGT-FOIQADDNSA-N 0 3 459.413 4.509 20 0 JJADHN Cc1cc(C(F)(F)F)ccc1Cn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001361008372 1066189326 /nfs/dbraw/zinc/18/93/26/1066189326.db2.gz LLRPBPQDGKOWIA-LJQANCHMSA-N 0 3 479.591 4.542 20 0 JJADHN Cc1cc(C)cc(CCn2c([C@@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001361017360 1066206213 /nfs/dbraw/zinc/20/62/13/1066206213.db2.gz QWWJOQGHBLWHRX-XMMPIXPASA-N 0 3 453.675 4.590 20 0 JJADHN C[C@@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC(c2cccc(Cl)c2F)=NO1 ZINC001442837712 1066229856 /nfs/dbraw/zinc/22/98/56/1066229856.db2.gz GKJDUFTZTQDIGX-VWLOTQADSA-N 0 3 457.977 4.529 20 0 JJADHN CC[C@@H]1CN(C(=O)c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c2CCC3)C[C@H](C)N1 ZINC001454049794 1066240924 /nfs/dbraw/zinc/24/09/24/1066240924.db2.gz DEVOPCCMQPRIGD-SWLSCSKDSA-N 0 3 474.449 4.611 20 0 JJADHN Cc1ccsc1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001361035522 1066254509 /nfs/dbraw/zinc/25/45/09/1066254509.db2.gz FHNJYZZDBTXZLV-UHFFFAOYSA-N 0 3 467.683 4.865 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001361039639 1066261786 /nfs/dbraw/zinc/26/17/86/1066261786.db2.gz OULJSPNBFWSPBV-PZJWPPBQSA-N 0 3 471.696 4.780 20 0 JJADHN Cc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCCOC(C)C)c2ccccc2n1 ZINC001361049430 1066281889 /nfs/dbraw/zinc/28/18/89/1066281889.db2.gz DHORBSRTBWWYPX-UHFFFAOYSA-N 0 3 464.658 4.785 20 0 JJADHN CN(C)Cc1ccccc1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001443427794 1066310190 /nfs/dbraw/zinc/31/01/90/1066310190.db2.gz MDPMLJJCKJDJTG-UHFFFAOYSA-N 0 3 456.409 4.987 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001361088104 1066329445 /nfs/dbraw/zinc/32/94/45/1066329445.db2.gz FTNDZOHLLNSJJR-HXUWFJFHSA-N 0 3 458.050 4.750 20 0 JJADHN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001443723057 1066357067 /nfs/dbraw/zinc/35/70/67/1066357067.db2.gz BLDFXODKDUXEEC-RTWAWAEBSA-N 0 3 455.593 4.513 20 0 JJADHN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962368 1066367960 /nfs/dbraw/zinc/36/79/60/1066367960.db2.gz BIQNLEAADXVTHR-DBXWQHBBSA-N 0 3 455.578 4.762 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361128529 1066392527 /nfs/dbraw/zinc/39/25/27/1066392527.db2.gz YNSXEDDQONGZOD-RUZDIDTESA-N 0 3 496.744 4.940 20 0 JJADHN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461356 1066393396 /nfs/dbraw/zinc/39/33/96/1066393396.db2.gz CNHKUDLJUTZEDM-AMGIVPHBSA-N 0 3 451.630 4.764 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2cccnc2)c1 ZINC001361130481 1066395645 /nfs/dbraw/zinc/39/56/45/1066395645.db2.gz NTEMAMACJIOWOG-UHFFFAOYSA-N 0 3 476.669 4.847 20 0 JJADHN Cc1csc(Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001361130622 1066396234 /nfs/dbraw/zinc/39/62/34/1066396234.db2.gz PIMMVEHZZZAOLF-UHFFFAOYSA-N 0 3 482.698 4.880 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)N(C)C)cc1 ZINC001361140763 1066418707 /nfs/dbraw/zinc/41/87/07/1066418707.db2.gz GJWUTHXDNRVDRV-GOTSBHOMSA-N 0 3 482.673 4.808 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001361140848 1066418755 /nfs/dbraw/zinc/41/87/55/1066418755.db2.gz HPRUENGQSBUULU-MQSCRBSSSA-N 0 3 482.698 4.901 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361140857 1066419372 /nfs/dbraw/zinc/41/93/72/1066419372.db2.gz HRWPPKOMNVOQHA-FUCNBRFFSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@@H](C)CC[C@H]3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141288 1066420024 /nfs/dbraw/zinc/42/00/24/1066420024.db2.gz MBPBIDWKLCDLJJ-YYDVJCTNSA-N 0 3 452.672 4.870 20 0 JJADHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001455651666 1066420430 /nfs/dbraw/zinc/42/04/30/1066420430.db2.gz XRPODHOTSDQOKL-FQEVSTJZSA-N 0 3 451.489 4.657 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C ZINC001455953847 1066459433 /nfs/dbraw/zinc/45/94/33/1066459433.db2.gz WZBAIIZZPMICAY-ACJLOTCBSA-N 0 3 452.407 4.547 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)c1 ZINC001455956984 1066460632 /nfs/dbraw/zinc/46/06/32/1066460632.db2.gz DIBFVMRAOSSGNO-DEOSSOPVSA-N 0 3 451.611 4.767 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCCOC(C)C)c1 ZINC001361159481 1066464330 /nfs/dbraw/zinc/46/43/30/1066464330.db2.gz AOUKLRAZBHOAQY-UHFFFAOYSA-N 0 3 483.701 4.990 20 0 JJADHN C/C(=C/C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccccc1C ZINC001444644964 1066487319 /nfs/dbraw/zinc/48/73/19/1066487319.db2.gz BLOZLZBTERSHME-ZPHPHTNESA-N 0 3 457.412 4.820 20 0 JJADHN C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444653328 1066488822 /nfs/dbraw/zinc/48/88/22/1066488822.db2.gz SZAFOUOBGLAJBX-IBGZPJMESA-N 0 3 452.982 4.920 20 0 JJADHN COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660396 1066489366 /nfs/dbraw/zinc/48/93/66/1066489366.db2.gz DXVPDAGYRACGQO-XUZZJYLKSA-N 0 3 454.586 4.756 20 0 JJADHN O=C(CC/C=C\c1ccccc1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001444655263 1066489615 /nfs/dbraw/zinc/48/96/15/1066489615.db2.gz ZCTZFKXPEKTBLT-YWEYNIOJSA-N 0 3 457.412 4.902 20 0 JJADHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1NC(=O)c1cccs1 ZINC001456053391 1066494513 /nfs/dbraw/zinc/49/45/13/1066494513.db2.gz FXSRCCZLQSDDNG-UHFFFAOYSA-N 0 3 457.546 4.791 20 0 JJADHN CCc1nc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C(F)(F)F)cc3)cc2nc1CC ZINC001456053880 1066495186 /nfs/dbraw/zinc/49/51/86/1066495186.db2.gz IAFHMOOZQYUNGA-UHFFFAOYSA-N 0 3 458.528 4.977 20 0 JJADHN Cc1cccc(CC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1Br ZINC001456054056 1066495239 /nfs/dbraw/zinc/49/52/39/1066495239.db2.gz HFGSRXGVABFAIS-UHFFFAOYSA-N 0 3 457.334 4.909 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001456055827 1066496113 /nfs/dbraw/zinc/49/61/13/1066496113.db2.gz LZNNGZLXDPRZID-UHFFFAOYSA-N 0 3 454.412 4.967 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)COc1ccc2ccccc2c1Br ZINC001456056082 1066496689 /nfs/dbraw/zinc/49/66/89/1066496689.db2.gz NIGWFVMHCPNAIX-UHFFFAOYSA-N 0 3 459.359 4.711 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(OCc2ccccc2)ccn1 ZINC001456057260 1066496770 /nfs/dbraw/zinc/49/67/70/1066496770.db2.gz QSOKHMIUPHDQQD-UHFFFAOYSA-N 0 3 457.496 4.883 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC001456057266 1066497452 /nfs/dbraw/zinc/49/74/52/1066497452.db2.gz QVVRBENQBLXNSW-UHFFFAOYSA-N 0 3 456.537 4.807 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001456058941 1066497892 /nfs/dbraw/zinc/49/78/92/1066497892.db2.gz VURAYPUOYDOOBL-UHFFFAOYSA-N 0 3 453.411 4.843 20 0 JJADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cccnc1SCC1CCCCC1 ZINC001444740781 1066500236 /nfs/dbraw/zinc/50/02/36/1066500236.db2.gz GRCBQAFEWJLCLJ-UHFFFAOYSA-N 0 3 453.652 4.641 20 0 JJADHN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001444894887 1066517067 /nfs/dbraw/zinc/51/70/67/1066517067.db2.gz TZCPZOJBVYQHEV-HYBUGGRVSA-N 0 3 456.030 4.608 20 0 JJADHN CN1CCC(N(Cc2ccccc2)C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC001444923368 1066518234 /nfs/dbraw/zinc/51/82/34/1066518234.db2.gz HLDBJSOQXKMVEI-UHFFFAOYSA-N 0 3 458.628 4.546 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361198012 1066526308 /nfs/dbraw/zinc/52/63/08/1066526308.db2.gz FNMJBLYTBMACEB-DENIHFKCSA-N 0 3 498.697 4.588 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001456274050 1066552279 /nfs/dbraw/zinc/55/22/79/1066552279.db2.gz BZBLFGJGALAZKD-JOCHJYFZSA-N 0 3 455.643 4.775 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2cccc(OCC(C)C)c2)o1 ZINC001361221145 1066559606 /nfs/dbraw/zinc/55/96/06/1066559606.db2.gz PATMNUCMGISMCN-UHFFFAOYSA-N 0 3 451.615 4.850 20 0 JJADHN Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H](c2cccs2)N(C)C)cc1Br ZINC001361229337 1066568563 /nfs/dbraw/zinc/56/85/63/1066568563.db2.gz PZBTZKQIIKKRHP-QFBILLFUSA-N 0 3 490.471 4.606 20 0 JJADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456422179 1066582040 /nfs/dbraw/zinc/58/20/40/1066582040.db2.gz CJWPZDUABSHPBN-RUZDIDTESA-N 0 3 456.537 4.961 20 0 JJADHN Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1 ZINC001456450203 1066590125 /nfs/dbraw/zinc/59/01/25/1066590125.db2.gz WORUNARCCIMRRN-LOSJGSFVSA-N 0 3 462.615 4.561 20 0 JJADHN Cc1ccc(CN(C)c2nnc(CC(C)C)n2CCCN2CCN(c3ccccc3)CC2)s1 ZINC001361257712 1066606275 /nfs/dbraw/zinc/60/62/75/1066606275.db2.gz HCTWNNGEROUXFU-UHFFFAOYSA-N 0 3 466.699 4.695 20 0 JJADHN Cc1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1O ZINC001445729322 1066612616 /nfs/dbraw/zinc/61/26/16/1066612616.db2.gz ZFVYYCORLLIBHT-UHFFFAOYSA-N 0 3 453.583 4.589 20 0 JJADHN Cc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)Cc2ccccc2)o1 ZINC001361261875 1066614876 /nfs/dbraw/zinc/61/48/76/1066614876.db2.gz ZMPZJINLCOLCNS-DNQXCXABSA-N 0 3 465.642 4.867 20 0 JJADHN C[C@H]1C[C@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CN1Cc1ccccc1 ZINC001445784965 1066616829 /nfs/dbraw/zinc/61/68/29/1066616829.db2.gz GONWHNAKJPQGOI-BBRMVZONSA-N 0 3 457.290 4.741 20 0 JJADHN Cc1c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562413 1066625756 /nfs/dbraw/zinc/62/57/56/1066625756.db2.gz PZUUCDFMBQHYEC-SFHVURJKSA-N 0 3 456.512 4.936 20 0 JJADHN Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001492600079 1066652533 /nfs/dbraw/zinc/65/25/33/1066652533.db2.gz HUIBFMMPIRLUIZ-OAQYLSRUSA-N 0 3 462.623 4.528 20 0 JJADHN CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001492609124 1066670452 /nfs/dbraw/zinc/67/04/52/1066670452.db2.gz MNMWDVXYSOIQJK-GOSISDBHSA-N 0 3 475.460 4.567 20 0 JJADHN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001492610802 1066672839 /nfs/dbraw/zinc/67/28/39/1066672839.db2.gz IEAUQCFBSYLZCV-ZEQRLZLVSA-N 0 3 494.684 4.852 20 0 JJADHN CCCc1c(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774104 1066687103 /nfs/dbraw/zinc/68/71/03/1066687103.db2.gz WIMADDPDDMUVDJ-AOMKIAJQSA-N 0 3 458.031 4.748 20 0 JJADHN CCCc1c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774119 1066687155 /nfs/dbraw/zinc/68/71/55/1066687155.db2.gz WIMADDPDDMUVDJ-OPAMFIHVSA-N 0 3 458.031 4.748 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CC=C(C)CC3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001492619945 1066688607 /nfs/dbraw/zinc/68/86/07/1066688607.db2.gz PMIJOUHFJOXFKD-OAQYLSRUSA-N 0 3 451.640 4.995 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 ZINC001446358363 1066696400 /nfs/dbraw/zinc/69/64/00/1066696400.db2.gz ZHEWVLLHCTVEDH-QHCPKHFHSA-N 0 3 451.592 4.537 20 0 JJADHN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001446758411 1066736409 /nfs/dbraw/zinc/73/64/09/1066736409.db2.gz MDTOTCNXPLABIN-HMXCVIKNSA-N 0 3 454.533 4.719 20 0 JJADHN Cc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492643128 1066738813 /nfs/dbraw/zinc/73/88/13/1066738813.db2.gz ZFPZHWQZULUQNE-TZIWHRDSSA-N 0 3 456.635 4.992 20 0 JJADHN COc1ccccc1C(C)(C)C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC001446824380 1066745030 /nfs/dbraw/zinc/74/50/30/1066745030.db2.gz MRJXKFKREPWTMI-UHFFFAOYSA-N 0 3 457.618 4.976 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC001492647162 1066751059 /nfs/dbraw/zinc/75/10/59/1066751059.db2.gz YPKGARDSWHIBQZ-DENIHFKCSA-N 0 3 457.619 4.620 20 0 JJADHN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990774 1066757498 /nfs/dbraw/zinc/75/74/98/1066757498.db2.gz YFNOPCORUYCSGB-FYYLOGMGSA-N 0 3 487.664 4.727 20 0 JJADHN Cc1csc(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001492651481 1066758778 /nfs/dbraw/zinc/75/87/78/1066758778.db2.gz RYOQOAVUAJSTCX-UHFFFAOYSA-N 0 3 477.103 4.815 20 0 JJADHN Cc1nc(C)c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001492655425 1066766348 /nfs/dbraw/zinc/76/63/48/1066766348.db2.gz QTBNARQOFWNBFN-LJQANCHMSA-N 0 3 486.661 4.651 20 0 JJADHN CCCN(C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)C1CCN(Cc2ccccc2)CC1 ZINC001457135109 1066769653 /nfs/dbraw/zinc/76/96/53/1066769653.db2.gz ZQFHYKATLVNJPF-OREGWCPLSA-N 0 3 455.643 4.583 20 0 JJADHN Cc1nc(C)c(Cn2c(-c3ccccc3Br)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492657939 1066771930 /nfs/dbraw/zinc/77/19/30/1066771930.db2.gz GJYNRKHOAAYQBQ-UHFFFAOYSA-N 0 3 489.487 4.750 20 0 JJADHN Cc1nc(C)c(Cn2c(-c3ccc(Br)s3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492659036 1066774605 /nfs/dbraw/zinc/77/46/05/1066774605.db2.gz OGYFYWCGXAILGN-UHFFFAOYSA-N 0 3 495.516 4.811 20 0 JJADHN Cc1nc(C)c(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492660489 1066777920 /nfs/dbraw/zinc/77/79/20/1066777920.db2.gz PAMAAFGNKFRQQG-UHFFFAOYSA-N 0 3 475.062 4.553 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)c1 ZINC001447163063 1066779382 /nfs/dbraw/zinc/77/93/82/1066779382.db2.gz JDAZOHLYQUZNCN-UHFFFAOYSA-N 0 3 452.599 4.801 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2ccc(Cl)s2)cs1 ZINC001492680769 1066823201 /nfs/dbraw/zinc/82/32/01/1066823201.db2.gz ZBWKDINCQSSGPX-UHFFFAOYSA-N 0 3 465.092 4.512 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCCOc2ccccc2C)cs1 ZINC001492680984 1066823743 /nfs/dbraw/zinc/82/37/43/1066823743.db2.gz HOEYBGMZLHCNIH-UHFFFAOYSA-N 0 3 496.725 4.970 20 0 JJADHN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)cs1 ZINC001492681933 1066824895 /nfs/dbraw/zinc/82/48/95/1066824895.db2.gz LFTJNUZTPLTCMX-GJZUVCINSA-N 0 3 482.698 4.578 20 0 JJADHN Cc1nc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001492687519 1066833114 /nfs/dbraw/zinc/83/31/14/1066833114.db2.gz ZFTJXPCWXDMGBL-QGZVFWFLSA-N 0 3 489.089 5.000 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c(OCC)c2)CC1 ZINC001447801928 1066861505 /nfs/dbraw/zinc/86/15/05/1066861505.db2.gz JEJNAZNFKGLFHS-IBGZPJMESA-N 0 3 455.574 4.604 20 0 JJADHN COc1ccc([C@H](NC(C)C)C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630602 1066886093 /nfs/dbraw/zinc/88/60/93/1066886093.db2.gz QNUCTQPGAQNHKD-RTWAWAEBSA-N 0 3 455.357 4.780 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125978 1066902613 /nfs/dbraw/zinc/90/26/13/1066902613.db2.gz SYBKJSAFRJCRRQ-HSZRJFAPSA-N 0 3 451.611 4.871 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001492732162 1066904214 /nfs/dbraw/zinc/90/42/14/1066904214.db2.gz JZXGYDKVNQIGJB-OALUTQOASA-N 0 3 469.684 4.763 20 0 JJADHN CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001457798244 1066923023 /nfs/dbraw/zinc/92/30/23/1066923023.db2.gz SYRBCBHMVCRWRS-JOCHJYFZSA-N 0 3 453.380 4.714 20 0 JJADHN CN(C)C[C@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406914 1066924593 /nfs/dbraw/zinc/92/45/93/1066924593.db2.gz SCFHWBZUSPTKBE-DQEYMECFSA-N 0 3 452.982 4.762 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2CCC(F)(F)CC2)n1 ZINC001492753322 1066926723 /nfs/dbraw/zinc/92/67/23/1066926723.db2.gz UMNBQVQHSHTNED-UHFFFAOYSA-N 0 3 477.648 4.523 20 0 JJADHN CC1(C)CCCN(CCNC(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)C1 ZINC001448510425 1066935064 /nfs/dbraw/zinc/93/50/64/1066935064.db2.gz QHVZESYUZBXPKE-UHFFFAOYSA-N 0 3 458.400 4.553 20 0 JJADHN Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001492843618 1066956636 /nfs/dbraw/zinc/95/66/36/1066956636.db2.gz HZCPJJZMNYBOBK-FUHWJXTLSA-N 0 3 482.551 4.888 20 0 JJADHN CC[C@H](c1nnc(N(C)C2CCCCC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720132 1066974487 /nfs/dbraw/zinc/97/44/87/1066974487.db2.gz RKIWRKJDADKNKB-DEOSSOPVSA-N 0 3 452.691 4.615 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545724015 1066980129 /nfs/dbraw/zinc/98/01/29/1066980129.db2.gz KNTUJINXAKWQAZ-KSEOMHKRSA-N 0 3 453.656 4.657 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730567 1066987828 /nfs/dbraw/zinc/98/78/28/1066987828.db2.gz BQIXXGSWKNPKGO-CNNODRBYSA-N 0 3 484.595 4.784 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545731899 1066992047 /nfs/dbraw/zinc/99/20/47/1066992047.db2.gz UUSWAGQKGGTGGE-RMTZWNOUSA-N 0 3 480.745 4.966 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732008 1066993309 /nfs/dbraw/zinc/99/33/09/1066993309.db2.gz WESHESPCHZGVSS-QNWVGRARSA-N 0 3 484.689 4.606 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(C)C)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545734041 1066994321 /nfs/dbraw/zinc/99/43/21/1066994321.db2.gz MIDHAZBQMMNWDN-SANMLTNESA-N 0 3 466.718 4.720 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736340 1067000131 /nfs/dbraw/zinc/00/01/31/1067000131.db2.gz PCXAJQHAZMFLEF-HSZRJFAPSA-N 0 3 492.634 4.626 20 0 JJADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336795 1067001640 /nfs/dbraw/zinc/00/16/40/1067001640.db2.gz ZJCVUHYEBOAQNA-RTWAWAEBSA-N 0 3 450.608 4.734 20 0 JJADHN CCCN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 ZINC001449355782 1067002763 /nfs/dbraw/zinc/00/27/63/1067002763.db2.gz LQAHMYILFLSZIC-RCZVLFRGSA-N 0 3 453.652 4.875 20 0 JJADHN CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545745611 1067012618 /nfs/dbraw/zinc/01/26/18/1067012618.db2.gz DDYUXIGARRGOJL-UKILVPOCSA-N 0 3 466.718 4.720 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC001449678849 1067019768 /nfs/dbraw/zinc/01/97/68/1067019768.db2.gz KJUXEQSRAWZEDN-GOSISDBHSA-N 0 3 457.018 4.854 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756114 1067033056 /nfs/dbraw/zinc/03/30/56/1067033056.db2.gz AWELBUQEDNLIFM-WOJBJXKFSA-N 0 3 467.580 4.708 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756112 1067033174 /nfs/dbraw/zinc/03/31/74/1067033174.db2.gz AWELBUQEDNLIFM-UXHICEINSA-N 0 3 467.580 4.708 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001545758435 1067037420 /nfs/dbraw/zinc/03/74/20/1067037420.db2.gz HAARBKZAPLNMDF-QHCPKHFHSA-N 0 3 492.716 4.773 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545758549 1067038612 /nfs/dbraw/zinc/03/86/12/1067038612.db2.gz IXEPADLYSSNTLL-DNQXCXABSA-N 0 3 453.675 4.947 20 0 JJADHN CC[C@H](C)N[C@@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372605 1067045025 /nfs/dbraw/zinc/04/50/25/1067045025.db2.gz QDDCVCKWYTZCBG-KSSFIOAISA-N 0 3 455.360 4.712 20 0 JJADHN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC001450121522 1067051037 /nfs/dbraw/zinc/05/10/37/1067051037.db2.gz AZRPRQUMQGJGJN-OAQYLSRUSA-N 0 3 455.649 4.811 20 0 JJADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117450 1067051186 /nfs/dbraw/zinc/05/11/86/1067051186.db2.gz OPFXSJYYUSRTJX-IBGZPJMESA-N 0 3 457.393 4.997 20 0 JJADHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)O[C@H](C)C2 ZINC001450126650 1067051317 /nfs/dbraw/zinc/05/13/17/1067051317.db2.gz JUBOEUXHKYOGGD-AAEGSUEWSA-N 0 3 454.636 4.653 20 0 JJADHN COc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1 ZINC001450121495 1067051531 /nfs/dbraw/zinc/05/15/31/1067051531.db2.gz AZRPRQUMQGJGJN-NRFANRHFSA-N 0 3 455.649 4.811 20 0 JJADHN CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)CC1)SC ZINC001545771315 1067057883 /nfs/dbraw/zinc/05/78/83/1067057883.db2.gz LTUYUKFQGIDIGZ-UHFFFAOYSA-N 0 3 497.551 4.746 20 0 JJADHN CCOc1ccc([C@H](O)C2CCN(C(=O)[C@H]3CCCCN3Cc3cccc(C)c3)CC2)cc1 ZINC001450415993 1067078831 /nfs/dbraw/zinc/07/88/31/1067078831.db2.gz RPPDLMBIAGZXKJ-SXOMAYOGSA-N 0 3 450.623 4.720 20 0 JJADHN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)SC ZINC001545787993 1067083766 /nfs/dbraw/zinc/08/37/66/1067083766.db2.gz DRWMCXPPHZTUQH-OAQYLSRUSA-N 0 3 492.133 4.603 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)N(C)C)cc1 ZINC001450546851 1067089335 /nfs/dbraw/zinc/08/93/35/1067089335.db2.gz RGEBMEPXZIZIHY-WIOPSUGQSA-N 0 3 452.643 4.700 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628488 1067098384 /nfs/dbraw/zinc/09/83/84/1067098384.db2.gz JLHVBMHWLRMOMY-LAUBAEHRSA-N 0 3 453.380 4.618 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC001458626496 1067098636 /nfs/dbraw/zinc/09/86/36/1067098636.db2.gz HGNAAGYZKYEKQK-UTKZUKDTSA-N 0 3 458.002 4.866 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)N(C)C)cc1 ZINC001450776527 1067119085 /nfs/dbraw/zinc/11/90/85/1067119085.db2.gz ATXIFLWHLDMTME-ZEQRLZLVSA-N 0 3 453.627 4.870 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(CC)C1)N1CCOCC1 ZINC001545805666 1067121043 /nfs/dbraw/zinc/12/10/43/1067121043.db2.gz QKDHQILQRKGIIO-RPLLCQBOSA-N 0 3 469.674 4.717 20 0 JJADHN Cc1ccccc1-n1ccnc1SCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450793478 1067121744 /nfs/dbraw/zinc/12/17/44/1067121744.db2.gz VYVJMJOSVIVXLP-DEOSSOPVSA-N 0 3 450.652 4.890 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)N1CCOCC1 ZINC001545805983 1067122263 /nfs/dbraw/zinc/12/22/63/1067122263.db2.gz WJOOLDGRGPPNFQ-BKSPAHHJSA-N 0 3 469.674 4.573 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CCN1Cc1ccccc1 ZINC001450806768 1067124142 /nfs/dbraw/zinc/12/41/42/1067124142.db2.gz WVIDEPXKJUJTCY-CTNGQTDRSA-N 0 3 454.640 4.592 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCCC1)N1CCOCC1 ZINC001545807201 1067124210 /nfs/dbraw/zinc/12/42/10/1067124210.db2.gz CUMYXINLOVDACR-DEOSSOPVSA-N 0 3 453.675 4.980 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)N1CCOCC1 ZINC001545807233 1067125114 /nfs/dbraw/zinc/12/51/14/1067125114.db2.gz DOXALHLOSSIKTG-PXDATVDWSA-N 0 3 483.701 4.605 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)N1CCOCC1 ZINC001545808400 1067134368 /nfs/dbraw/zinc/13/43/68/1067134368.db2.gz XQRZMKATMSVXHV-ZRCGQRJVSA-N 0 3 475.628 4.810 20 0 JJADHN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC001545809153 1067135041 /nfs/dbraw/zinc/13/50/41/1067135041.db2.gz WHMCEOLPAAKWJM-ZFWWWQNUSA-N 0 3 453.848 4.806 20 0 JJADHN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001451254692 1067156279 /nfs/dbraw/zinc/15/62/79/1067156279.db2.gz OGUPICGBQPOFOB-NZQKXSOJSA-N 0 3 453.602 4.920 20 0 JJADHN CC[C@@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451303700 1067158641 /nfs/dbraw/zinc/15/86/41/1067158641.db2.gz NQYIJYRAZJATJB-PKTZIBPZSA-N 0 3 457.659 4.879 20 0 JJADHN Cc1cc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c2cnn(C(C)C)c2n1 ZINC001458841200 1067167579 /nfs/dbraw/zinc/16/75/79/1067167579.db2.gz YCKDZILOCLSVKV-QFIPXVFZSA-N 0 3 455.553 4.944 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H]1CCCCN1C1CC1 ZINC001545826998 1067177294 /nfs/dbraw/zinc/17/72/94/1067177294.db2.gz YQNPQCKGVFEBKB-NQIIRXRSSA-N 0 3 470.637 4.550 20 0 JJADHN COc1ccccc1-n1c(SCCN(C)Cc2ccc(F)cc2)nnc1N1CCCCC1 ZINC001458864857 1067177856 /nfs/dbraw/zinc/17/78/56/1067177856.db2.gz XRAMYGWHWDJHTJ-UHFFFAOYSA-N 0 3 455.603 4.629 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001451879785 1067195942 /nfs/dbraw/zinc/19/59/42/1067195942.db2.gz VEDFDQZITNDPEE-SMIHKQSGSA-N 0 3 455.643 4.583 20 0 JJADHN O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001458970745 1067213117 /nfs/dbraw/zinc/21/31/17/1067213117.db2.gz DKELNQQHXAPCMA-MUUNZHRXSA-N 0 3 458.602 4.606 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC001458974588 1067214285 /nfs/dbraw/zinc/21/42/85/1067214285.db2.gz PDSKRWJJEZGOMH-HSZRJFAPSA-N 0 3 450.529 4.961 20 0 JJADHN CCC(O)(CC)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001546041591 1067239832 /nfs/dbraw/zinc/23/98/32/1067239832.db2.gz IDKKOYFEVCSGPD-UHFFFAOYSA-N 0 3 471.690 4.583 20 0 JJADHN COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)Cc1csc(SCCN(C)C)n1 ZINC001452766000 1067249666 /nfs/dbraw/zinc/24/96/66/1067249666.db2.gz LLXRKFLDWHVGGM-QGZVFWFLSA-N 0 3 454.061 4.537 20 0 JJADHN CC[C@@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546047850 1067282039 /nfs/dbraw/zinc/28/20/39/1067282039.db2.gz FDJOTFQMDPZKTA-NLFFAJNJSA-N 0 3 476.065 4.733 20 0 JJADHN CC[C@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546047849 1067282168 /nfs/dbraw/zinc/28/21/68/1067282168.db2.gz FDJOTFQMDPZKTA-NBGIEHNGSA-N 0 3 476.065 4.733 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)c3csc(-c4ccc(OC(C)C)cc4)n3)c2)CC1 ZINC001459284428 1067282388 /nfs/dbraw/zinc/28/23/88/1067282388.db2.gz JDSOLMJOHVWIGC-UHFFFAOYSA-N 0 3 450.608 4.992 20 0 JJADHN COc1ccc(CN(C)CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307097 1067289117 /nfs/dbraw/zinc/28/91/17/1067289117.db2.gz AQLPIVISMLXKPW-XMMPIXPASA-N 0 3 456.583 4.684 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350428 1067300467 /nfs/dbraw/zinc/30/04/67/1067300467.db2.gz XQGGRMHTCNVDBP-AOYPEHQESA-N 0 3 452.595 4.861 20 0 JJADHN Fc1ccc([C@H]2CN(CCCN3CCN(c4ccc(Cl)cc4)CC3)CCO2)cc1Cl ZINC001459425851 1067322700 /nfs/dbraw/zinc/32/27/00/1067322700.db2.gz LKANQSSWLJWSQF-HSZRJFAPSA-N 0 3 452.401 4.718 20 0 JJADHN COc1ccccc1-c1ccc([C@H](C)N(C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580553 1067356816 /nfs/dbraw/zinc/35/68/16/1067356816.db2.gz AERSMYUSUYEBFT-IBGZPJMESA-N 0 3 450.604 4.996 20 0 JJADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668490 1067377481 /nfs/dbraw/zinc/37/74/81/1067377481.db2.gz HIEAUNUXGBUZQT-ODGPQVTHSA-N 0 3 454.611 4.558 20 0 JJADHN CCCN(C(=O)c1cccs1)C1CCN(CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001459693250 1067385836 /nfs/dbraw/zinc/38/58/36/1067385836.db2.gz FSVWALBCLFYJOD-UHFFFAOYSA-N 0 3 454.592 4.559 20 0 JJADHN CCCN(C(=O)c1cccs1)C1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001459695227 1067386519 /nfs/dbraw/zinc/38/65/19/1067386519.db2.gz PQGGFYDEJUFUGT-IBGZPJMESA-N 0 3 454.558 4.687 20 0 JJADHN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706987 1067390030 /nfs/dbraw/zinc/39/00/30/1067390030.db2.gz HHLXEWQSFHTJOW-MHECFPHRSA-N 0 3 452.549 4.592 20 0 JJADHN C[C@H](c1ccccc1Cl)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782403 1067419471 /nfs/dbraw/zinc/41/94/71/1067419471.db2.gz YPXVFKQFVHRFTF-LVCYWYKZSA-N 0 3 450.023 4.629 20 0 JJADHN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788375 1067422882 /nfs/dbraw/zinc/42/28/82/1067422882.db2.gz BODVOTWSWPFRQT-MBSDFSHPSA-N 0 3 454.018 4.868 20 0 JJADHN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836727 1067446873 /nfs/dbraw/zinc/44/68/73/1067446873.db2.gz OXXLKGQQSNUOHT-ZJSXRUAMSA-N 0 3 458.574 4.590 20 0 JJADHN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836709 1067446911 /nfs/dbraw/zinc/44/69/11/1067446911.db2.gz OXXLKGQQSNUOHT-QPPBQGQZSA-N 0 3 458.574 4.590 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC001459837066 1067446953 /nfs/dbraw/zinc/44/69/53/1067446953.db2.gz UYQPDTQWRASQNA-QFIPXVFZSA-N 0 3 458.400 4.657 20 0 JJADHN CC[C@H](C)[C@H](NCc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847752 1067453044 /nfs/dbraw/zinc/45/30/44/1067453044.db2.gz BNPQWUCIRRBRLX-MBSDFSHPSA-N 0 3 458.444 4.830 20 0 JJADHN O[C@H](CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851035 1067456162 /nfs/dbraw/zinc/45/61/62/1067456162.db2.gz GFBJYITZJDCSGL-QFBILLFUSA-N 0 3 451.384 4.667 20 0 JJADHN O[C@H](CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(F)c(Br)c1 ZINC001459851035 1067456168 /nfs/dbraw/zinc/45/61/68/1067456168.db2.gz GFBJYITZJDCSGL-QFBILLFUSA-N 0 3 451.384 4.667 20 0 JJADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](C)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001459882902 1067472346 /nfs/dbraw/zinc/47/23/46/1067472346.db2.gz KQCXCCRCUIQFQG-QHCPKHFHSA-N 0 3 457.618 4.747 20 0 JJADHN O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001459885600 1067473152 /nfs/dbraw/zinc/47/31/52/1067473152.db2.gz VKIOAPMMTYIGLD-UHFFFAOYSA-N 0 3 451.954 4.870 20 0 JJADHN Cc1ccc([C@@H](CC(F)(F)F)NCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC001459905677 1067483047 /nfs/dbraw/zinc/48/30/47/1067483047.db2.gz LEJJHLVRAXAETA-MRXNPFEDSA-N 0 3 453.530 4.646 20 0 JJADHN CCCCn1c(CN[C@@H](C)C2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001459923316 1067493314 /nfs/dbraw/zinc/49/33/14/1067493314.db2.gz VCSHSBFMSNUWQA-IBGZPJMESA-N 0 3 451.615 4.596 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@H](CC)[C@@H]1CCCO1 ZINC001459925236 1067494387 /nfs/dbraw/zinc/49/43/87/1067494387.db2.gz REEKDLYWNOYFAZ-MSOLQXFVSA-N 0 3 450.988 4.731 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947886 1067502925 /nfs/dbraw/zinc/50/29/25/1067502925.db2.gz YOHPBGPOBGOQGU-QPPBQGQZSA-N 0 3 456.030 4.899 20 0 JJADHN CC(C)[C@](C)(NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949279 1067503906 /nfs/dbraw/zinc/50/39/06/1067503906.db2.gz KPNDQVIWWXXYLI-NYHFZMIOSA-N 0 3 453.371 4.936 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCCC1 ZINC001460022851 1067531902 /nfs/dbraw/zinc/53/19/02/1067531902.db2.gz BMGXZESPYOGPSZ-QHCPKHFHSA-N 0 3 458.647 4.679 20 0 JJADHN COc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(Br)c1OC ZINC001460033243 1067535018 /nfs/dbraw/zinc/53/50/18/1067535018.db2.gz XISDYIJXFNVNCT-MRXNPFEDSA-N 0 3 457.409 4.639 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042112 1067536971 /nfs/dbraw/zinc/53/69/71/1067536971.db2.gz RDYPNKHCKMNTLC-GOUWZUTHSA-N 0 3 453.652 4.964 20 0 JJADHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072969 1067546537 /nfs/dbraw/zinc/54/65/37/1067546537.db2.gz CMIXLCIEEUCDPG-VXKWHMMOSA-N 0 3 455.986 4.858 20 0 JJADHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095769 1067553581 /nfs/dbraw/zinc/55/35/81/1067553581.db2.gz ODHRYEASFFUERY-ZPZUNKDASA-N 0 3 450.623 4.658 20 0 JJADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(-c2cc(C)cc(C)c2)nn1-c1ccccc1 ZINC001460107636 1067556559 /nfs/dbraw/zinc/55/65/59/1067556559.db2.gz RVMYAFWSIQGDGX-RPWUZVMVSA-N 0 3 474.605 4.806 20 0 JJADHN O=C1[C@H](N2CC[C@@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137615 1067562884 /nfs/dbraw/zinc/56/28/84/1067562884.db2.gz HISSHWMGDKCUMY-MGPUTAFESA-N 0 3 451.767 4.912 20 0 JJADHN Cn1c(CCN2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccccc21 ZINC001460207538 1067579394 /nfs/dbraw/zinc/57/93/94/1067579394.db2.gz KUEMHLXQQJIDNA-RBBKRZOGSA-N 0 3 452.574 4.638 20 0 JJADHN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210094 1067580007 /nfs/dbraw/zinc/58/00/07/1067580007.db2.gz DOCZNIOZMMPFDH-FNLHRSDSSA-N 0 3 459.565 4.613 20 0 JJADHN CCCCN(CC)c1ccc(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC001460214645 1067581460 /nfs/dbraw/zinc/58/14/60/1067581460.db2.gz ZVFNIASUWNLVPR-UHFFFAOYSA-N 0 3 450.627 4.666 20 0 JJADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001460230687 1067585070 /nfs/dbraw/zinc/58/50/70/1067585070.db2.gz XETPESCFGBJHLA-VOUHSTLWSA-N 0 3 458.668 4.559 20 0 JJADHN C[C@@](Cc1ccccc1)(NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC001460241703 1067589066 /nfs/dbraw/zinc/58/90/66/1067589066.db2.gz LBSPBSIQSZMUFA-VWLOTQADSA-N 0 3 456.508 4.992 20 0 JJADHN C[C@](Cc1ccccc1)(NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC001460241693 1067589122 /nfs/dbraw/zinc/58/91/22/1067589122.db2.gz LBSPBSIQSZMUFA-RUZDIDTESA-N 0 3 456.508 4.992 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@H](C)C1(OC)CCC1 ZINC001460252725 1067591921 /nfs/dbraw/zinc/59/19/21/1067591921.db2.gz TWPBCMTZBYHPLX-CQSZACIVSA-N 0 3 450.988 4.731 20 0 JJADHN C[C@@H]1C[C@H](C)N(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269621 1067594185 /nfs/dbraw/zinc/59/41/85/1067594185.db2.gz GJBMPBXBYPYULM-AOIWGVFYSA-N 0 3 453.023 4.915 20 0 JJADHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460278117 1067596191 /nfs/dbraw/zinc/59/61/91/1067596191.db2.gz DTYOVSHMUJBPBM-OYRHQHFDSA-N 0 3 469.601 4.799 20 0 JJADHN CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@H](C)c3ccccc31)C(C)(C)NC(C)(C)C2 ZINC001460286563 1067598917 /nfs/dbraw/zinc/59/89/17/1067598917.db2.gz PKYRGCCNXXIBDS-HNNXBMFYSA-N 0 3 455.624 4.646 20 0 JJADHN CCCCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@@H]1CCc2ncsc2C1 ZINC001460339850 1067611527 /nfs/dbraw/zinc/61/15/27/1067611527.db2.gz QLRIERPELRGFDW-OAQYLSRUSA-N 0 3 451.640 4.852 20 0 JJADHN C[C@@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001460340460 1067611537 /nfs/dbraw/zinc/61/15/37/1067611537.db2.gz TWHVFCUCLUAEJP-AUSIDOKSSA-N 0 3 455.599 4.725 20 0 JJADHN C[C@@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340494 1067611962 /nfs/dbraw/zinc/61/19/62/1067611962.db2.gz TWHVFCUCLUAEJP-XXBNENTESA-N 0 3 455.599 4.725 20 0 JJADHN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F ZINC001460388383 1067624257 /nfs/dbraw/zinc/62/42/57/1067624257.db2.gz HEUVFCBCFFWYBO-VQPPSCEASA-N 0 3 477.527 4.814 20 0 JJADHN OC[C@@]1(NCc2cc(F)c(C(F)(F)F)cc2F)CCc2cc(Br)ccc2C1 ZINC001460424883 1067632146 /nfs/dbraw/zinc/63/21/46/1067632146.db2.gz UZIPYCXLBKOULS-GOSISDBHSA-N 0 3 450.245 4.756 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421288 1067632175 /nfs/dbraw/zinc/63/21/75/1067632175.db2.gz WKMCHPMYJYZNDJ-RKVPGOIHSA-N 0 3 480.285 4.852 20 0 JJADHN OC[C@]1(NCc2cc(F)c(C(F)(F)F)cc2F)CCc2cc(Br)ccc2C1 ZINC001460424884 1067632800 /nfs/dbraw/zinc/63/28/00/1067632800.db2.gz UZIPYCXLBKOULS-SFHVURJKSA-N 0 3 450.245 4.756 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001460618764 1067674514 /nfs/dbraw/zinc/67/45/14/1067674514.db2.gz NJCGQSWPQUZYNR-MRXNPFEDSA-N 0 3 459.421 4.975 20 0 JJADHN COc1ccc([C@@H]2CN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460649851 1067686761 /nfs/dbraw/zinc/68/67/61/1067686761.db2.gz HNHIPDJGUPBREN-BHDDXSALSA-N 0 3 480.527 4.740 20 0 JJADHN CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)Cc2cccc(OC(C)(C)C)c2)C1 ZINC001460710685 1067706428 /nfs/dbraw/zinc/70/64/28/1067706428.db2.gz BAUJBYNDYXLGCW-UHFFFAOYSA-N 0 3 454.611 4.848 20 0 JJADHN CCCOc1ccc(OCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460768018 1067720169 /nfs/dbraw/zinc/72/01/69/1067720169.db2.gz XUTKDPPGKUPAIP-RRPNLBNLSA-N 0 3 462.565 4.778 20 0 JJADHN CC[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)c1cccc2ccccc21 ZINC001460797765 1067725815 /nfs/dbraw/zinc/72/58/15/1067725815.db2.gz ZYMWWZZZSCQQNB-DEOSSOPVSA-N 0 3 453.608 4.550 20 0 JJADHN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(Cc1ccccc1)Cc1cncc(C)c1 ZINC001460861969 1067736794 /nfs/dbraw/zinc/73/67/94/1067736794.db2.gz FCPUICUBKKJTPM-RPWUZVMVSA-N 0 3 467.610 4.581 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001460882397 1067741893 /nfs/dbraw/zinc/74/18/93/1067741893.db2.gz NRCHCAMPLRGAHG-HXUWFJFHSA-N 0 3 456.631 4.881 20 0 JJADHN Cn1ccnc1COc1ccc(CN2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952266 1067752793 /nfs/dbraw/zinc/75/27/93/1067752793.db2.gz UIMVQDSBVTUMPP-SANMLTNESA-N 0 3 454.615 4.755 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460983856 1067757341 /nfs/dbraw/zinc/75/73/41/1067757341.db2.gz WEQPOSQZBMXGGP-NZSAHSFTSA-N 0 3 455.521 4.658 20 0 JJADHN COc1cc(CNCc2cccc(I)c2)ccc1OCC(F)(F)F ZINC001461029304 1067765042 /nfs/dbraw/zinc/76/50/42/1067765042.db2.gz AMFWGESJEDAPCL-UHFFFAOYSA-N 0 3 451.226 4.531 20 0 JJADHN CCN(CC)[C@H](CNCc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042624 1067768236 /nfs/dbraw/zinc/76/82/36/1067768236.db2.gz ZTDBMVNKTLZWAO-MRXNPFEDSA-N 0 3 450.336 4.804 20 0 JJADHN CCN(CC)[C@@H](CNCc1c(F)ccc(I)c1F)c1ccsc1 ZINC001461042617 1067768316 /nfs/dbraw/zinc/76/83/16/1067768316.db2.gz ZTDBMVNKTLZWAO-INIZCTEOSA-N 0 3 450.336 4.804 20 0 JJADHN Cc1cc(N2CCN(C)CC2)ccc1NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461085438 1067778750 /nfs/dbraw/zinc/77/87/50/1067778750.db2.gz MCAPYUVRJPUNCP-UHFFFAOYSA-N 0 3 450.627 4.652 20 0 JJADHN O=C(NCCNCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Br)cc1 ZINC001461095838 1067781288 /nfs/dbraw/zinc/78/12/88/1067781288.db2.gz NYEGDEGEXQLZEP-UHFFFAOYSA-N 0 3 450.789 4.746 20 0 JJADHN CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001461116395 1067784385 /nfs/dbraw/zinc/78/43/85/1067784385.db2.gz RWXQSNFLPJFTJR-FQEVSTJZSA-N 0 3 458.484 4.881 20 0 JJADHN CCOc1ccc(C(=O)N2CCC(NCc3ccc(Br)c(F)c3F)CC2)cc1 ZINC001461127153 1067786614 /nfs/dbraw/zinc/78/66/14/1067786614.db2.gz PTRUDTDTIDOPJG-UHFFFAOYSA-N 0 3 453.327 4.520 20 0 JJADHN COc1cc(CNCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc2c1OCCO2 ZINC001461137521 1067787780 /nfs/dbraw/zinc/78/77/80/1067787780.db2.gz DYQQZWSGLBJAQB-UHFFFAOYSA-N 0 3 455.938 4.867 20 0 JJADHN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](C)Sc1ccc(Br)cc1 ZINC001461159112 1067791025 /nfs/dbraw/zinc/79/10/25/1067791025.db2.gz HASGFTWLAFULEW-LLVKDONJSA-N 0 3 452.340 4.703 20 0 JJADHN Fc1c(Br)ccc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)c1F ZINC001461160733 1067791433 /nfs/dbraw/zinc/79/14/33/1067791433.db2.gz NZSKKJZAKIUVJE-UHFFFAOYSA-N 0 3 458.778 4.683 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204582 1067798948 /nfs/dbraw/zinc/79/89/48/1067798948.db2.gz HQSLLXDTGGXLGO-OFNKIYASSA-N 0 3 456.627 4.958 20 0 JJADHN CCCCOc1ccc(CNCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC001461208921 1067799870 /nfs/dbraw/zinc/79/98/70/1067799870.db2.gz NSPAXSBTYZIADD-UHFFFAOYSA-N 0 3 454.430 4.970 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461215043 1067800707 /nfs/dbraw/zinc/80/07/07/1067800707.db2.gz DVIUFCWHCVWSBN-LSDHHAIUSA-N 0 3 457.833 4.937 20 0 JJADHN Clc1ccc(I)c(CNCCc2nc(-c3ccncc3)cs2)c1 ZINC001461236422 1067806240 /nfs/dbraw/zinc/80/62/40/1067806240.db2.gz YQMZZIUFQVDFKK-UHFFFAOYSA-N 0 3 455.752 4.795 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461239585 1067807391 /nfs/dbraw/zinc/80/73/91/1067807391.db2.gz REYVNTCNJGJYDW-ZUOKHONESA-N 0 3 452.755 4.947 20 0 JJADHN CCNC(=O)N1CC[C@H](NCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)C1 ZINC001461279428 1067816757 /nfs/dbraw/zinc/81/67/57/1067816757.db2.gz CVGJJJQADXEMOR-VWLOTQADSA-N 0 3 459.590 4.738 20 0 JJADHN CC[C@@H](NCc1c(Br)c2ccccc2n1C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461282768 1067817642 /nfs/dbraw/zinc/81/76/42/1067817642.db2.gz VELHNKCZFFMZFQ-NFBKMPQASA-N 0 3 456.428 4.710 20 0 JJADHN COc1ccc([C@H](OC)[C@@H](C)NCc2cc(Br)cc(Br)c2N)cc1 ZINC001461379957 1067842312 /nfs/dbraw/zinc/84/23/12/1067842312.db2.gz KWFNHNOIMPMKIS-ADLMAVQZSA-N 0 3 458.194 4.668 20 0 JJADHN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNC[C@H]3CSCCN3Cc3ccccc3)cc12 ZINC001461432317 1067855023 /nfs/dbraw/zinc/85/50/23/1067855023.db2.gz HIXSTQOOAUJYJX-FQEVSTJZSA-N 0 3 458.075 4.855 20 0 JJADHN COc1ccc(Cn2cc(CN[C@@H](Cc3cccc(Br)c3)CC3CC3)nn2)cc1 ZINC001461435682 1067855934 /nfs/dbraw/zinc/85/59/34/1067855934.db2.gz BQDYXJXQURBJRP-OAQYLSRUSA-N 0 3 455.400 4.599 20 0 JJADHN CCN(c1ccccc1)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC001461445660 1067858150 /nfs/dbraw/zinc/85/81/50/1067858150.db2.gz VFFXENMIDWUUQU-UHFFFAOYSA-N 0 3 453.583 4.813 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNCCc1ccc(OCC(F)(F)F)nc1 ZINC001461451813 1067859783 /nfs/dbraw/zinc/85/97/83/1067859783.db2.gz CFMBCYNMJBBUOG-UHFFFAOYSA-N 0 3 452.908 4.870 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@@H](CNCc2cccc(C3CCCC3)c2)C(F)(F)F)CC1 ZINC001461468447 1067864864 /nfs/dbraw/zinc/86/48/64/1067864864.db2.gz YTJYIFBLLXTUMY-NRFANRHFSA-N 0 3 455.565 4.917 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNC[C@@H](O)C1CCC1 ZINC001461574700 1067891611 /nfs/dbraw/zinc/89/16/11/1067891611.db2.gz HQILGIWHSIMOHP-JOCHJYFZSA-N 0 3 456.384 4.986 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)C(C[C@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632864 1067906104 /nfs/dbraw/zinc/90/61/04/1067906104.db2.gz MPGXXVKPSHWTHH-QZTJIDSGSA-N 0 3 456.505 4.738 20 0 JJADHN O=[S@](CCNCc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)CC(F)(F)F ZINC001461634258 1067906379 /nfs/dbraw/zinc/90/63/79/1067906379.db2.gz ZCWTUSQUXDZZMU-SSEXGKCCSA-N 0 3 455.933 4.652 20 0 JJADHN COc1cccc(-c2csc(CNCCc3ccc(I)cc3)n2)c1 ZINC001461652311 1067910392 /nfs/dbraw/zinc/91/03/92/1067910392.db2.gz LQQQXQBYFXWXIE-UHFFFAOYSA-N 0 3 450.345 4.756 20 0 JJADHN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC001461717765 1067924408 /nfs/dbraw/zinc/92/44/08/1067924408.db2.gz RTGUBAIXVPOEDH-FQEVSTJZSA-N 0 3 453.455 4.809 20 0 JJADHN CSc1ccc(Br)cc1CCNCc1c(Cl)cccc1N1CCOCC1 ZINC001461788643 1067937221 /nfs/dbraw/zinc/93/72/21/1067937221.db2.gz VODIULVXEHYEPT-UHFFFAOYSA-N 0 3 455.849 4.993 20 0 JJADHN CC1(C)CCC[C@H](CNCc2cc(I)c(Br)cc2F)O1 ZINC001461792728 1067937860 /nfs/dbraw/zinc/93/78/60/1067937860.db2.gz GZAXHZZIRBJBLG-LLVKDONJSA-N 0 3 456.137 4.630 20 0 JJADHN COCO[C@@H](C)c1cc(F)c(CN[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1Br ZINC001461815712 1067941405 /nfs/dbraw/zinc/94/14/05/1067941405.db2.gz YJOIJOVAHWLVCL-OHNRDTAOSA-N 0 3 460.384 4.870 20 0 JJADHN Cc1ccc(CNC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(-c2ccnn2C)c1 ZINC001461839475 1067944998 /nfs/dbraw/zinc/94/49/98/1067944998.db2.gz SFDLRHFRCGGDTL-HXUWFJFHSA-N 0 3 457.418 4.954 20 0 JJADHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900597 1067957950 /nfs/dbraw/zinc/95/79/50/1067957950.db2.gz VVSTYFPRWHBONJ-IBGZPJMESA-N 0 3 458.505 4.834 20 0 JJADHN COc1cccc(COc2ccc(CN3CCC(NC(=O)NC4CCCCC4)CC3)cc2)c1 ZINC001461904819 1067958710 /nfs/dbraw/zinc/95/87/10/1067958710.db2.gz DASCFHAJICXEAT-UHFFFAOYSA-N 0 3 451.611 4.871 20 0 JJADHN COC(=O)[C@H](C)Oc1ccccc1CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929611 1067962953 /nfs/dbraw/zinc/96/29/53/1067962953.db2.gz XJSGCKGZICPSBR-VQTJNVASSA-N 0 3 455.599 4.902 20 0 JJADHN COC1(CN2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CCCCC1 ZINC001461953718 1067968239 /nfs/dbraw/zinc/96/82/39/1067968239.db2.gz JPRKXJBMEPLALE-QGZVFWFLSA-N 0 3 452.521 4.783 20 0 JJADHN COC1(CN2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CCCCC1 ZINC001461953717 1067968262 /nfs/dbraw/zinc/96/82/62/1067968262.db2.gz JPRKXJBMEPLALE-KRWDZBQOSA-N 0 3 452.521 4.783 20 0 JJADHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC(OCc4ccccc4)CC3)o2)CC1 ZINC001461977182 1067973579 /nfs/dbraw/zinc/97/35/79/1067973579.db2.gz PADPBJLIPVQEDJ-UHFFFAOYSA-N 0 3 455.599 4.518 20 0 JJADHN CC(C)(C)OC(=O)NCCN1CCC(NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC001462105617 1068004430 /nfs/dbraw/zinc/00/44/30/1068004430.db2.gz RHQIEQAIRGJORT-UHFFFAOYSA-N 0 3 456.612 4.635 20 0 JJADHN CCOc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc(Br)c1[O-] ZINC001462117655 1068007965 /nfs/dbraw/zinc/00/79/65/1068007965.db2.gz BAFOIPQREXNPLJ-CQSZACIVSA-N 0 3 459.306 4.941 20 0 JJADHN O=C(COc1ccc(Cl)cc1)NC1CCC(NCc2ccsc2Br)CC1 ZINC001462150959 1068016743 /nfs/dbraw/zinc/01/67/43/1068016743.db2.gz ZAFQJMBKOHKQPM-UHFFFAOYSA-N 0 3 457.821 4.760 20 0 JJADHN C[C@@H](COc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153803 1068017712 /nfs/dbraw/zinc/01/77/12/1068017712.db2.gz DJJOTCSNXYCLIE-KPZWWZAWSA-N 0 3 458.183 4.918 20 0 JJADHN Brc1cccc(OCCN(Cc2cccc3c2OCO3)C[C@H]2CCCS2)c1 ZINC001462169982 1068020976 /nfs/dbraw/zinc/02/09/76/1068020976.db2.gz LBAGSHAOBQNXLE-LJQANCHMSA-N 0 3 450.398 4.954 20 0 JJADHN C[C@@H]1C[C@H](NCc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255830 1068039012 /nfs/dbraw/zinc/03/90/12/1068039012.db2.gz AMQKFOHJFLZNBV-ZBFHGGJFSA-N 0 3 453.222 4.607 20 0 JJADHN O[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293087 1068045443 /nfs/dbraw/zinc/04/54/43/1068045443.db2.gz HODBWIKSXYUPTB-OFNKIYASSA-N 0 3 458.375 4.779 20 0 JJADHN COc1cc(CC2CN(Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)cc(OC)c1 ZINC001462321317 1068050554 /nfs/dbraw/zinc/05/05/54/1068050554.db2.gz CMTZHBAEDWKIHA-UHFFFAOYSA-N 0 3 458.624 4.733 20 0 JJADHN C[C@H]1CN(Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442329 1068075228 /nfs/dbraw/zinc/07/52/28/1068075228.db2.gz QROFWFJITDBHMD-LPHOPBHVSA-N 0 3 450.645 4.841 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460715 1068079414 /nfs/dbraw/zinc/07/94/14/1068079414.db2.gz ZHAFOBITZZTWHB-HXUWFJFHSA-N 0 3 455.496 4.655 20 0 JJADHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001462536115 1068093419 /nfs/dbraw/zinc/09/34/19/1068093419.db2.gz BALTWVJQULFJEQ-DEOSSOPVSA-N 0 3 451.611 4.838 20 0 JJADHN CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001462947670 1068225163 /nfs/dbraw/zinc/22/51/63/1068225163.db2.gz TWAGMGYAEMDSKI-NRFANRHFSA-N 0 3 459.556 4.801 20 0 JJADHN C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003810 1068246314 /nfs/dbraw/zinc/24/63/14/1068246314.db2.gz VRSVOLLEQRQZCG-NYHFZMIOSA-N 0 3 452.904 4.907 20 0 JJADHN C[C@@H]([NH2+]C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1)c1ccccc1 ZINC001463034965 1068258945 /nfs/dbraw/zinc/25/89/45/1068258945.db2.gz KIYOMUVDTXHQGA-OAHLLOKOSA-N 0 3 455.393 4.530 20 0 JJADHN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC001463277047 1068342102 /nfs/dbraw/zinc/34/21/02/1068342102.db2.gz DKGQKMMJAWPFMH-LADGPHEKSA-N 0 3 454.636 4.591 20 0 JJADHN CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CCN(Cc2ccccc2)CC1 ZINC001463362418 1068371913 /nfs/dbraw/zinc/37/19/13/1068371913.db2.gz AHTRZDZBDYNPPT-NRFANRHFSA-N 0 3 454.014 4.596 20 0 JJADHN CC1(C)C[C@H](NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417959 1068391379 /nfs/dbraw/zinc/39/13/79/1068391379.db2.gz INFRIXAANCPBEX-ZRBLBEILSA-N 0 3 477.070 4.574 20 0 JJADHN COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Br)N2CCCC2)cc1 ZINC001463566057 1068447474 /nfs/dbraw/zinc/44/74/74/1068447474.db2.gz PRZXGQLUFBSEAB-FQEVSTJZSA-N 0 3 451.792 4.607 20 0 JJADHN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001463577292 1068453198 /nfs/dbraw/zinc/45/31/98/1068453198.db2.gz VNECGCJEVQDOPZ-SXLOBPIMSA-N 0 3 451.677 4.967 20 0 JJADHN CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001463577285 1068453234 /nfs/dbraw/zinc/45/32/34/1068453234.db2.gz VNECGCJEVQDOPZ-DFQSSKMNSA-N 0 3 451.677 4.967 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1cccc(OC)c1 ZINC001463909982 1068562379 /nfs/dbraw/zinc/56/23/79/1068562379.db2.gz BWTDDUIPGWZJGF-JOCHJYFZSA-N 0 3 452.624 4.701 20 0 JJADHN CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC001464103360 1068616667 /nfs/dbraw/zinc/61/66/67/1068616667.db2.gz YIOOIWWBVOWOGW-BJKOFHAPSA-N 0 3 451.611 4.514 20 0 JJADHN O=C(CC1(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCCC1)Nc1nccs1 ZINC001464108173 1068618091 /nfs/dbraw/zinc/61/80/91/1068618091.db2.gz WKRNRHRQZXCLGQ-NRFANRHFSA-N 0 3 454.640 4.593 20 0 JJADHN CCN1CCN(CCCNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)CC1 ZINC001464139429 1068631156 /nfs/dbraw/zinc/63/11/56/1068631156.db2.gz KJORFIMLFLFHHA-UHFFFAOYSA-N 0 3 452.451 4.902 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccsc1 ZINC001464141957 1068632441 /nfs/dbraw/zinc/63/24/41/1068632441.db2.gz SFPSNACLHXNCLW-FQEVSTJZSA-N 0 3 450.048 4.877 20 0 JJADHN CC(C)(NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1 ZINC001464166845 1068640940 /nfs/dbraw/zinc/64/09/40/1068640940.db2.gz ZSJMKQJKDIQIQD-LJQANCHMSA-N 0 3 451.355 4.958 20 0 JJADHN CC(C)[C@H](C(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)N(C)C ZINC001464205849 1068656149 /nfs/dbraw/zinc/65/61/49/1068656149.db2.gz IPRFQMQESLNYFC-PZJWPPBQSA-N 0 3 454.467 4.857 20 0 JJADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281085 1068689396 /nfs/dbraw/zinc/68/93/96/1068689396.db2.gz KWNGEBBKMDATRZ-LADGPHEKSA-N 0 3 458.021 4.687 20 0 JJADHN CO[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395043 1068730274 /nfs/dbraw/zinc/73/02/74/1068730274.db2.gz AQQPKJVCNQPWCW-YLJYHZDGSA-N 0 3 451.430 4.788 20 0 JJADHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464472775 1068759530 /nfs/dbraw/zinc/75/95/30/1068759530.db2.gz OLUJNFLBVKUYSP-UYAOXDASSA-N 0 3 455.027 4.878 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1ccn(CCc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001464491526 1068765210 /nfs/dbraw/zinc/76/52/10/1068765210.db2.gz FOMHPKRWKZYWEQ-HSZRJFAPSA-N 0 3 458.528 4.958 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)N2CCCC2)cc1 ZINC001464589210 1068792504 /nfs/dbraw/zinc/79/25/04/1068792504.db2.gz UTHBVJYSTXLXTL-JOCHJYFZSA-N 0 3 452.002 4.919 20 0 JJADHN CCN1CCN(CCC(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(C)c2)CC1 ZINC001464599830 1068795252 /nfs/dbraw/zinc/79/52/52/1068795252.db2.gz SCTBWQPCLXOPRQ-UHFFFAOYSA-N 0 3 450.410 4.738 20 0 JJADHN FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164389838 718825840 /nfs/dbraw/zinc/82/58/40/718825840.db2.gz JURNFECOIQUCQT-SJORKVTESA-N 0 3 476.980 4.612 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC2)CC1 ZINC001164614617 719025488 /nfs/dbraw/zinc/02/54/88/719025488.db2.gz VJSQEVARQVMDNB-UHFFFAOYSA-N 0 3 451.945 4.677 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cccc4c(Cl)nccc43)CC2)CC1 ZINC001164616419 719030032 /nfs/dbraw/zinc/03/00/32/719030032.db2.gz DNRFXXSQCZFPAR-UHFFFAOYSA-N 0 3 451.945 4.677 20 0 JJADHN Fc1ccc(CN2CCOCC23CCN(c2nc(N4CCCC4)cc4ccccc42)CC3)cc1 ZINC001164674017 719526639 /nfs/dbraw/zinc/52/66/39/719526639.db2.gz YWCAOXUGSQJWOF-UHFFFAOYSA-N 0 3 460.597 4.846 20 0 JJADHN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838092 720736234 /nfs/dbraw/zinc/73/62/34/720736234.db2.gz RMOFVZJQYTZOEN-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845181 720740032 /nfs/dbraw/zinc/74/00/32/720740032.db2.gz WUJZZJVEMZCDCF-UHFFFAOYSA-N 0 3 464.973 4.652 20 0 JJADHN Fc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164844734 720741970 /nfs/dbraw/zinc/74/19/70/720741970.db2.gz SSOWBNOEOOWDNU-UHFFFAOYSA-N 0 3 476.934 4.730 20 0 JJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2C ZINC001164859686 721004208 /nfs/dbraw/zinc/00/42/08/721004208.db2.gz LJIMCQMRXYZQLI-IBGZPJMESA-N 0 3 493.725 4.784 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@H]3C2)cn1 ZINC001164773811 721128225 /nfs/dbraw/zinc/12/82/25/721128225.db2.gz ZCZNQRYGQWINOS-NHCUHLMSSA-N 0 3 458.997 4.642 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@@H]3C2)cn1 ZINC001164769070 721153570 /nfs/dbraw/zinc/15/35/70/721153570.db2.gz PHYMBTHHVFFANH-DQEYMECFSA-N 0 3 453.590 4.506 20 0 JJADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164762140 721153686 /nfs/dbraw/zinc/15/36/86/721153686.db2.gz CCATUTNQZIATPZ-SFTDATJTSA-N 0 3 489.023 4.651 20 0 JJADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164762133 721154746 /nfs/dbraw/zinc/15/47/46/721154746.db2.gz CCATUTNQZIATPZ-NHCUHLMSSA-N 0 3 489.023 4.651 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773659 721156296 /nfs/dbraw/zinc/15/62/96/721156296.db2.gz YNYYZERBUJXQOM-LEWJYISDSA-N 0 3 458.997 4.642 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nc5)ccc4C4OCCCO4)C[C@@H]3C2)cn1 ZINC001164774415 721178073 /nfs/dbraw/zinc/17/80/73/721178073.db2.gz YZXVLQWLHGPQFB-PKTZIBPZSA-N 0 3 494.039 4.529 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@H]3C2)cn1 ZINC001164766988 721195771 /nfs/dbraw/zinc/19/57/71/721195771.db2.gz JVAORFUKCNFCHA-RTBURBONSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@H]3C2)cn1 ZINC001164767796 721199369 /nfs/dbraw/zinc/19/93/69/721199369.db2.gz KPFDTKMKWUOGAI-RBUKOAKNSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771886 721201079 /nfs/dbraw/zinc/20/10/79/721201079.db2.gz RSQSIRVZFCBVQH-MSOLQXFVSA-N 0 3 476.675 4.600 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761324 721216872 /nfs/dbraw/zinc/21/68/72/721216872.db2.gz AMAYJGBDJOTCEO-FTJBHMTQSA-N 0 3 450.590 4.502 20 0 JJADHN Cc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769486 721221968 /nfs/dbraw/zinc/22/19/68/721221968.db2.gz MNOZWMXFDNPGPP-SXOMAYOGSA-N 0 3 464.617 4.811 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762586 721227636 /nfs/dbraw/zinc/22/76/36/721227636.db2.gz LFIBMMZJXMRNFL-ZEQRLZLVSA-N 0 3 466.589 4.628 20 0 JJADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898767 721442877 /nfs/dbraw/zinc/44/28/77/721442877.db2.gz WYGPKPUVXONFHF-GRKNLSHJSA-N 0 3 497.687 4.884 20 0 JJADHN Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898769 721443027 /nfs/dbraw/zinc/44/30/27/721443027.db2.gz WYGPKPUVXONFHF-IZEXYCQBSA-N 0 3 497.687 4.884 20 0 JJADHN C[C@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CCN(Cc6ccccn6)C5)C4)c23)C1 ZINC001164905376 721702795 /nfs/dbraw/zinc/70/27/95/721702795.db2.gz ISUPSGDASOPVLH-XDHUDOTRSA-N 0 3 469.605 4.949 20 0 JJADHN FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904900 721705493 /nfs/dbraw/zinc/70/54/93/721705493.db2.gz FJONYUTUXSFBAU-QHCPKHFHSA-N 0 3 455.940 4.930 20 0 JJADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908230 721707855 /nfs/dbraw/zinc/70/78/55/721707855.db2.gz WMRHWFYKGSGCQX-SANMLTNESA-N 0 3 492.549 4.751 20 0 JJADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906480 721720079 /nfs/dbraw/zinc/72/00/79/721720079.db2.gz MHYNGSUQWOQNKB-QFIPXVFZSA-N 0 3 460.960 4.798 20 0 JJADHN FC1(F)CCN(c2ncc(Cl)nc2-c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911245 721728386 /nfs/dbraw/zinc/72/83/86/721728386.db2.gz JJEWEJLXEZJNLB-QHCPKHFHSA-N 0 3 455.940 4.930 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912609 721733246 /nfs/dbraw/zinc/73/32/46/721733246.db2.gz OTTWLSFPHYYWAB-XMMPIXPASA-N 0 3 478.572 4.886 20 0 JJADHN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c1 ZINC001164938043 721914209 /nfs/dbraw/zinc/91/42/09/721914209.db2.gz VAWSALUFLHJMGX-CALCHBBNSA-N 0 3 474.659 4.942 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H](c4ccncc4)C3)c21 ZINC001165040884 721928618 /nfs/dbraw/zinc/92/86/18/721928618.db2.gz SDFRYVLICFHOFH-NRFANRHFSA-N 0 3 474.992 4.786 20 0 JJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962398 722061105 /nfs/dbraw/zinc/06/11/05/722061105.db2.gz RMZOCPIQBJIFMN-UHFFFAOYSA-N 0 3 472.967 4.947 20 0 JJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964311 722061928 /nfs/dbraw/zinc/06/19/28/722061928.db2.gz FTJZBRVEAFQVSF-UHFFFAOYSA-N 0 3 472.967 4.989 20 0 JJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985808 722107756 /nfs/dbraw/zinc/10/77/56/722107756.db2.gz WYSXCJSIYBEZLO-FNZWTVRRSA-N 0 3 487.554 4.697 20 0 JJADHN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976317 722123069 /nfs/dbraw/zinc/12/30/69/722123069.db2.gz LEVIVFSOEHRJBM-APWZRJJASA-N 0 3 494.373 4.604 20 0 JJADHN c1ccc(COc2ccc3nc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc3c2)cc1 ZINC001164983205 722126131 /nfs/dbraw/zinc/12/61/31/722126131.db2.gz YMDBCYIVRGEEHH-GGXMVOPNSA-N 0 3 480.612 4.936 20 0 JJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981173 722126698 /nfs/dbraw/zinc/12/66/98/722126698.db2.gz UCCNWHMXTWSPIS-CTNGQTDRSA-N 0 3 458.940 4.555 20 0 JJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975171 722129856 /nfs/dbraw/zinc/12/98/56/722129856.db2.gz FGAAFGPKTTZEDL-LAUBAEHRSA-N 0 3 473.404 4.673 20 0 JJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976030 722148949 /nfs/dbraw/zinc/14/89/49/722148949.db2.gz GLEVAGWYHYPRJR-SIKLNZKXSA-N 0 3 458.940 4.555 20 0 JJADHN Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971675 722154692 /nfs/dbraw/zinc/15/46/92/722154692.db2.gz CXKCKCIYXQRMSN-PGRDOPGGSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977146 722154969 /nfs/dbraw/zinc/15/49/69/722154969.db2.gz XOJLNBVONLENNE-XMSQKQJNSA-N 0 3 486.403 4.698 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545862761 1064270768 /nfs/dbraw/zinc/27/07/68/1064270768.db2.gz RUUYRAXBJXBBBQ-UPVQGACJSA-N 0 3 480.701 4.906 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1OCC ZINC001545865094 1064272334 /nfs/dbraw/zinc/27/23/34/1064272334.db2.gz OBVGETIBECQPBY-LJQANCHMSA-N 0 3 452.595 4.517 20 0 JJADHN CC(C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@H](c1ccccc1)N(C)C ZINC001359727427 1064274114 /nfs/dbraw/zinc/27/41/14/1064274114.db2.gz UGOQXUCUDIVUOP-ZRBLBEILSA-N 0 3 482.673 4.540 20 0 JJADHN CN(CCNC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)Cc1ccccc1 ZINC001434876627 1064310475 /nfs/dbraw/zinc/31/04/75/1064310475.db2.gz HZAZUMDFPDOZLZ-UHFFFAOYSA-N 0 3 458.602 4.562 20 0 JJADHN Cc1cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883969 1064315952 /nfs/dbraw/zinc/31/59/52/1064315952.db2.gz QCUPZDUPGWFAEG-FXAWDEMLSA-N 0 3 453.384 4.509 20 0 JJADHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001359746660 1064325410 /nfs/dbraw/zinc/32/54/10/1064325410.db2.gz KVTCSEUUYMQJBA-UXHICEINSA-N 0 3 460.047 4.824 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001435064899 1064484375 /nfs/dbraw/zinc/48/43/75/1064484375.db2.gz OVSWZDMDVVFSMU-UHFFFAOYSA-N 0 3 456.993 4.723 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1Br ZINC001359845417 1064531203 /nfs/dbraw/zinc/53/12/03/1064531203.db2.gz YAQQTXUFWXNNHT-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc2c(cncc2Cl)s1 ZINC001359846801 1064532814 /nfs/dbraw/zinc/53/28/14/1064532814.db2.gz AGGUGAJEMIEXAG-UHFFFAOYSA-N 0 3 452.805 4.916 20 0 JJADHN COCCOc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC001359847746 1064534011 /nfs/dbraw/zinc/53/40/11/1064534011.db2.gz VKVJQLWNQURFDL-UHFFFAOYSA-N 0 3 451.394 4.757 20 0 JJADHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc(Cl)c1OCC(C)C ZINC001359851349 1064538408 /nfs/dbraw/zinc/53/84/08/1064538408.db2.gz JJNMJEAVJPODEO-UHFFFAOYSA-N 0 3 454.945 4.866 20 0 JJADHN CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCc1cc(Br)ccc1F ZINC001359855170 1064542668 /nfs/dbraw/zinc/54/26/68/1064542668.db2.gz DUIJMURZRJMOFM-UHFFFAOYSA-N 0 3 478.454 4.686 20 0 JJADHN CSc1cccc(N(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)C2CCN(C)CC2)c1 ZINC001435148040 1064548187 /nfs/dbraw/zinc/54/81/87/1064548187.db2.gz IVUHYOMLXAWPLI-GOSISDBHSA-N 0 3 452.546 4.629 20 0 JJADHN CC1CCC(N2CCN(C(=O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)CC1 ZINC001435168885 1064564818 /nfs/dbraw/zinc/56/48/18/1064564818.db2.gz FQOZRIJUHLEIRG-UHFFFAOYSA-N 0 3 454.998 4.673 20 0 JJADHN CC(C)CCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001359901760 1064611379 /nfs/dbraw/zinc/61/13/79/1064611379.db2.gz CBRGOZCZORBOEK-UHFFFAOYSA-N 0 3 488.055 4.971 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC(C)C)cc1 ZINC001359951785 1064711119 /nfs/dbraw/zinc/71/11/19/1064711119.db2.gz FSPJKZNVLCIVGZ-UHFFFAOYSA-N 0 3 469.674 4.575 20 0 JJADHN CC(C)CCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359963892 1064736750 /nfs/dbraw/zinc/73/67/50/1064736750.db2.gz FAWGMGGGTGPIMW-HXUWFJFHSA-N 0 3 461.626 4.540 20 0 JJADHN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001359971475 1064748144 /nfs/dbraw/zinc/74/81/44/1064748144.db2.gz XGUVHHWRFSVDFO-LJQANCHMSA-N 0 3 475.435 4.948 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2nccs2)CC1 ZINC001360016145 1064814802 /nfs/dbraw/zinc/81/48/02/1064814802.db2.gz XLONPTBHXBEQKU-IBGZPJMESA-N 0 3 489.089 4.939 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(F)(F)Br)CC1 ZINC001360017464 1064817772 /nfs/dbraw/zinc/81/77/72/1064817772.db2.gz GDAQMXXRZMNULO-UHFFFAOYSA-N 0 3 480.760 4.503 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(C)CCCO2)CC1 ZINC001360018354 1064819467 /nfs/dbraw/zinc/81/94/67/1064819467.db2.gz NYEAHDIALUCDSC-JOCHJYFZSA-N 0 3 496.881 4.708 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCSC2)CC1 ZINC001360018904 1064820961 /nfs/dbraw/zinc/82/09/61/1064820961.db2.gz YJSCRKRKXZFNDS-INIZCTEOSA-N 0 3 454.471 4.783 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001360018659 1064820998 /nfs/dbraw/zinc/82/09/98/1064820998.db2.gz UABBZDAKABPEKW-YADHBBJMSA-N 0 3 453.675 4.836 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCSc2ccccc2)CC1 ZINC001360018653 1064821122 /nfs/dbraw/zinc/82/11/22/1064821122.db2.gz SLGAUHVEJVIUCH-UHFFFAOYSA-N 0 3 489.487 4.606 20 0 JJADHN CCOc1ccc([C@@]2(C(=O)N(CCN(C)C)Cc3ccccc3F)CC2(Cl)Cl)cc1 ZINC001360019394 1064821817 /nfs/dbraw/zinc/82/18/17/1064821817.db2.gz MVMJUSJHBNJVBZ-JOCHJYFZSA-N 0 3 453.385 4.630 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC2(C)C)CC1 ZINC001360018979 1064822009 /nfs/dbraw/zinc/82/20/09/1064822009.db2.gz WJSXMUHSWDJKLV-OAHLLOKOSA-N 0 3 452.466 4.593 20 0 JJADHN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)cc1 ZINC001360019488 1064822740 /nfs/dbraw/zinc/82/27/40/1064822740.db2.gz QRORAZWKIHFSLM-GOSISDBHSA-N 0 3 459.428 4.982 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(Oc2ccccn2)c1 ZINC001360028472 1064830138 /nfs/dbraw/zinc/83/01/38/1064830138.db2.gz IUIZCPVXJQELIG-UHFFFAOYSA-N 0 3 454.368 4.840 20 0 JJADHN Cc1nc2cc(C(=O)N(CCN3CCCC3)Cc3ccc(Cl)c(Cl)c3)ccc2c(=O)[nH]1 ZINC001360028677 1064830270 /nfs/dbraw/zinc/83/02/70/1064830270.db2.gz PPXAXZQYFMMIPE-UHFFFAOYSA-N 0 3 459.377 4.689 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCC(C)(F)F)CC1 ZINC001360033612 1064835869 /nfs/dbraw/zinc/83/58/69/1064835869.db2.gz FVSVFXKVTNYBBH-UHFFFAOYSA-N 0 3 463.617 4.978 20 0 JJADHN CC(C)CN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2ccncc2)CC1 ZINC001360033659 1064836116 /nfs/dbraw/zinc/83/61/16/1064836116.db2.gz HCYCJZBJJHIIFL-UHFFFAOYSA-N 0 3 471.074 4.640 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@@H]2CCCCO2)CC1 ZINC001360033528 1064836205 /nfs/dbraw/zinc/83/62/05/1064836205.db2.gz COZKLTMGJDMPQY-FQEVSTJZSA-N 0 3 496.483 4.901 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2=CCCCC2)CC1 ZINC001360033757 1064837188 /nfs/dbraw/zinc/83/71/88/1064837188.db2.gz JKJXDJOHJNROAJ-QFIPXVFZSA-N 0 3 472.678 4.629 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001360035176 1064839844 /nfs/dbraw/zinc/83/98/44/1064839844.db2.gz JWVVUVXZLMIGDU-UHFFFAOYSA-N 0 3 457.496 4.883 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(Br)c1 ZINC001435601533 1064865840 /nfs/dbraw/zinc/86/58/40/1064865840.db2.gz XZCSQNVSEUUEAA-HXUWFJFHSA-N 0 3 457.347 4.792 20 0 JJADHN CC(C)COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001360050445 1064875272 /nfs/dbraw/zinc/87/52/72/1064875272.db2.gz SPHMCPMVGUJFLM-QHCPKHFHSA-N 0 3 455.647 4.523 20 0 JJADHN Cc1cc(NC(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001435613229 1064875823 /nfs/dbraw/zinc/87/58/23/1064875823.db2.gz BNLQYRQNCJQRSF-XPWALMASSA-N 0 3 481.641 4.661 20 0 JJADHN COc1ccc(SCCCC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001435616991 1064879713 /nfs/dbraw/zinc/87/97/13/1064879713.db2.gz MBGGVTJLDJMVOC-OAQYLSRUSA-N 0 3 450.608 4.850 20 0 JJADHN CN(C)c1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001435617463 1064879781 /nfs/dbraw/zinc/87/97/81/1064879781.db2.gz QCYVTISVDVSFSQ-HXUWFJFHSA-N 0 3 457.500 4.667 20 0 JJADHN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1CCN(C2CCCCC2)CC1 ZINC001435630056 1064891105 /nfs/dbraw/zinc/89/11/05/1064891105.db2.gz XLVSOWKNOKZVGO-UHFFFAOYSA-N 0 3 454.459 4.654 20 0 JJADHN CC(C)COCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360066596 1064909444 /nfs/dbraw/zinc/90/94/44/1064909444.db2.gz LBEJLKGCVVMYJP-FQEVSTJZSA-N 0 3 461.626 4.540 20 0 JJADHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001360099820 1064978724 /nfs/dbraw/zinc/97/87/24/1064978724.db2.gz QGLIKYLTRCLLQM-OAQYLSRUSA-N 0 3 453.345 4.792 20 0 JJADHN CCOC(=O)C1CCC(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC001435854741 1065026599 /nfs/dbraw/zinc/02/65/99/1065026599.db2.gz HSEGZBXVVHGTQY-QPFKGPCDSA-N 0 3 450.570 4.756 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)C1(Cc2ccccc2Br)CC1 ZINC001360147977 1065050607 /nfs/dbraw/zinc/05/06/07/1065050607.db2.gz NXKULNLTZWKQBS-UHFFFAOYSA-N 0 3 451.474 4.640 20 0 JJADHN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001360148077 1065050674 /nfs/dbraw/zinc/05/06/74/1065050674.db2.gz QHDSAFWWMLTVTA-MRXNPFEDSA-N 0 3 457.503 4.798 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975759 1065088761 /nfs/dbraw/zinc/08/87/61/1065088761.db2.gz MEKZCJFKVXOQSA-DHIUTWEWSA-N 0 3 458.647 4.631 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995857 1065098621 /nfs/dbraw/zinc/09/86/21/1065098621.db2.gz WOBJSFZNGLNARQ-QHCPKHFHSA-N 0 3 458.444 4.936 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994961 1065098849 /nfs/dbraw/zinc/09/88/49/1065098849.db2.gz NCIPJWBOXNILSH-NRFANRHFSA-N 0 3 455.400 4.521 20 0 JJADHN C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056767 1065149391 /nfs/dbraw/zinc/14/93/91/1065149391.db2.gz SSJVUGDFWVUBAJ-PXAZEXFGSA-N 0 3 451.436 4.794 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)COc3ccccc3C(C)(C)C)c(OCC)c2)CC1 ZINC001436103798 1065182071 /nfs/dbraw/zinc/18/20/71/1065182071.db2.gz UNYLVXAEHHCYNA-UHFFFAOYSA-N 0 3 453.627 4.932 20 0 JJADHN Cc1ccc(-c2csc3ncnc(SCC(=O)NC[C@@H]4N(C)CCCC4(C)C)c23)cc1 ZINC001436155031 1065218857 /nfs/dbraw/zinc/21/88/57/1065218857.db2.gz BEQYYZNCIIALRG-IBGZPJMESA-N 0 3 454.665 4.995 20 0 JJADHN Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)c2n1 ZINC001360387235 1065251730 /nfs/dbraw/zinc/25/17/30/1065251730.db2.gz DJRFKLJLUZADCC-OAQYLSRUSA-N 0 3 450.970 4.615 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](OCC3CC3)c3ccc(Cl)cc3)cc2)CC1 ZINC001436211489 1065254172 /nfs/dbraw/zinc/25/41/72/1065254172.db2.gz AVCWSBREQNEBIC-RUZDIDTESA-N 0 3 456.030 4.768 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)C1 ZINC001436279495 1065285581 /nfs/dbraw/zinc/28/55/81/1065285581.db2.gz MXHMLULOAZNTOT-LJQANCHMSA-N 0 3 456.512 4.544 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001436282089 1065286277 /nfs/dbraw/zinc/28/62/77/1065286277.db2.gz YFBXFHUYPNZWTH-NRFANRHFSA-N 0 3 451.998 4.920 20 0 JJADHN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281617 1065286488 /nfs/dbraw/zinc/28/64/88/1065286488.db2.gz VBZNJYMVIXSHAM-HXUWFJFHSA-N 0 3 459.565 4.981 20 0 JJADHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001436432387 1065318055 /nfs/dbraw/zinc/31/80/55/1065318055.db2.gz SCNTUVRAVXKLTR-LADGPHEKSA-N 0 3 459.675 4.824 20 0 JJADHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)N(C)C ZINC001360448449 1065339504 /nfs/dbraw/zinc/33/95/04/1065339504.db2.gz RDIYZONPWIJSRP-IFMALSPDSA-N 0 3 496.725 4.887 20 0 JJADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC001436564212 1065365939 /nfs/dbraw/zinc/36/59/39/1065365939.db2.gz HQRCZMQWMMZGNW-HXUWFJFHSA-N 0 3 455.558 4.864 20 0 JJADHN CCSc1ccccc1CC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605012 1065395980 /nfs/dbraw/zinc/39/59/80/1065395980.db2.gz LFZRVHFMNHFOKY-UHFFFAOYSA-N 0 3 458.071 4.808 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCC1 ZINC001436630695 1065408323 /nfs/dbraw/zinc/40/83/23/1065408323.db2.gz CCJBQGRYWQNFFR-BJKOFHAPSA-N 0 3 481.612 4.747 20 0 JJADHN Cc1cc(Br)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1Br ZINC001436935309 1065475580 /nfs/dbraw/zinc/47/55/80/1065475580.db2.gz JXWOOUPYSSHWGE-UZLBHIALSA-N 0 3 478.228 4.867 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2OC)n1C[C@H](C)N1CCC(C)CC1 ZINC001545904459 1065503950 /nfs/dbraw/zinc/50/39/50/1065503950.db2.gz VUNJOUWUXQAZSD-XUZZJYLKSA-N 0 3 496.700 4.667 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001437278213 1065529057 /nfs/dbraw/zinc/52/90/57/1065529057.db2.gz OXTCZSYWZQOFIJ-YCRPNKLZSA-N 0 3 451.792 4.651 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ncc(Cc4c(F)cccc4F)s3)cc2)CC1 ZINC001437755645 1065602184 /nfs/dbraw/zinc/60/21/84/1065602184.db2.gz VKFOXNDZFOPQJR-UHFFFAOYSA-N 0 3 456.562 4.795 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CSc2ccccc2OC)cc1 ZINC001438343649 1065713415 /nfs/dbraw/zinc/71/34/15/1065713415.db2.gz WMKINLDFJNXCAV-BJKOFHAPSA-N 0 3 462.615 4.580 20 0 JJADHN C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)C1 ZINC001360657828 1065727473 /nfs/dbraw/zinc/72/74/73/1065727473.db2.gz DFGKHKMJASCCMK-SDUSCBPUSA-N 0 3 457.659 4.947 20 0 JJADHN C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)C1 ZINC001360657826 1065727728 /nfs/dbraw/zinc/72/77/28/1065727728.db2.gz DFGKHKMJASCCMK-IEZKXTBUSA-N 0 3 457.659 4.947 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@](C)(O)c1ccco1 ZINC001360748763 1065790840 /nfs/dbraw/zinc/79/08/40/1065790840.db2.gz FWFRSBSCFNARRE-HRFSGMKKSA-N 0 3 499.631 4.616 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001360748764 1065791109 /nfs/dbraw/zinc/79/11/09/1065791109.db2.gz FWFRSBSCFNARRE-NFQMXDRXSA-N 0 3 499.631 4.616 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN1CCCCC1 ZINC001360774731 1065874713 /nfs/dbraw/zinc/87/47/13/1065874713.db2.gz OZQRUBSCGXQOBM-FQEVSTJZSA-N 0 3 473.637 4.827 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1c(C)oc2ccccc21 ZINC001545925393 1065878266 /nfs/dbraw/zinc/87/82/66/1065878266.db2.gz KPKMKIXOHUKAQT-UHFFFAOYSA-N 0 3 494.684 4.858 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2cccs2)CC1 ZINC001440389651 1065936820 /nfs/dbraw/zinc/93/68/20/1065936820.db2.gz OYKPWMRCYOWYGC-FZOAFFARSA-N 0 3 461.672 4.817 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001360832267 1065943788 /nfs/dbraw/zinc/94/37/88/1065943788.db2.gz IQGDPRMMLAEXIG-GOSISDBHSA-N 0 3 478.106 4.963 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001440539882 1065948312 /nfs/dbraw/zinc/94/83/12/1065948312.db2.gz QZERYSAAKRZODV-KXBFYZLASA-N 0 3 451.792 4.823 20 0 JJADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(I)c1 ZINC001440676161 1065962870 /nfs/dbraw/zinc/96/28/70/1065962870.db2.gz XJYPADGAMBURCL-GOSISDBHSA-N 0 3 454.739 4.512 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001360851284 1065964230 /nfs/dbraw/zinc/96/42/30/1065964230.db2.gz GBHSFBQNDDIXQR-LJQANCHMSA-N 0 3 473.444 4.584 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001440679878 1065964783 /nfs/dbraw/zinc/96/47/83/1065964783.db2.gz VXKVLNMVSYCODF-SFTDATJTSA-N 0 3 455.624 4.883 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001440679866 1065964888 /nfs/dbraw/zinc/96/48/88/1065964888.db2.gz VXKVLNMVSYCODF-RTWAWAEBSA-N 0 3 455.624 4.883 20 0 JJADHN CN1CCN(CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238073 1066017930 /nfs/dbraw/zinc/01/79/30/1066017930.db2.gz FPIAACWSCMEIHB-URLMMPGGSA-N 0 3 455.646 4.898 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1C ZINC001360876801 1066021129 /nfs/dbraw/zinc/02/11/29/1066021129.db2.gz BKYFLCQHKZGPKA-CUNXSJBXSA-N 0 3 469.674 4.507 20 0 JJADHN CCOc1ccccc1-c1cccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001441252552 1066021469 /nfs/dbraw/zinc/02/14/69/1066021469.db2.gz ZUBGBZQTQRLNLM-HHHXNRCGSA-N 0 3 457.618 4.861 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CCCc2nccs2)c1C ZINC001360876844 1066021568 /nfs/dbraw/zinc/02/15/68/1066021568.db2.gz BWZJQVCNUMRGFP-QFIPXVFZSA-N 0 3 482.698 4.902 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC2CCOCC2)c1C ZINC001360878749 1066026964 /nfs/dbraw/zinc/02/69/64/1066026964.db2.gz ZQFFILAAJFBJQU-HSZRJFAPSA-N 0 3 499.700 4.541 20 0 JJADHN CC1=C(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001360891896 1066043389 /nfs/dbraw/zinc/04/33/89/1066043389.db2.gz FYVXOVMHDHUSSR-QFIPXVFZSA-N 0 3 451.640 4.811 20 0 JJADHN Cc1nc(Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(CC(C)C)CC2)sc1C ZINC001360901271 1066054591 /nfs/dbraw/zinc/05/45/91/1066054591.db2.gz KVIHFXINXCNWSC-GOSISDBHSA-N 0 3 489.089 4.971 20 0 JJADHN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC001441744711 1066066872 /nfs/dbraw/zinc/06/68/72/1066066872.db2.gz CJXPTEJVEZCZHK-UHFFFAOYSA-N 0 3 456.011 4.844 20 0 JJADHN CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001442068971 1066089606 /nfs/dbraw/zinc/08/96/06/1066089606.db2.gz FOXFMOCLOOOSPJ-IIBYNOLFSA-N 0 3 453.384 4.690 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1OCC ZINC001442284129 1066111337 /nfs/dbraw/zinc/11/13/37/1066111337.db2.gz ALINOZDXIUJNSP-VQTJNVASSA-N 0 3 452.595 4.565 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2ccc(COc3cccc(Br)c3)o2)N(C)C)cc1 ZINC001442470655 1066128506 /nfs/dbraw/zinc/12/85/06/1066128506.db2.gz FUAWLIZFFNDZDJ-OAQYLSRUSA-N 0 3 457.368 4.962 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)N(C)C)cc1 ZINC001442478150 1066130744 /nfs/dbraw/zinc/13/07/44/1066130744.db2.gz UNHDSUTYKOSUIL-APTRMMRNSA-N 0 3 459.993 4.505 20 0 JJADHN COc1ccc(Br)cc1C1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001442597739 1066142882 /nfs/dbraw/zinc/14/28/82/1066142882.db2.gz ZKBIBJDNFLDAOQ-OAQYLSRUSA-N 0 3 457.412 4.751 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)N2CCCC2)cc1 ZINC001442603185 1066143181 /nfs/dbraw/zinc/14/31/81/1066143181.db2.gz PYLJYKLMGSJMGV-XZOQPEGZSA-N 0 3 455.643 4.675 20 0 JJADHN CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001545950960 1066153093 /nfs/dbraw/zinc/15/30/93/1066153093.db2.gz ZGFMDXFJAAFRJB-NQHRYMMQSA-N 0 3 453.675 4.880 20 0 JJADHN CN1CCC[C@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996851 1066175515 /nfs/dbraw/zinc/17/55/15/1066175515.db2.gz VDEKASGRTOSNGT-QRWLVFNGSA-N 0 3 459.413 4.509 20 0 JJADHN CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545952029 1066224269 /nfs/dbraw/zinc/22/42/69/1066224269.db2.gz GWTLYTLTOCXLDU-NQOUVNBVSA-N 0 3 473.637 4.683 20 0 JJADHN CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC001442842284 1066229752 /nfs/dbraw/zinc/22/97/52/1066229752.db2.gz NUXCNEJJCUPPBG-UHFFFAOYSA-N 0 3 450.608 4.548 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCCC(C)(C)C)c1 ZINC001361031041 1066239389 /nfs/dbraw/zinc/23/93/89/1066239389.db2.gz GEZYUQOTOUHQOX-RUZDIDTESA-N 0 3 496.744 4.905 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001361035183 1066253051 /nfs/dbraw/zinc/25/30/51/1066253051.db2.gz AFCHMICSKUDJFI-OAQYLSRUSA-N 0 3 461.601 4.687 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCOc2ncccc2Cl)c1 ZINC001361035118 1066253194 /nfs/dbraw/zinc/25/31/94/1066253194.db2.gz QQWAHAXELFAZNW-UHFFFAOYSA-N 0 3 499.059 4.522 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361035400 1066253607 /nfs/dbraw/zinc/25/36/07/1066253607.db2.gz CWWRFOQAAJTFOM-UHFFFAOYSA-N 0 3 483.701 4.705 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361035479 1066253867 /nfs/dbraw/zinc/25/38/67/1066253867.db2.gz YFODEMJMQBQXEH-UHFFFAOYSA-N 0 3 476.669 4.767 20 0 JJADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001454269984 1066261310 /nfs/dbraw/zinc/26/13/10/1066261310.db2.gz OMFHLTGHCOQPRD-AREMUKBSSA-N 0 3 450.579 4.686 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361039638 1066261675 /nfs/dbraw/zinc/26/16/75/1066261675.db2.gz OULJSPNBFWSPBV-FPOVZHCZSA-N 0 3 471.696 4.780 20 0 JJADHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001443166223 1066276811 /nfs/dbraw/zinc/27/68/11/1066276811.db2.gz OLDJYKHEDUVCBV-OAQYLSRUSA-N 0 3 458.393 4.590 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399274 1066277536 /nfs/dbraw/zinc/27/75/36/1066277536.db2.gz FENDNXJOOBGAEV-AGILITTLSA-N 0 3 451.611 4.669 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399277 1066277619 /nfs/dbraw/zinc/27/76/19/1066277619.db2.gz FENDNXJOOBGAEV-FGCOXFRFSA-N 0 3 451.611 4.669 20 0 JJADHN Cc1sc2ncnc(SCCC(=O)N[C@H]3CN(Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408326 1066280150 /nfs/dbraw/zinc/28/01/50/1066280150.db2.gz SSXLOACOJXZLET-UZLBHIALSA-N 0 3 454.665 4.817 20 0 JJADHN C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001546063298 1066302548 /nfs/dbraw/zinc/30/25/48/1066302548.db2.gz MTEVZEMXYNPEKR-FQEVSTJZSA-N 0 3 459.556 4.697 20 0 JJADHN CCCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623612 1066339108 /nfs/dbraw/zinc/33/91/08/1066339108.db2.gz KIWPVAYYTKQCLM-ZJSXRUAMSA-N 0 3 457.659 4.578 20 0 JJADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012596 1066353781 /nfs/dbraw/zinc/35/37/81/1066353781.db2.gz PVHASTWWMYLSJM-NKKJXINNSA-N 0 3 451.611 4.588 20 0 JJADHN O=C(c1ccc(Oc2cccc(Cl)c2Cl)c(Cl)c1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001455309798 1066382709 /nfs/dbraw/zinc/38/27/09/1066382709.db2.gz ZVWJEGTUNXEAKR-LSDHHAIUSA-N 0 3 455.769 4.720 20 0 JJADHN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456007 1066392663 /nfs/dbraw/zinc/39/26/63/1066392663.db2.gz MXPNIBSDIOBXKJ-RPWUZVMVSA-N 0 3 459.556 4.578 20 0 JJADHN CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)CCN1CCN(CC)CC1 ZINC001443997362 1066392681 /nfs/dbraw/zinc/39/26/81/1066392681.db2.gz VXQPAAKPUFQIFG-UHFFFAOYSA-N 0 3 451.655 4.567 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H](C)c2ccc(C)cc2)n1 ZINC001361135404 1066409295 /nfs/dbraw/zinc/40/92/95/1066409295.db2.gz NNOWOOAUZDXYBE-QFIPXVFZSA-N 0 3 477.701 4.810 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@@H]3CC3(F)F)c2)N(C)C)cc1 ZINC001361139453 1066415019 /nfs/dbraw/zinc/41/50/19/1066415019.db2.gz JXLDFQFTUYAIJF-WOJBJXKFSA-N 0 3 457.573 4.998 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CCCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141608 1066421001 /nfs/dbraw/zinc/42/10/01/1066421001.db2.gz ONILNKMNWMUVMC-SHQBLQIYSA-N 0 3 469.674 4.556 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@H](CC(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141800 1066422650 /nfs/dbraw/zinc/42/26/50/1066422650.db2.gz QMTWFOIUCZUGMS-CRRLPVGBSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@H](CC(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141801 1066422665 /nfs/dbraw/zinc/42/26/65/1066422665.db2.gz QMTWFOIUCZUGMS-FKIGELJASA-N 0 3 483.701 4.802 20 0 JJADHN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444163977 1066423413 /nfs/dbraw/zinc/42/34/13/1066423413.db2.gz HASKHUBHYFRFBW-ZBLYBZFDSA-N 0 3 459.675 4.775 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506538 1066469414 /nfs/dbraw/zinc/46/94/14/1066469414.db2.gz URLCOXAZMVIALY-HSZRJFAPSA-N 0 3 455.643 4.823 20 0 JJADHN C[C@H](Sc1nc2ccccc2s1)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444537248 1066473290 /nfs/dbraw/zinc/47/32/90/1066473290.db2.gz AXQGBIBHQQNHAJ-INIZCTEOSA-N 0 3 459.612 4.576 20 0 JJADHN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444541342 1066473515 /nfs/dbraw/zinc/47/35/15/1066473515.db2.gz MJDOJSUBVLWWJG-HNNXBMFYSA-N 0 3 455.357 4.559 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(Nc2cccnc2)cc1 ZINC001444649516 1066488840 /nfs/dbraw/zinc/48/88/40/1066488840.db2.gz LYPYVVYLHNISEQ-UHFFFAOYSA-N 0 3 450.970 4.752 20 0 JJADHN O=C(CCOc1ccc(F)c(Cl)c1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444653197 1066488922 /nfs/dbraw/zinc/48/89/22/1066488922.db2.gz SSIDPSXIFIHBTR-UHFFFAOYSA-N 0 3 455.357 4.561 20 0 JJADHN CCCc1ccc(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)s1 ZINC001444650227 1066488930 /nfs/dbraw/zinc/48/89/30/1066488930.db2.gz NSEOKZLEILFKKY-UHFFFAOYSA-N 0 3 451.430 4.736 20 0 JJADHN Cc1nc2cc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3)ccc2n1Cc1ccsc1 ZINC001456051809 1066493816 /nfs/dbraw/zinc/49/38/16/1066493816.db2.gz COPHBWCGFPWPHX-UHFFFAOYSA-N 0 3 450.583 4.798 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001456057816 1066497283 /nfs/dbraw/zinc/49/72/83/1066497283.db2.gz OLTPZEAWXMZWIX-UHFFFAOYSA-N 0 3 452.549 4.759 20 0 JJADHN Cc1ccccc1-n1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC001456063178 1066499698 /nfs/dbraw/zinc/49/96/98/1066499698.db2.gz ZJLHWSPPOHWVDP-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cccn1-c1c(Cl)cccc1Cl ZINC001444748745 1066500669 /nfs/dbraw/zinc/50/06/69/1066500669.db2.gz PAEWJGXKFXMQGL-UHFFFAOYSA-N 0 3 458.389 4.671 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001456079310 1066504713 /nfs/dbraw/zinc/50/47/13/1066504713.db2.gz MBHRSSMJIWAACB-JOCHJYFZSA-N 0 3 455.046 4.593 20 0 JJADHN C[C@@H]1CN(CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@@H](C)O1 ZINC001445345687 1066560572 /nfs/dbraw/zinc/56/05/72/1066560572.db2.gz JARJGNNZMGTRKB-RTBURBONSA-N 0 3 451.449 4.657 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCCN(C)c2ccccc2)o1 ZINC001361224490 1066563338 /nfs/dbraw/zinc/56/33/38/1066563338.db2.gz VVENITCGGLOQRU-UHFFFAOYSA-N 0 3 450.631 4.541 20 0 JJADHN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)o1 ZINC001361227003 1066565356 /nfs/dbraw/zinc/56/53/56/1066565356.db2.gz DTFCYEXYMRWRQA-HFZDXXHNSA-N 0 3 469.605 4.930 20 0 JJADHN CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC001445461841 1066573799 /nfs/dbraw/zinc/57/37/99/1066573799.db2.gz NVEQAHHCLVYTMC-FQEVSTJZSA-N 0 3 453.465 4.660 20 0 JJADHN Cc1ccc(CCn2c(N3CCN(CCC(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245423 1066586996 /nfs/dbraw/zinc/58/69/96/1066586996.db2.gz OJQBHBPSEJXCIX-LJAQVGFWSA-N 0 3 497.728 4.736 20 0 JJADHN CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001545976579 1066587426 /nfs/dbraw/zinc/58/74/26/1066587426.db2.gz RZACUAXQDVZNFL-LJQANCHMSA-N 0 3 456.388 4.727 20 0 JJADHN CC[C@]1(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001546082754 1066594803 /nfs/dbraw/zinc/59/48/03/1066594803.db2.gz CCNXITCNYVLTGJ-NXQMDHLFSA-N 0 3 487.645 4.927 20 0 JJADHN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001445705294 1066607660 /nfs/dbraw/zinc/60/76/60/1066607660.db2.gz UNMWRCPGSIKTSM-UGKGYDQZSA-N 0 3 454.590 4.789 20 0 JJADHN Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(C)(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001361277637 1066635437 /nfs/dbraw/zinc/63/54/37/1066635437.db2.gz ZEZRFXGCKNBTJA-UHFFFAOYSA-N 0 3 488.558 4.558 20 0 JJADHN CC(C)N1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@@H](c2cnn(C)c2)C1 ZINC001361288026 1066646319 /nfs/dbraw/zinc/64/63/19/1066646319.db2.gz GFBGXGGEVNALJX-SCTDSRPQSA-N 0 3 452.382 4.608 20 0 JJADHN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001446293214 1066686944 /nfs/dbraw/zinc/68/69/44/1066686944.db2.gz ZQVMDFZPHVFTAA-YHWJFPNBSA-N 0 3 450.579 4.567 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CC=C(C)CC3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001492619944 1066688694 /nfs/dbraw/zinc/68/86/94/1066688694.db2.gz PMIJOUHFJOXFKD-NRFANRHFSA-N 0 3 451.640 4.995 20 0 JJADHN Cc1cnc(C2CCN(c3nnc(C(C)C)n3CCN(C)Cc3ccc(F)cc3)CC2)s1 ZINC001492632686 1066711462 /nfs/dbraw/zinc/71/14/62/1066711462.db2.gz KITOESKKOYQMGU-UHFFFAOYSA-N 0 3 456.635 4.822 20 0 JJADHN C[C@@H](C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001456892528 1066715813 /nfs/dbraw/zinc/71/58/13/1066715813.db2.gz YLSYVEAGVQKBCJ-XUZZJYLKSA-N 0 3 457.659 4.626 20 0 JJADHN Cc1ccc([C@H](Cn2ccnc2)NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585798 1066724168 /nfs/dbraw/zinc/72/41/68/1066724168.db2.gz RABJHFIPOAHHLX-ZEQRLZLVSA-N 0 3 452.549 4.515 20 0 JJADHN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC001446758400 1066736377 /nfs/dbraw/zinc/73/63/77/1066736377.db2.gz MDTOTCNXPLABIN-GIVPXCGWSA-N 0 3 454.533 4.719 20 0 JJADHN Cc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492643125 1066738357 /nfs/dbraw/zinc/73/83/57/1066738357.db2.gz ZFPZHWQZULUQNE-CTNGQTDRSA-N 0 3 456.635 4.992 20 0 JJADHN CCCOc1nc(C)ccc1C(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC001446826235 1066745590 /nfs/dbraw/zinc/74/55/90/1066745590.db2.gz XRQOQSNZTOJXOF-UHFFFAOYSA-N 0 3 458.606 4.796 20 0 JJADHN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001545990777 1066757523 /nfs/dbraw/zinc/75/75/23/1066757523.db2.gz YFNOPCORUYCSGB-JTHBVZDNSA-N 0 3 487.664 4.727 20 0 JJADHN Cc1ccc(O)c(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 ZINC001447272143 1066786871 /nfs/dbraw/zinc/78/68/71/1066786871.db2.gz DLJKOBLYBUPDIV-UHFFFAOYSA-N 0 3 453.583 4.589 20 0 JJADHN CC(C)N1CCN(c2cccc(NC(=O)c3cc4cccc(C(F)(F)F)c4[nH]c3=O)c2)CC1 ZINC001447322769 1066792447 /nfs/dbraw/zinc/79/24/47/1066792447.db2.gz WGCREAQWZMMJEL-UHFFFAOYSA-N 0 3 458.484 4.742 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC001447328560 1066793654 /nfs/dbraw/zinc/79/36/54/1066793654.db2.gz URDQGWKTPXZCPF-QFIPXVFZSA-N 0 3 456.030 4.560 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363769 1066817076 /nfs/dbraw/zinc/81/70/76/1066817076.db2.gz NJCQBVLROLQQAW-QYBDOPJKSA-N 0 3 455.599 4.652 20 0 JJADHN Cc1nc(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)cs1 ZINC001492681934 1066824807 /nfs/dbraw/zinc/82/48/07/1066824807.db2.gz LFTJNUZTPLTCMX-NVQXNPDNSA-N 0 3 482.698 4.578 20 0 JJADHN CN(C)CCSc1nc(CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cs1 ZINC001447867415 1066872336 /nfs/dbraw/zinc/87/23/36/1066872336.db2.gz KRYHOZAEJRETDI-UHFFFAOYSA-N 0 3 458.634 4.525 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447920361 1066876974 /nfs/dbraw/zinc/87/69/74/1066876974.db2.gz OBEWKFROUSUAQB-QHCPKHFHSA-N 0 3 456.542 4.751 20 0 JJADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492717160 1066883761 /nfs/dbraw/zinc/88/37/61/1066883761.db2.gz LKPMEBGTAOWUOM-QFIPXVFZSA-N 0 3 484.073 4.950 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492728075 1066897644 /nfs/dbraw/zinc/89/76/44/1066897644.db2.gz RWBQJQGJLRYOMK-UHFFFAOYSA-N 0 3 463.674 4.811 20 0 JJADHN Cc1cc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492731221 1066902110 /nfs/dbraw/zinc/90/21/10/1066902110.db2.gz ODYHXSANTYOWIE-BJKOFHAPSA-N 0 3 481.664 4.964 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126875 1066902588 /nfs/dbraw/zinc/90/25/88/1066902588.db2.gz UOJZRFHVDWDOAD-DHIUTWEWSA-N 0 3 451.611 4.798 20 0 JJADHN CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001457734315 1066906600 /nfs/dbraw/zinc/90/66/00/1066906600.db2.gz YLFIZVQJPDPJGG-MRXNPFEDSA-N 0 3 459.363 4.809 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCN(C)Cc2ccccc2)n1 ZINC001492740231 1066915231 /nfs/dbraw/zinc/91/52/31/1066915231.db2.gz MZZNPDRUKONWRW-QHCPKHFHSA-N 0 3 463.674 4.677 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001492740837 1066916228 /nfs/dbraw/zinc/91/62/28/1066916228.db2.gz KNCTUZIERJMPBV-DEOSSOPVSA-N 0 3 479.604 4.590 20 0 JJADHN CN(C)Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)c1 ZINC001448354428 1066919051 /nfs/dbraw/zinc/91/90/51/1066919051.db2.gz NHCQCBGENMAMOP-JOCHJYFZSA-N 0 3 458.002 4.836 20 0 JJADHN C[C@H](C(=O)N1CCOc2ccc(Br)cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC001448354167 1066919118 /nfs/dbraw/zinc/91/91/18/1066919118.db2.gz MYBQLPMNOBTECY-GOSISDBHSA-N 0 3 457.412 4.513 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001492744993 1066920428 /nfs/dbraw/zinc/92/04/28/1066920428.db2.gz DOCVTVJEGIQXLF-JOCHJYFZSA-N 0 3 489.590 4.611 20 0 JJADHN CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001457798247 1066923163 /nfs/dbraw/zinc/92/31/63/1066923163.db2.gz SYRBCBHMVCRWRS-QFIPXVFZSA-N 0 3 453.380 4.714 20 0 JJADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC001448917799 1066969559 /nfs/dbraw/zinc/96/95/59/1066969559.db2.gz CLMAIVUCRBAZTJ-UHFFFAOYSA-N 0 3 457.949 4.922 20 0 JJADHN CSc1cc(Br)ccc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001448919239 1066969617 /nfs/dbraw/zinc/96/96/17/1066969617.db2.gz GGGJYQBUWUNADM-UHFFFAOYSA-N 0 3 451.352 4.706 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Br)c1 ZINC001458091571 1066971948 /nfs/dbraw/zinc/97/19/48/1066971948.db2.gz ANHPPPUINZGMDF-NRFANRHFSA-N 0 3 453.384 4.582 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094653 1066973752 /nfs/dbraw/zinc/97/37/52/1066973752.db2.gz QAUWVIIQJQXWNG-LJQANCHMSA-N 0 3 453.384 4.962 20 0 JJADHN Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC001458125291 1066983164 /nfs/dbraw/zinc/98/31/64/1066983164.db2.gz OUEVUKZNTXNYPC-GOSISDBHSA-N 0 3 459.377 4.963 20 0 JJADHN CCCCc1nc(C)c(CC(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC001458127069 1066983592 /nfs/dbraw/zinc/98/35/92/1066983592.db2.gz ZMKBNMAZRQOREO-NRFANRHFSA-N 0 3 451.640 4.927 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC001449365196 1067004566 /nfs/dbraw/zinc/00/45/66/1067004566.db2.gz FZWKDGPIJGNRRZ-QFIPXVFZSA-N 0 3 459.556 4.932 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740633 1067005977 /nfs/dbraw/zinc/00/59/77/1067005977.db2.gz AZKUDMWSLANADR-DQEYMECFSA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545745610 1067012416 /nfs/dbraw/zinc/01/24/16/1067012416.db2.gz DDYUXIGARRGOJL-NOZRDPDXSA-N 0 3 466.718 4.720 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N3CCCCc4c(Br)cccc43)cc2)CC1 ZINC001458263344 1067015998 /nfs/dbraw/zinc/01/59/98/1067015998.db2.gz ZKAALBFONNEMCK-UHFFFAOYSA-N 0 3 456.428 4.963 20 0 JJADHN O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283237 1067021065 /nfs/dbraw/zinc/02/10/65/1067021065.db2.gz JVBINHKRCJLCQO-BHIYHBOVSA-N 0 3 456.505 4.832 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759371 1067042240 /nfs/dbraw/zinc/04/22/40/1067042240.db2.gz XECBUDFMYWMLAI-JRFVFWCSSA-N 0 3 485.742 4.756 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545759489 1067042701 /nfs/dbraw/zinc/04/27/01/1067042701.db2.gz YQTQHGZGPVWLSL-XMMPIXPASA-N 0 3 463.674 4.583 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114020 1067050490 /nfs/dbraw/zinc/05/04/90/1067050490.db2.gz KCTRZBKLUAEELJ-ISKFKSNPSA-N 0 3 459.675 4.681 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114031 1067050628 /nfs/dbraw/zinc/05/06/28/1067050628.db2.gz KCTRZBKLUAEELJ-UPVQGACJSA-N 0 3 459.675 4.681 20 0 JJADHN CSc1ccc([C@H](CNC(=O)CSc2ccc(Br)cc2C)N(C)C)cc1 ZINC001450129842 1067052071 /nfs/dbraw/zinc/05/20/71/1067052071.db2.gz NWBUSKHIUCZYRJ-SFHVURJKSA-N 0 3 453.471 4.991 20 0 JJADHN CC(=O)Nc1cc(C(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)ccc1C ZINC001450160464 1067056638 /nfs/dbraw/zinc/05/66/38/1067056638.db2.gz ZIPUWEXCFOHNET-SANMLTNESA-N 0 3 456.590 4.655 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001545773992 1067064247 /nfs/dbraw/zinc/06/42/47/1067064247.db2.gz AGCLIDXSDAIZJU-QFIPXVFZSA-N 0 3 483.701 4.606 20 0 JJADHN CCC(O)(CC)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001546022695 1067079976 /nfs/dbraw/zinc/07/99/76/1067079976.db2.gz KWUVTGRJWIHAEX-LJQANCHMSA-N 0 3 476.065 4.687 20 0 JJADHN CCC(CC)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)SC ZINC001545787992 1067083664 /nfs/dbraw/zinc/08/36/64/1067083664.db2.gz DRWMCXPPHZTUQH-NRFANRHFSA-N 0 3 492.133 4.603 20 0 JJADHN Cc1nc(COc2cccc(C(=O)NC[C@@H](c3ccc(OC(C)C)cc3)N(C)C)c2)cs1 ZINC001450548501 1067089620 /nfs/dbraw/zinc/08/96/20/1067089620.db2.gz RWVHOSGCJPTZNA-DEOSSOPVSA-N 0 3 453.608 4.850 20 0 JJADHN CCC(CC)(Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001545792934 1067091240 /nfs/dbraw/zinc/09/12/40/1067091240.db2.gz QZTUFSUQFRRUHN-UHFFFAOYSA-N 0 3 469.674 4.744 20 0 JJADHN CCC(CC)(Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)SC ZINC001545792860 1067091316 /nfs/dbraw/zinc/09/13/16/1067091316.db2.gz OZBFTALSUDPQTJ-UHFFFAOYSA-N 0 3 459.704 4.742 20 0 JJADHN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(CN2CCCCC2)c1 ZINC001450643628 1067098620 /nfs/dbraw/zinc/09/86/20/1067098620.db2.gz NVXUEVGZXDJXMN-UHFFFAOYSA-N 0 3 458.484 4.757 20 0 JJADHN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001546102505 1067099528 /nfs/dbraw/zinc/09/95/28/1067099528.db2.gz ZGDMNXSNIXVGBC-JDFHOKRYSA-N 0 3 475.703 4.566 20 0 JJADHN CN(C)C[C@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(F)cc1 ZINC001450713985 1067109470 /nfs/dbraw/zinc/10/94/70/1067109470.db2.gz YELONIVEPSVMIG-IBGZPJMESA-N 0 3 452.313 4.732 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C)CC1)N1CCOCC1 ZINC001545805335 1067118890 /nfs/dbraw/zinc/11/88/90/1067118890.db2.gz LRKUWEZYZGRBAV-BWKNWUBXSA-N 0 3 469.674 4.717 20 0 JJADHN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450794178 1067121900 /nfs/dbraw/zinc/12/19/00/1067121900.db2.gz FQXUPVSINUIGLI-JOCHJYFZSA-N 0 3 457.615 4.844 20 0 JJADHN C[C@@H]1[C@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 ZINC001450801352 1067123328 /nfs/dbraw/zinc/12/33/28/1067123328.db2.gz SDIBCVDOYWYHJD-XTBZXYEFSA-N 0 3 459.609 4.806 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450803121 1067123364 /nfs/dbraw/zinc/12/33/64/1067123364.db2.gz OLXWHUWAJYAGJE-IERDGZPVSA-N 0 3 452.565 4.783 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)N(C)C)cc1 ZINC001450806670 1067124218 /nfs/dbraw/zinc/12/42/18/1067124218.db2.gz URSKSOCXZHTLDK-FQEVSTJZSA-N 0 3 451.592 4.770 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1)N1CCOCC1 ZINC001545807775 1067128329 /nfs/dbraw/zinc/12/83/29/1067128329.db2.gz ODCSWEUQJYFITB-JOCHJYFZSA-N 0 3 490.490 4.833 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCSC1)N1CCOCC1 ZINC001545808162 1067132236 /nfs/dbraw/zinc/13/22/36/1067132236.db2.gz TZTRLEYOUDLYRL-YADHBBJMSA-N 0 3 478.106 4.677 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)N1CCOCC1 ZINC001545808332 1067133671 /nfs/dbraw/zinc/13/36/71/1067133671.db2.gz WUTLCERXAQEPOO-GCJKJVERSA-N 0 3 478.106 4.677 20 0 JJADHN O=C(c1snc(Cl)c1Cl)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450905343 1067134707 /nfs/dbraw/zinc/13/47/07/1067134707.db2.gz HYRIWVDWACHJBN-UHFFFAOYSA-N 0 3 459.830 4.530 20 0 JJADHN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1 ZINC001545809187 1067135156 /nfs/dbraw/zinc/13/51/56/1067135156.db2.gz XCSYRRRUYFBGDI-UHFFFAOYSA-N 0 3 451.592 4.524 20 0 JJADHN CCN1CCCN(C(=O)c2ccc(C)c(OCc3csc(Br)c3)c2)[C@@H](C)C1 ZINC001450973962 1067137481 /nfs/dbraw/zinc/13/74/81/1067137481.db2.gz GIOPHUJTCVSLEN-INIZCTEOSA-N 0 3 451.430 4.954 20 0 JJADHN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001451254699 1067156213 /nfs/dbraw/zinc/15/62/13/1067156213.db2.gz OGUPICGBQPOFOB-REWPJTCUSA-N 0 3 453.602 4.920 20 0 JJADHN CCCc1occc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451297399 1067157865 /nfs/dbraw/zinc/15/78/65/1067157865.db2.gz BWNRYFZHPHHABU-UHFFFAOYSA-N 0 3 455.599 4.521 20 0 JJADHN CC(C)CC1(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CCC1 ZINC001451296789 1067158049 /nfs/dbraw/zinc/15/80/49/1067158049.db2.gz AJTVHVXFGMZSPL-UHFFFAOYSA-N 0 3 457.659 4.879 20 0 JJADHN CC[C@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451303699 1067158481 /nfs/dbraw/zinc/15/84/81/1067158481.db2.gz NQYIJYRAZJATJB-GOTSBHOMSA-N 0 3 457.659 4.879 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)on1 ZINC001545823386 1067166370 /nfs/dbraw/zinc/16/63/70/1067166370.db2.gz KWBUCECIWZYSGR-IAGOWNOFSA-N 0 3 472.037 4.852 20 0 JJADHN CCC(CC)c1cc(Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)CC2)on1 ZINC001545825055 1067171072 /nfs/dbraw/zinc/17/10/72/1067171072.db2.gz QUYQVVYSNICBPY-UHFFFAOYSA-N 0 3 456.660 4.648 20 0 JJADHN CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001452138259 1067208971 /nfs/dbraw/zinc/20/89/71/1067208971.db2.gz QZAXZIKAGWMQGU-SILAICFJSA-N 0 3 455.643 4.701 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC001458974595 1067214316 /nfs/dbraw/zinc/21/43/16/1067214316.db2.gz PDSKRWJJEZGOMH-QHCPKHFHSA-N 0 3 450.529 4.961 20 0 JJADHN CCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001458973148 1067214386 /nfs/dbraw/zinc/21/43/86/1067214386.db2.gz KNTDTAOREZKRLE-LJQANCHMSA-N 0 3 453.970 4.578 20 0 JJADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001458976041 1067214664 /nfs/dbraw/zinc/21/46/64/1067214664.db2.gz WCNCXBVUSVHKGU-NRFANRHFSA-N 0 3 458.480 4.986 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)COc2ccc(Cl)c(Br)c2)CC1 ZINC001459090094 1067249340 /nfs/dbraw/zinc/24/93/40/1067249340.db2.gz UDZCPAASSBDTRF-UHFFFAOYSA-N 0 3 451.792 4.524 20 0 JJADHN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)Cc1csc(SCCN(C)C)n1 ZINC001452765989 1067249620 /nfs/dbraw/zinc/24/96/20/1067249620.db2.gz LLXRKFLDWHVGGM-KRWDZBQOSA-N 0 3 454.061 4.537 20 0 JJADHN Cc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001452977688 1067270216 /nfs/dbraw/zinc/27/02/16/1067270216.db2.gz WLPYRAVDQMANMB-UHFFFAOYSA-N 0 3 458.393 4.525 20 0 JJADHN CCn1c(SCC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258052 1067278655 /nfs/dbraw/zinc/27/86/55/1067278655.db2.gz WVUUVNFHJDWTDL-IIBYNOLFSA-N 0 3 458.031 4.518 20 0 JJADHN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]2CC1 ZINC001453118601 1067280297 /nfs/dbraw/zinc/28/02/97/1067280297.db2.gz BXLBVHRNJPEWFP-ACWWYGLDSA-N 0 3 457.703 4.600 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)c2C1 ZINC001453162609 1067284974 /nfs/dbraw/zinc/28/49/74/1067284974.db2.gz IDBNBAOCVXNIKP-FQEVSTJZSA-N 0 3 453.558 4.927 20 0 JJADHN CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1CCN(CC)C1 ZINC001453178800 1067287516 /nfs/dbraw/zinc/28/75/16/1067287516.db2.gz PEXUVBZFEYLUMM-HXUWFJFHSA-N 0 3 457.500 4.509 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC[C@H]2Cc2ccc(F)cc2)c2ccccc2)cc1 ZINC001459350427 1067300541 /nfs/dbraw/zinc/30/05/41/1067300541.db2.gz XQGGRMHTCNVDBP-AHWVRZQESA-N 0 3 452.595 4.861 20 0 JJADHN COCc1ccccc1CNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001459392050 1067311265 /nfs/dbraw/zinc/31/12/65/1067311265.db2.gz LBRVZVJNASGKDB-MZLICYQSSA-N 0 3 452.595 4.505 20 0 JJADHN FC(F)(F)c1cc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC001459398359 1067313336 /nfs/dbraw/zinc/31/33/36/1067313336.db2.gz YNXDFGDRHYMWRD-IBGZPJMESA-N 0 3 452.952 4.788 20 0 JJADHN O=C(CCN1CCC(OCCc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC001459495757 1067338496 /nfs/dbraw/zinc/33/84/96/1067338496.db2.gz YCRUUVUALAMXDK-UHFFFAOYSA-N 0 3 456.586 4.970 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCC(=O)Nc1cc(F)ccc1C ZINC001459508425 1067341135 /nfs/dbraw/zinc/34/11/35/1067341135.db2.gz BDNUZTDKUIYKTP-DHIUTWEWSA-N 0 3 455.574 4.974 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001546110563 1067366629 /nfs/dbraw/zinc/36/66/29/1067366629.db2.gz DNZAXDHZIHKFMG-QHCPKHFHSA-N 0 3 450.606 4.722 20 0 JJADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686321 1067383534 /nfs/dbraw/zinc/38/35/34/1067383534.db2.gz NJXPOHIPFDFFQH-YADHBBJMSA-N 0 3 456.583 4.734 20 0 JJADHN COc1ccc([C@@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723921 1067396332 /nfs/dbraw/zinc/39/63/32/1067396332.db2.gz WTEYAAIPWHPRNP-PKTZIBPZSA-N 0 3 456.558 4.682 20 0 JJADHN COc1ccc(NC(=O)CN(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC001459831392 1067444378 /nfs/dbraw/zinc/44/43/78/1067444378.db2.gz CRRDNYPFJXCVGQ-PGRDOPGGSA-N 0 3 456.583 4.740 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccc2ccccc2c1 ZINC001459847123 1067452470 /nfs/dbraw/zinc/45/24/70/1067452470.db2.gz CIWQWKDTUZOAPA-JWQCQUIFSA-N 0 3 450.579 4.573 20 0 JJADHN C[C@@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850122 1067455041 /nfs/dbraw/zinc/45/50/41/1067455041.db2.gz ZTPNSZYRONBTRT-IERDGZPVSA-N 0 3 451.945 4.545 20 0 JJADHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001459853115 1067457764 /nfs/dbraw/zinc/45/77/64/1067457764.db2.gz YBXLCINUJYTKGY-HSZRJFAPSA-N 0 3 457.958 4.671 20 0 JJADHN COc1ccc([C@@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001459864675 1067463110 /nfs/dbraw/zinc/46/31/10/1067463110.db2.gz BXFFHWMAOONFIB-HXUWFJFHSA-N 0 3 458.436 4.668 20 0 JJADHN CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459866917 1067464061 /nfs/dbraw/zinc/46/40/61/1067464061.db2.gz TZPABESAXUWSKD-AREMUKBSSA-N 0 3 459.546 4.636 20 0 JJADHN O=C(Nc1c[nH]nc1[C@@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC001459938946 1067499640 /nfs/dbraw/zinc/49/96/40/1067499640.db2.gz WOZYEANPRJOWJP-QGZVFWFLSA-N 0 3 450.505 4.816 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943094 1067501131 /nfs/dbraw/zinc/50/11/31/1067501131.db2.gz BPAOZOBRRIUZCS-QFIPXVFZSA-N 0 3 456.034 4.679 20 0 JJADHN CCCN(C)[C@H](CNC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)c1ccc(Cl)cc1 ZINC001459943083 1067501181 /nfs/dbraw/zinc/50/11/81/1067501181.db2.gz BPAOZOBRRIUZCS-JOCHJYFZSA-N 0 3 456.034 4.679 20 0 JJADHN CCCN(C)[C@H](CNC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001459944946 1067502010 /nfs/dbraw/zinc/50/20/10/1067502010.db2.gz YGTKUBMAPVWTGB-AKIFATBCSA-N 0 3 458.002 4.544 20 0 JJADHN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC001459945706 1067502348 /nfs/dbraw/zinc/50/23/48/1067502348.db2.gz SSQRRCRVSSIWHD-MHZLTWQESA-N 0 3 454.574 4.891 20 0 JJADHN CC(C)N1C(=O)C[C@H](NC[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001459947644 1067502666 /nfs/dbraw/zinc/50/26/66/1067502666.db2.gz BDILCLLUZKMKIM-QKNQBKEWSA-N 0 3 458.883 4.872 20 0 JJADHN CCCCn1c(CNC(C)(C)C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC001460015118 1067528182 /nfs/dbraw/zinc/52/81/82/1067528182.db2.gz CVOOYANLCNGHSL-UHFFFAOYSA-N 0 3 451.615 4.596 20 0 JJADHN OC[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020048 1067530506 /nfs/dbraw/zinc/53/05/06/1067530506.db2.gz WBKUDDMQRMCTDR-HOTGVXAUSA-N 0 3 456.661 4.617 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039516 1067536390 /nfs/dbraw/zinc/53/63/90/1067536390.db2.gz LKZBYZCQXZOWOY-CIQXWFTPSA-N 0 3 455.624 4.591 20 0 JJADHN CCCC[C@](C)(NCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 ZINC001460048751 1067539307 /nfs/dbraw/zinc/53/93/07/1067539307.db2.gz DWDJSWAXTXEKJG-NRFANRHFSA-N 0 3 453.446 4.895 20 0 JJADHN CC(C)n1cc(C2=CCCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)nn1 ZINC001460147324 1067564951 /nfs/dbraw/zinc/56/49/51/1067564951.db2.gz DLMWFSZNZBGKQA-UHFFFAOYSA-N 0 3 453.388 4.758 20 0 JJADHN CC(C)(CO)[C@@H](NC[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1cccnc1 ZINC001460159365 1067567100 /nfs/dbraw/zinc/56/71/00/1067567100.db2.gz DJMGWHXYWCPCQW-GOTSBHOMSA-N 0 3 455.396 4.894 20 0 JJADHN COC(=O)c1cccc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl ZINC001460160663 1067567573 /nfs/dbraw/zinc/56/75/73/1067567573.db2.gz HSTICBCBQZOXAJ-REWPJTCUSA-N 0 3 455.913 4.807 20 0 JJADHN Cc1cc(C)c(-c2csc(NC(=O)CN[C@@H]3CCN(C)[C@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191798 1067575552 /nfs/dbraw/zinc/57/55/52/1067575552.db2.gz HCINIALVFCNWCH-QPPBQGQZSA-N 0 3 452.599 4.848 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)cc1 ZINC001460213169 1067580680 /nfs/dbraw/zinc/58/06/80/1067580680.db2.gz NBFMATRJHVENMQ-HHHXNRCGSA-N 0 3 457.574 4.546 20 0 JJADHN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001460225111 1067583818 /nfs/dbraw/zinc/58/38/18/1067583818.db2.gz DRSQTSKLIAOMBR-MDASCCDHSA-N 0 3 460.537 4.629 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238956 1067588120 /nfs/dbraw/zinc/58/81/20/1067588120.db2.gz JNSLCIYSSVKORY-OFNKIYASSA-N 0 3 459.562 4.765 20 0 JJADHN CSc1ccccc1OC[C@@H](O)CN(Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239913 1067588813 /nfs/dbraw/zinc/58/88/13/1067588813.db2.gz HQBMOVGSNUDFEB-QHCPKHFHSA-N 0 3 456.652 4.685 20 0 JJADHN C[C@H](N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325011 1067608584 /nfs/dbraw/zinc/60/85/84/1067608584.db2.gz FOLIYTIPTJAPHK-CDNPAEQRSA-N 0 3 451.611 4.886 20 0 JJADHN CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338353 1067611483 /nfs/dbraw/zinc/61/14/83/1067611483.db2.gz MGJAYJKLFPHYRH-QRWLVFNGSA-N 0 3 451.430 4.926 20 0 JJADHN CCCCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@H]1CCc2ncsc2C1 ZINC001460339845 1067611548 /nfs/dbraw/zinc/61/15/48/1067611548.db2.gz QLRIERPELRGFDW-NRFANRHFSA-N 0 3 451.640 4.852 20 0 JJADHN CCC1(CC)CN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCS1 ZINC001546116453 1067639623 /nfs/dbraw/zinc/63/96/23/1067639623.db2.gz VODVVSZVUKRHCN-QHCPKHFHSA-N 0 3 480.682 4.764 20 0 JJADHN COc1ccc(N=c2scc(CN3CC[C@H](C)[C@@H](CO)C3)n2[C@@H](C)c2ccccc2)cc1 ZINC001460501891 1067645790 /nfs/dbraw/zinc/64/57/90/1067645790.db2.gz FCOXTJAQTFUPRP-JAXLGGSGSA-N 0 3 451.636 4.850 20 0 JJADHN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CNC1([C@H]2CCCCO2)CCC1 ZINC001460673375 1067696031 /nfs/dbraw/zinc/69/60/31/1067696031.db2.gz DFPWAAWGYGSIMJ-LJQANCHMSA-N 0 3 456.608 4.920 20 0 JJADHN C[C@@H](CSc1ccccc1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708436 1067705746 /nfs/dbraw/zinc/70/57/46/1067705746.db2.gz MCMPXDRCIWYUOX-FQEVSTJZSA-N 0 3 458.071 4.881 20 0 JJADHN Cc1cccc(CSCC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001460709878 1067706306 /nfs/dbraw/zinc/70/63/06/1067706306.db2.gz PZERWFQOMPBHIU-UHFFFAOYSA-N 0 3 458.071 4.695 20 0 JJADHN COc1cccc([C@H]2CCN(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721421 1067709464 /nfs/dbraw/zinc/70/94/64/1067709464.db2.gz VEFGVOHSCUAEKN-LJQANCHMSA-N 0 3 453.539 4.539 20 0 JJADHN COC(=O)CNC(=O)CCN(C)Cc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001460751908 1067716506 /nfs/dbraw/zinc/71/65/06/1067716506.db2.gz WEBDMNWUOGYGQW-UHFFFAOYSA-N 0 3 459.757 4.550 20 0 JJADHN O=[S@@](CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC001460782756 1067722463 /nfs/dbraw/zinc/72/24/63/1067722463.db2.gz YWYRXTHZPXICCN-LUCMSJLKSA-N 0 3 465.368 4.754 20 0 JJADHN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)CCS1 ZINC001546119750 1067739156 /nfs/dbraw/zinc/73/91/56/1067739156.db2.gz OTHJJKHGBMWXPC-HXUWFJFHSA-N 0 3 487.743 4.616 20 0 JJADHN CCC1(CC)CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccs2)N(C)C)CCS1 ZINC001546119749 1067739206 /nfs/dbraw/zinc/73/92/06/1067739206.db2.gz OTHJJKHGBMWXPC-FQEVSTJZSA-N 0 3 487.743 4.616 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@H]21 ZINC001460983866 1067757310 /nfs/dbraw/zinc/75/73/10/1067757310.db2.gz WEQPOSQZBMXGGP-QRQLOZEOSA-N 0 3 455.521 4.658 20 0 JJADHN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNC[C@H](c1ccccc1)N1CCOCC1 ZINC001461019081 1067763020 /nfs/dbraw/zinc/76/30/20/1067763020.db2.gz MNVGZWLBUIGEPS-HSZRJFAPSA-N 0 3 453.030 4.986 20 0 JJADHN CN1CCN(c2ccc(CNCc3ccc(-c4ccccc4Br)cc3)cn2)CC1 ZINC001461020682 1067763419 /nfs/dbraw/zinc/76/34/19/1067763419.db2.gz IQNODQWSNWNINS-UHFFFAOYSA-N 0 3 451.412 4.553 20 0 JJADHN C[C@@H]1CN([C@@H](CNCc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053130 1067770658 /nfs/dbraw/zinc/77/06/58/1067770658.db2.gz ZZLPVJWPJTYUTJ-YJYMSZOUSA-N 0 3 459.762 4.932 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)c1 ZINC001461067416 1067775063 /nfs/dbraw/zinc/77/50/63/1067775063.db2.gz GIAPQPFOVDSUDK-UHFFFAOYSA-N 0 3 458.606 4.959 20 0 JJADHN Cc1cc(N2CCN(C)CC2)ccc1NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001461085655 1067778734 /nfs/dbraw/zinc/77/87/34/1067778734.db2.gz NTHPUSMPOBDFMJ-UHFFFAOYSA-N 0 3 450.627 4.652 20 0 JJADHN O=C1CCCN1Cc1ccc(CNCc2ccc(Br)c(Br)c2)cc1 ZINC001461086333 1067778842 /nfs/dbraw/zinc/77/88/42/1067778842.db2.gz MDWTYZVHTFNGED-UHFFFAOYSA-N 0 3 452.190 4.624 20 0 JJADHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(Br)c3)cc2)C[C@@H](C)O1 ZINC001461092717 1067780540 /nfs/dbraw/zinc/78/05/40/1067780540.db2.gz LBLVHJOYMIFBQD-HUUCEWRRSA-N 0 3 451.792 4.642 20 0 JJADHN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(Br)c(Cl)c3)cc2)C[C@H](C)O1 ZINC001461093410 1067780561 /nfs/dbraw/zinc/78/05/61/1067780561.db2.gz RLURKVMCIOVMLI-GASCZTMLSA-N 0 3 451.792 4.642 20 0 JJADHN C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(Cl)cc(Br)c3)cc2)C[C@H](C)O1 ZINC001461092713 1067780648 /nfs/dbraw/zinc/78/06/48/1067780648.db2.gz LBLVHJOYMIFBQD-GASCZTMLSA-N 0 3 451.792 4.642 20 0 JJADHN Fc1cccc(C[C@@H](NCc2ccc(OCCN3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119929 1067785339 /nfs/dbraw/zinc/78/53/39/1067785339.db2.gz ITEKMQGLDWILDV-HHHXNRCGSA-N 0 3 452.545 4.749 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148664 1067789633 /nfs/dbraw/zinc/78/96/33/1067789633.db2.gz WYQQKQAEYRYBIN-ISKFKSNPSA-N 0 3 450.579 4.814 20 0 JJADHN CCN(Cc1ccccc1)C(=O)CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461161061 1067791413 /nfs/dbraw/zinc/79/14/13/1067791413.db2.gz HZTLXIWXHLOEKS-HNNXBMFYSA-N 0 3 455.908 4.714 20 0 JJADHN COc1ccc(S(=O)(=O)[N-]c2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)cc1 ZINC001461209036 1067799885 /nfs/dbraw/zinc/79/98/85/1067799885.db2.gz PGDFXCATZAGUNW-UNMCSNQZSA-N 0 3 451.592 4.707 20 0 JJADHN O=C(CCNCc1ccccc1Oc1ccc(Br)cc1F)NCc1cccnc1 ZINC001461225601 1067803837 /nfs/dbraw/zinc/80/38/37/1067803837.db2.gz SDQRSCIOXLGSIA-UHFFFAOYSA-N 0 3 458.331 4.572 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461239578 1067807523 /nfs/dbraw/zinc/80/75/23/1067807523.db2.gz REYVNTCNJGJYDW-RNODOKPDSA-N 0 3 452.755 4.947 20 0 JJADHN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCN1C(=O)COc2ccccc21 ZINC001461265616 1067813946 /nfs/dbraw/zinc/81/39/46/1067813946.db2.gz QEJKSFZSKMIRFM-UHFFFAOYSA-N 0 3 452.986 4.729 20 0 JJADHN C[C@@]1(NC(=O)c2ccc(OC(F)(F)F)cc2Br)CCN(Cc2ccccc2)C1 ZINC001461270963 1067815184 /nfs/dbraw/zinc/81/51/84/1067815184.db2.gz GPHBHEJGUIRFTG-LJQANCHMSA-N 0 3 457.290 4.742 20 0 JJADHN COc1ccc(OC(F)F)c(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001461307726 1067824492 /nfs/dbraw/zinc/82/44/92/1067824492.db2.gz LTOXALKSPINLEN-CYBMUJFWSA-N 0 3 451.823 4.732 20 0 JJADHN CC(=O)N(c1nc(CNC2CCN([C@H](C)c3ccncc3)CC2)cs1)c1ccc(F)cc1 ZINC001461372724 1067840605 /nfs/dbraw/zinc/84/06/05/1067840605.db2.gz LMBYOYYSQLBUSP-QGZVFWFLSA-N 0 3 453.587 4.677 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461457705 1067861375 /nfs/dbraw/zinc/86/13/75/1067861375.db2.gz ZXBBHAZMMNXGCG-XMMPIXPASA-N 0 3 451.014 4.525 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@@H](CNCc2ccc(C3CCCC3)cc2)C(F)(F)F)CC1 ZINC001461467885 1067864518 /nfs/dbraw/zinc/86/45/18/1067864518.db2.gz XEEZSYGJTPDTJI-NRFANRHFSA-N 0 3 455.565 4.917 20 0 JJADHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC001461512183 1067879455 /nfs/dbraw/zinc/87/94/55/1067879455.db2.gz FGSPSTGVFYXHPQ-SFHVURJKSA-N 0 3 455.649 4.529 20 0 JJADHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Br)c(Br)c2)[C@@H]1n1cccn1 ZINC001461513710 1067879990 /nfs/dbraw/zinc/87/99/90/1067879990.db2.gz JVLJVBHPSIWQIK-ZACQAIPSSA-N 0 3 457.210 4.695 20 0 JJADHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NCc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529028 1067881862 /nfs/dbraw/zinc/88/18/62/1067881862.db2.gz DLFCVSWRZBZRMM-JPYJTQIMSA-N 0 3 455.574 4.692 20 0 JJADHN C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2ccnc3c(Br)cccc23)C1=O ZINC001461533142 1067883336 /nfs/dbraw/zinc/88/33/36/1067883336.db2.gz ODDIRJVHLPCFFV-BTYIYWSLSA-N 0 3 456.359 4.978 20 0 JJADHN Cc1cc(C2OCCO2)c(C)cc1CNCc1cc(Cl)cc(I)c1 ZINC001461591498 1067896017 /nfs/dbraw/zinc/89/60/17/1067896017.db2.gz PQLDCOYTKHFDCU-UHFFFAOYSA-N 0 3 457.739 4.897 20 0 JJADHN CC(C)C[C@H](NCc1ccc(-c2ccc(Br)cc2)s1)C(=O)N1CCOCC1 ZINC001461595830 1067897079 /nfs/dbraw/zinc/89/70/79/1067897079.db2.gz SAOBANRTLPSYCM-IBGZPJMESA-N 0 3 451.430 4.541 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(F)c(F)c(F)c2)cc1 ZINC001461624006 1067903785 /nfs/dbraw/zinc/90/37/85/1067903785.db2.gz DXGOBGWJHCRZSJ-RXVVDRJESA-N 0 3 450.501 4.995 20 0 JJADHN CCCOc1ccc(Br)cc1CNC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648727 1067909352 /nfs/dbraw/zinc/90/93/52/1067909352.db2.gz VTECNKCIBLLZLD-HXUWFJFHSA-N 0 3 453.808 4.886 20 0 JJADHN COCO[C@H](C)c1cc(F)c(CNC[C@@]2(C)COc3ccccc3O2)cc1Br ZINC001461663189 1067912813 /nfs/dbraw/zinc/91/28/13/1067912813.db2.gz WJUIUBLVPBYHBB-SZNDQCEHSA-N 0 3 454.336 4.589 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001461697423 1067920491 /nfs/dbraw/zinc/92/04/91/1067920491.db2.gz KGHLEDCVQFNWMS-RUZDIDTESA-N 0 3 453.030 4.501 20 0 JJADHN CC(C)(C)NS(=O)(=O)C1(CNCc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001461720799 1067925255 /nfs/dbraw/zinc/92/52/55/1067925255.db2.gz LJEALPDPFYEVHW-UHFFFAOYSA-N 0 3 457.459 4.518 20 0 JJADHN FC(F)(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(I)s1 ZINC001461758703 1067931850 /nfs/dbraw/zinc/93/18/50/1067931850.db2.gz ZNKIVQGMJWAUHS-HUUCEWRRSA-N 0 3 466.310 4.505 20 0 JJADHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(-c2ccccc2Br)s1 ZINC001461784111 1067936887 /nfs/dbraw/zinc/93/68/87/1067936887.db2.gz MPCFDSFWNBDPOK-QZTJIDSGSA-N 0 3 467.429 4.902 20 0 JJADHN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC001461841866 1067945328 /nfs/dbraw/zinc/94/53/28/1067945328.db2.gz FTCCLDZRLZCUQT-UHFFFAOYSA-N 0 3 457.397 4.818 20 0 JJADHN COCCN(Cc1cc(I)c(Br)cc1F)C1CCCC1 ZINC001461846943 1067945846 /nfs/dbraw/zinc/94/58/46/1067945846.db2.gz QDHHQMPKDJJBDC-UHFFFAOYSA-N 0 3 456.137 4.584 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC001461898391 1067957057 /nfs/dbraw/zinc/95/70/57/1067957057.db2.gz MFSWBCLMYZTPFJ-DEOSSOPVSA-N 0 3 450.023 4.525 20 0 JJADHN CCCCN(C)C(=O)C1CCN(Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC001461946373 1067966449 /nfs/dbraw/zinc/96/64/49/1067966449.db2.gz SZKVZSUAJAPVJT-UHFFFAOYSA-N 0 3 452.595 4.523 20 0 JJADHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCC(Cc4ccc(F)cc4)CC3)o2)CC1 ZINC001461979215 1067974059 /nfs/dbraw/zinc/97/40/59/1067974059.db2.gz QBIZLHHHIOULSB-UHFFFAOYSA-N 0 3 457.590 4.931 20 0 JJADHN Cc1cc(Br)cn2cc(CNC[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc12 ZINC001462066194 1067995105 /nfs/dbraw/zinc/99/51/05/1067995105.db2.gz SHBCJOJXMFWCJG-HOTGVXAUSA-N 0 3 451.409 4.530 20 0 JJADHN COc1c(Br)cccc1CNCCC(=O)Nc1ccc(Br)cc1C ZINC001462077197 1067997430 /nfs/dbraw/zinc/99/74/30/1067997430.db2.gz YNMUETFWLMQJQE-UHFFFAOYSA-N 0 3 456.178 4.647 20 0 JJADHN COC(=O)[C@@](C)(CNCc1cc(Br)c(C)cc1Br)c1ccccc1 ZINC001462097958 1068001606 /nfs/dbraw/zinc/00/16/06/1068001606.db2.gz YVNOIELLLKNKPB-IBGZPJMESA-N 0 3 455.190 4.741 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2c(Cl)n(C)nc2C(C)C)cc1 ZINC001462103994 1068003176 /nfs/dbraw/zinc/00/31/76/1068003176.db2.gz CTBIWBWRRZHGRX-FCHUYYIVSA-N 0 3 467.013 4.604 20 0 JJADHN CCCOc1nc(C)ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001462106006 1068004329 /nfs/dbraw/zinc/00/43/29/1068004329.db2.gz HYGXEHHWSITYDY-IZZNHLLZSA-N 0 3 459.590 4.585 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC001462108310 1068005345 /nfs/dbraw/zinc/00/53/45/1068005345.db2.gz MZMYMQOLGOHTHS-PZJWPPBQSA-N 0 3 456.373 4.795 20 0 JJADHN Cn1cc([C@@H](N[C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119330 1068008395 /nfs/dbraw/zinc/00/83/95/1068008395.db2.gz SBWDYPRTSPTSNP-ZRBLBEILSA-N 0 3 457.391 4.836 20 0 JJADHN CCN1CCN(c2cccc(N[C@H]3CCN(C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122792 1068010321 /nfs/dbraw/zinc/01/03/21/1068010321.db2.gz AQVDTXFWFHHJON-LADGPHEKSA-N 0 3 457.460 4.838 20 0 JJADHN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001462166018 1068020193 /nfs/dbraw/zinc/02/01/93/1068020193.db2.gz YWOBWDLNILHOOK-KRWDZBQOSA-N 0 3 456.384 4.784 20 0 JJADHN O[C@@H](c1ccc(Br)cc1)[C@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293090 1068045331 /nfs/dbraw/zinc/04/53/31/1068045331.db2.gz HODBWIKSXYUPTB-REWPJTCUSA-N 0 3 458.375 4.779 20 0 JJADHN Cc1cc(Cl)ccc1N(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCO[C@H]1C ZINC001462297496 1068046542 /nfs/dbraw/zinc/04/65/42/1068046542.db2.gz OROQWAJVMUIWAH-OFVILXPXSA-N 0 3 456.030 4.761 20 0 JJADHN Cc1cc(Cl)ccc1N(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@@H]1C ZINC001462297505 1068046659 /nfs/dbraw/zinc/04/66/59/1068046659.db2.gz OROQWAJVMUIWAH-PXDATVDWSA-N 0 3 456.030 4.761 20 0 JJADHN CC(C)[C@@H](CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)ONC(=O)OC(C)(C)C ZINC001462362304 1068059969 /nfs/dbraw/zinc/05/99/69/1068059969.db2.gz YDLQRAVQECQORI-LJQANCHMSA-N 0 3 456.509 4.521 20 0 JJADHN COCCN(Cc1cnc(-c2ccco2)s1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001462398683 1068065542 /nfs/dbraw/zinc/06/55/42/1068065542.db2.gz YWBLZDSUDUFZIS-UHFFFAOYSA-N 0 3 455.580 4.653 20 0 JJADHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400342 1068066246 /nfs/dbraw/zinc/06/62/46/1068066246.db2.gz XTLPIYRMDYNXDU-XMSQKQJNSA-N 0 3 459.631 4.857 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410556 1068068231 /nfs/dbraw/zinc/06/82/31/1068068231.db2.gz ZVTFQUVYSPDMRK-SQGPQFPESA-N 0 3 458.521 4.711 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@]3(C)Cc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001462494548 1068084993 /nfs/dbraw/zinc/08/49/93/1068084993.db2.gz JFSHJVMACYCWTR-SANMLTNESA-N 0 3 459.556 4.872 20 0 JJADHN COc1cc(Cl)c(CNC[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cc1Cl ZINC001462556218 1068097456 /nfs/dbraw/zinc/09/74/56/1068097456.db2.gz DZOKNYJOQNIUNA-INIZCTEOSA-N 0 3 459.414 4.898 20 0 JJADHN COC(=O)c1ccc(COc2ccc(CN3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)cc2OC)o1 ZINC001462587827 1068105263 /nfs/dbraw/zinc/10/52/63/1068105263.db2.gz OFFFXHDWRPWMIF-AOMKIAJQSA-N 0 3 453.457 4.818 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC4(CCNC(=O)O4)CC3)n2)cc1 ZINC001462629156 1068116948 /nfs/dbraw/zinc/11/69/48/1068116948.db2.gz BFJANSYGZXMKIY-UHFFFAOYSA-N 0 3 452.555 4.560 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001462656430 1068125867 /nfs/dbraw/zinc/12/58/67/1068125867.db2.gz XEUBAPGWEUQJQE-MBSDFSHPSA-N 0 3 475.431 4.822 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)cc1C(F)(F)F ZINC001462730240 1068146362 /nfs/dbraw/zinc/14/63/62/1068146362.db2.gz QOHHIVRWWFNCBY-UHFFFAOYSA-N 0 3 458.271 4.907 20 0 JJADHN COc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2)cc1 ZINC001462756495 1068156988 /nfs/dbraw/zinc/15/69/88/1068156988.db2.gz MRGPCVZOXUVNJP-UHFFFAOYSA-N 0 3 452.576 4.562 20 0 JJADHN Cc1cc(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)ccc1F ZINC001462771309 1068163071 /nfs/dbraw/zinc/16/30/71/1068163071.db2.gz PELZTZAJPXUHMR-UKILVPOCSA-N 0 3 473.013 4.875 20 0 JJADHN CN(Cc1ccsc1)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462788915 1068168004 /nfs/dbraw/zinc/16/80/04/1068168004.db2.gz NLVSWRRSGBPKIP-XZOQPEGZSA-N 0 3 461.052 4.831 20 0 JJADHN C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003828 1068246202 /nfs/dbraw/zinc/24/62/02/1068246202.db2.gz VRSVOLLEQRQZCG-OYHNWAKOSA-N 0 3 452.904 4.907 20 0 JJADHN COc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC001463017394 1068253230 /nfs/dbraw/zinc/25/32/30/1068253230.db2.gz MBKVJSWDMKMTDS-IBGZPJMESA-N 0 3 454.592 4.895 20 0 JJADHN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001463226007 1068327100 /nfs/dbraw/zinc/32/71/00/1068327100.db2.gz QIARGQFRBWYLDD-NRFANRHFSA-N 0 3 456.505 4.521 20 0 JJADHN CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CCN(Cc2ccccc2)CC1 ZINC001463369467 1068374605 /nfs/dbraw/zinc/37/46/05/1068374605.db2.gz ZNOSRRNTKLMKAO-OAQYLSRUSA-N 0 3 454.014 4.596 20 0 JJADHN CCc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2Br)N(C)C)cc1 ZINC001463760383 1068515462 /nfs/dbraw/zinc/51/54/62/1068515462.db2.gz HBJIRHMSSDBBLP-NRFANRHFSA-N 0 3 455.396 4.963 20 0 JJADHN CCc1ccc([C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)N(C)C)cc1 ZINC001463768020 1068518314 /nfs/dbraw/zinc/51/83/14/1068518314.db2.gz ZNINHUZGNNFKBB-IBGZPJMESA-N 0 3 453.808 4.853 20 0 JJADHN CN(C)[C@@H](CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770385 1068519277 /nfs/dbraw/zinc/51/92/77/1068519277.db2.gz MMDJDWKUZKSSSL-PKTZIBPZSA-N 0 3 453.627 4.568 20 0 JJADHN O=C([C@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC001463825471 1068536982 /nfs/dbraw/zinc/53/69/82/1068536982.db2.gz GYHRSHMPRUSLOM-MUUNZHRXSA-N 0 3 459.609 4.761 20 0 JJADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463832921 1068540503 /nfs/dbraw/zinc/54/05/03/1068540503.db2.gz DTSVXMZLPKCBLN-RPBOFIJWSA-N 0 3 450.689 4.534 20 0 JJADHN CCN(CC)[C@H](CNC(=O)Cc1ccc(Br)cc1Cl)c1cccc(OC)c1 ZINC001463916240 1068564820 /nfs/dbraw/zinc/56/48/20/1068564820.db2.gz MHOZFMCPZFNSBM-HXUWFJFHSA-N 0 3 453.808 4.853 20 0 JJADHN CN(C)CCn1c2cc(C(=O)N[C@@H](CCCc3ccccc3)c3ccccc3)ccc2[nH]c1=O ZINC001463915768 1068564886 /nfs/dbraw/zinc/56/48/86/1068564886.db2.gz DWTZBGBHEMTRDB-DEOSSOPVSA-N 0 3 456.590 4.798 20 0 JJADHN CN(C)CCSc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cs1 ZINC001463915983 1068564997 /nfs/dbraw/zinc/56/49/97/1068564997.db2.gz PRJGRABHJLWHFI-UHFFFAOYSA-N 0 3 458.575 4.597 20 0 JJADHN CCc1c(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)cnn1-c1cccc(Cl)c1 ZINC001463920176 1068566177 /nfs/dbraw/zinc/56/61/77/1068566177.db2.gz VZVCVSRSRHQDBY-DEOSSOPVSA-N 0 3 455.002 4.910 20 0 JJADHN Cn1c(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2ccccc21 ZINC001464118047 1068621160 /nfs/dbraw/zinc/62/11/60/1068621160.db2.gz BZLSRTWBCRDTDK-UHFFFAOYSA-N 0 3 458.528 4.529 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)c(C)cc3Br)cc2)CC1 ZINC001464123078 1068623093 /nfs/dbraw/zinc/62/30/93/1068623093.db2.gz BPMJHOZSLWABKU-UHFFFAOYSA-N 0 3 450.808 4.801 20 0 JJADHN Cc1ccc2cc(C(=O)NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c2c1 ZINC001464123998 1068623179 /nfs/dbraw/zinc/62/31/79/1068623179.db2.gz UXGQXLHPXFCUFC-UHFFFAOYSA-N 0 3 458.528 4.827 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)C(C)(C)Cc3ccc(Br)cc3)cc2)CC1 ZINC001464128000 1068625425 /nfs/dbraw/zinc/62/54/25/1068625425.db2.gz ZZTWTDKDJBCWPK-UHFFFAOYSA-N 0 3 458.444 4.794 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3cc(C)n([C@H](C)c4ccccc4)c3C)cc2)CC1 ZINC001464157470 1068636463 /nfs/dbraw/zinc/63/64/63/1068636463.db2.gz HAHVMXPLGQSYGW-HSZRJFAPSA-N 0 3 458.650 4.782 20 0 JJADHN Cc1ccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)s1 ZINC001464249358 1068675404 /nfs/dbraw/zinc/67/54/04/1068675404.db2.gz PDBJTAHCLGOEJZ-UHFFFAOYSA-N 0 3 457.640 4.622 20 0 JJADHN CC(C)(C)CCN1CCN(C(=O)Cc2csc(-c3sccc3Br)n2)CC1 ZINC001464372572 1068721842 /nfs/dbraw/zinc/72/18/42/1068721842.db2.gz FPLTUTSVYZRSSW-UHFFFAOYSA-N 0 3 456.475 4.757 20 0 JJADHN CC(C)(C)CCN1CCN(C(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC001464380305 1068725212 /nfs/dbraw/zinc/72/52/12/1068725212.db2.gz VQMHYXMGJDPXFO-UHFFFAOYSA-N 0 3 453.414 4.947 20 0 JJADHN CCN(CC)[C@H](CNC(=O)C12CCC(C(=O)OC)(CC1)CC2)c1ccc(C(F)(F)F)cc1 ZINC001464492162 1068765278 /nfs/dbraw/zinc/76/52/78/1068765278.db2.gz IORZYCHABUJLJA-YUVSOPLDSA-N 0 3 454.533 4.718 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2[nH]nc(-c3ccccc3)c2Br)N2CCCC2)cc1 ZINC001464583693 1068791558 /nfs/dbraw/zinc/79/15/58/1068791558.db2.gz JVMBMIFBEQSYPL-LJQANCHMSA-N 0 3 453.384 4.715 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)N2CCCC2)cc1 ZINC001464598792 1068794802 /nfs/dbraw/zinc/79/48/02/1068794802.db2.gz UFIMEQHIEUKGGE-XLIONFOSSA-N 0 3 458.628 4.604 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2c([nH]1)c(Cl)ccc2Br ZINC001464636047 1068806443 /nfs/dbraw/zinc/80/64/43/1068806443.db2.gz JIGVLLDGKAPDSJ-UHFFFAOYSA-N 0 3 452.755 4.927 20 0 JJADHN COc1ccc2cc(C(=O)N(CCN(C)C)Cc3ccc(Br)cc3)c(C)nc2c1 ZINC001464637530 1068807108 /nfs/dbraw/zinc/80/71/08/1068807108.db2.gz QCBPEHMKUUZDFR-UHFFFAOYSA-N 0 3 456.384 4.518 20 0 JJADHN Cc1ccc(Br)c2[nH]c(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)cc21 ZINC001464645734 1068809765 /nfs/dbraw/zinc/80/97/65/1068809765.db2.gz YHZCLKDZOAPFKT-UHFFFAOYSA-N 0 3 450.327 4.721 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1Cl ZINC001464683097 1068823826 /nfs/dbraw/zinc/82/38/26/1068823826.db2.gz AKLUQSKTZIIZHA-UKILVPOCSA-N 0 3 455.023 4.985 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627376 719095028 /nfs/dbraw/zinc/09/50/28/719095028.db2.gz JYMFQSFXLLOTDE-VQTJNVASSA-N 0 3 455.940 4.838 20 0 JJADHN Cc1nc2c(cc(-c3nc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730996 720385121 /nfs/dbraw/zinc/38/51/21/720385121.db2.gz XSHDXGOUZCBFCT-GOTSBHOMSA-N 0 3 489.574 4.909 20 0 JJADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730891 720408819 /nfs/dbraw/zinc/40/88/19/720408819.db2.gz JNSBFXXWLAAXPI-FCHUYYIVSA-N 0 3 480.971 4.966 20 0 JJADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735096 720464744 /nfs/dbraw/zinc/46/47/44/720464744.db2.gz VYEUMVXRBBRGKS-XZOQPEGZSA-N 0 3 470.646 4.668 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843943 720740070 /nfs/dbraw/zinc/74/00/70/720740070.db2.gz MUQQXXGREKMHNQ-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN Clc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1Cl ZINC001164741738 720783080 /nfs/dbraw/zinc/78/30/80/720783080.db2.gz MWPVRWITQKHGKF-QZTJIDSGSA-N 0 3 493.398 4.736 20 0 JJADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857155 721002773 /nfs/dbraw/zinc/00/27/73/721002773.db2.gz CNCAYEOCAGGRBL-OAQYLSRUSA-N 0 3 457.626 4.714 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164767425 721101861 /nfs/dbraw/zinc/10/18/61/721101861.db2.gz LSCFQPVYOZCCCR-RBUKOAKNSA-N 0 3 476.987 4.781 20 0 JJADHN Clc1ccc(-c2cc3ncnc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878427 721143193 /nfs/dbraw/zinc/14/31/93/721143193.db2.gz QCLLJDPUEDWNMH-LEWJYISDSA-N 0 3 478.021 4.886 20 0 JJADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870320 721166476 /nfs/dbraw/zinc/16/64/76/721166476.db2.gz CNFHURPKLZXYDP-GOTSBHOMSA-N 0 3 476.024 4.551 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767654 721171553 /nfs/dbraw/zinc/17/15/53/721171553.db2.gz KHMGGSPMTIGESS-RBUKOAKNSA-N 0 3 465.026 4.704 20 0 JJADHN Cc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769456 721223416 /nfs/dbraw/zinc/22/34/16/721223416.db2.gz MNOZWMXFDNPGPP-KAYWLYCHSA-N 0 3 464.617 4.811 20 0 JJADHN COc1ccc2c(c1)nc(N1CC[C@]3(C1)CCC[C@@H](CN1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898352 721434748 /nfs/dbraw/zinc/43/47/48/721434748.db2.gz VTJKIZXKHANZFB-QCDSWUKFSA-N 0 3 486.660 4.676 20 0 JJADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CCN3C2)c1 ZINC001164911934 721547776 /nfs/dbraw/zinc/54/77/76/721547776.db2.gz XORSCQCUODHQEA-AOYPEHQESA-N 0 3 475.564 4.665 20 0 JJADHN FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907490 721694774 /nfs/dbraw/zinc/69/47/74/721694774.db2.gz UKMIDLXVMSDGNG-QHCPKHFHSA-N 0 3 455.940 4.930 20 0 JJADHN C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@]5(CCN(Cc6ccccn6)C5)C4)c23)C1 ZINC001164905371 721702845 /nfs/dbraw/zinc/70/28/45/721702845.db2.gz ISUPSGDASOPVLH-OSPHWJPCSA-N 0 3 469.605 4.949 20 0 JJADHN COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904247 721721650 /nfs/dbraw/zinc/72/16/50/721721650.db2.gz AUWXUEUYWZMUQX-MHZLTWQESA-N 0 3 492.570 4.976 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904284 721724848 /nfs/dbraw/zinc/72/48/48/721724848.db2.gz BFTLIAOSJJWYLP-SANMLTNESA-N 0 3 472.543 4.825 20 0 JJADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911786 721735922 /nfs/dbraw/zinc/73/59/22/721735922.db2.gz KJDUGVMXDBTXFX-XMMPIXPASA-N 0 3 453.512 4.724 20 0 JJADHN COC(=O)CCN(c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O)C1CCCC1 ZINC001165051100 721988768 /nfs/dbraw/zinc/98/87/68/721988768.db2.gz NWLQMYUSCKDXPZ-UHFFFAOYSA-N 0 3 498.023 4.709 20 0 JJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964016 722055090 /nfs/dbraw/zinc/05/50/90/722055090.db2.gz QWLZMEHVNXJOGT-UHFFFAOYSA-N 0 3 472.967 4.947 20 0 JJADHN c1csc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979099 722107874 /nfs/dbraw/zinc/10/78/74/722107874.db2.gz HBYAMRQMWIUATM-AZUAARDMSA-N 0 3 463.632 4.542 20 0 JJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164985812 722107902 /nfs/dbraw/zinc/10/79/02/722107902.db2.gz WYSXCJSIYBEZLO-IBVKSMDESA-N 0 3 487.554 4.697 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982863 722108296 /nfs/dbraw/zinc/10/82/96/722108296.db2.gz PNKVMCYRRVTBTD-WXVAWEFUSA-N 0 3 499.590 4.567 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982861 722108315 /nfs/dbraw/zinc/10/83/15/722108315.db2.gz PNKVMCYRRVTBTD-AMGIVPHBSA-N 0 3 499.590 4.567 20 0 JJADHN c1ccc(-c2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975720 722114548 /nfs/dbraw/zinc/11/45/48/722114548.db2.gz KLRYTBCMXMJADN-SXOMAYOGSA-N 0 3 477.612 4.933 20 0 JJADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980453 722125533 /nfs/dbraw/zinc/12/55/33/722125533.db2.gz REWDLKSZGNYJJL-WXVAWEFUSA-N 0 3 483.591 4.867 20 0 JJADHN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984229 722133161 /nfs/dbraw/zinc/13/31/61/722133161.db2.gz WOSZHYHGVHAJTD-PGRDOPGGSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984230 722133200 /nfs/dbraw/zinc/13/32/00/722133200.db2.gz WOSZHYHGVHAJTD-XMSQKQJNSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983320 722141199 /nfs/dbraw/zinc/14/11/99/722141199.db2.gz UCNXKVHZNLULPX-GOTSBHOMSA-N 0 3 471.630 4.789 20 0 JJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980265 722141374 /nfs/dbraw/zinc/14/13/74/722141374.db2.gz MITYTUGLKATBKA-BKMJKUGQSA-N 0 3 469.564 4.558 20 0 JJADHN Cc1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983321 722141731 /nfs/dbraw/zinc/14/17/31/722141731.db2.gz UCNXKVHZNLULPX-PKTZIBPZSA-N 0 3 471.630 4.789 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982792 722141978 /nfs/dbraw/zinc/14/19/78/722141978.db2.gz SRWHFFAWBRVICC-BKMJKUGQSA-N 0 3 469.564 4.558 20 0 JJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976261 722153711 /nfs/dbraw/zinc/15/37/11/722153711.db2.gz WJWJSARZHBIQEH-UWJYYQICSA-N 0 3 458.940 4.597 20 0 JJADHN CC(C)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001359724715 1064272409 /nfs/dbraw/zinc/27/24/09/1064272409.db2.gz SQZUYVPRLDWITN-YADHBBJMSA-N 0 3 453.656 4.604 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880033 1064295686 /nfs/dbraw/zinc/29/56/86/1064295686.db2.gz NNENBAINZCPKLM-NRFANRHFSA-N 0 3 453.583 4.705 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880143 1064296296 /nfs/dbraw/zinc/29/62/96/1064296296.db2.gz RGYPCRYWPDMKMK-UYAOXDASSA-N 0 3 452.624 4.576 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001434885815 1064317733 /nfs/dbraw/zinc/31/77/33/1064317733.db2.gz WWRIMZBPLZBCAW-RLFYNMQTSA-N 0 3 451.792 4.822 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885823 1064317794 /nfs/dbraw/zinc/31/77/94/1064317794.db2.gz WWRIMZBPLZBCAW-VKJFTORMSA-N 0 3 451.792 4.822 20 0 JJADHN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001359746662 1064325146 /nfs/dbraw/zinc/32/51/46/1064325146.db2.gz KVTCSEUUYMQJBA-WOJBJXKFSA-N 0 3 460.047 4.824 20 0 JJADHN CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)CCO1 ZINC001359756185 1064352480 /nfs/dbraw/zinc/35/24/80/1064352480.db2.gz NGXZTUALKFHXSN-NRFANRHFSA-N 0 3 482.456 4.511 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(Br)cc2Br)c1 ZINC001435035492 1064451979 /nfs/dbraw/zinc/45/19/79/1064451979.db2.gz YNMVBGGSCACFBD-UHFFFAOYSA-N 0 3 454.206 4.724 20 0 JJADHN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001359796968 1064458113 /nfs/dbraw/zinc/45/81/13/1064458113.db2.gz QNXQPBAMQIBIHG-NRFANRHFSA-N 0 3 457.688 4.758 20 0 JJADHN Cc1cc(C)c(CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c(C)c1Br ZINC001435062801 1064480821 /nfs/dbraw/zinc/48/08/21/1064480821.db2.gz IJAWLTZCVOGPSO-UHFFFAOYSA-N 0 3 453.371 4.785 20 0 JJADHN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359809326 1064483466 /nfs/dbraw/zinc/48/34/66/1064483466.db2.gz NKCBXWMOECVPSO-QHCPKHFHSA-N 0 3 484.689 4.521 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001435065599 1064485104 /nfs/dbraw/zinc/48/51/04/1064485104.db2.gz UNUVGGTUYJVIBM-UHFFFAOYSA-N 0 3 459.299 4.864 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359832707 1064516454 /nfs/dbraw/zinc/51/64/54/1064516454.db2.gz NSBZBFGRKBOLTI-SFTDATJTSA-N 0 3 489.590 4.836 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001435108751 1064518459 /nfs/dbraw/zinc/51/84/59/1064518459.db2.gz OCRIMXJXMVIRIY-ZWKOTPCHSA-N 0 3 456.505 4.738 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cc(Br)c1 ZINC001359844669 1064530692 /nfs/dbraw/zinc/53/06/92/1064530692.db2.gz GVMKFGQMFHFJLZ-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001359853645 1064541161 /nfs/dbraw/zinc/54/11/61/1064541161.db2.gz MDKZAVKQXRBBSL-UHFFFAOYSA-N 0 3 452.565 4.698 20 0 JJADHN O=C(c1cc(Cl)ncc1Br)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359859177 1064547170 /nfs/dbraw/zinc/54/71/70/1064547170.db2.gz XFTMDJSREMJYIH-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001359860606 1064549288 /nfs/dbraw/zinc/54/92/88/1064549288.db2.gz UYDSVAONJWWYFI-UHFFFAOYSA-N 0 3 466.045 4.906 20 0 JJADHN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccs2)cc1Cl ZINC001359862945 1064553357 /nfs/dbraw/zinc/55/33/57/1064553357.db2.gz AAJUEYVMFRLQNH-RTBURBONSA-N 0 3 475.035 4.659 20 0 JJADHN C[S@@](=O)Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171303 1064565624 /nfs/dbraw/zinc/56/56/24/1064565624.db2.gz SGGOJPRMUQMBCD-IYZCWWITSA-N 0 3 474.051 4.529 20 0 JJADHN C[S@](=O)Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001435171291 1064565817 /nfs/dbraw/zinc/56/58/17/1064565817.db2.gz SGGOJPRMUQMBCD-ISOMHIKHSA-N 0 3 474.051 4.529 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1)[C@H]1CCCN(C)C1 ZINC001435188463 1064578042 /nfs/dbraw/zinc/57/80/42/1064578042.db2.gz KEYUTSIMIPTFIO-KRWDZBQOSA-N 0 3 451.514 4.717 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC001435189723 1064578913 /nfs/dbraw/zinc/57/89/13/1064578913.db2.gz RPEDJIJOMIUHJC-JOCHJYFZSA-N 0 3 451.636 4.896 20 0 JJADHN COc1cc(Cl)c(Br)cc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001435204947 1064590951 /nfs/dbraw/zinc/59/09/51/1064590951.db2.gz BZBGGIMYWUTTTO-OAHLLOKOSA-N 0 3 451.792 4.848 20 0 JJADHN CC(C)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001359921751 1064648708 /nfs/dbraw/zinc/64/87/08/1064648708.db2.gz SVMVWUARXNYILB-CLJLJLNGSA-N 0 3 497.728 4.684 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001359954390 1064719650 /nfs/dbraw/zinc/71/96/50/1064719650.db2.gz GFYNWQBTDZYFEC-QHCPKHFHSA-N 0 3 469.655 4.571 20 0 JJADHN CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435517527 1064800849 /nfs/dbraw/zinc/80/08/49/1064800849.db2.gz GNNSDHFGYQRSIX-HXUWFJFHSA-N 0 3 458.002 4.962 20 0 JJADHN CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2csc(CCc3ccccc3)n2)CC1 ZINC001360013850 1064812097 /nfs/dbraw/zinc/81/20/97/1064812097.db2.gz BIHLEFMWKMTWEO-UHFFFAOYSA-N 0 3 466.699 4.644 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001360017626 1064818490 /nfs/dbraw/zinc/81/84/90/1064818490.db2.gz HLJTYKZGKRUYRI-VWLOTQADSA-N 0 3 483.701 4.606 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001360017738 1064818559 /nfs/dbraw/zinc/81/85/59/1064818559.db2.gz IUFFRBZMCDHFPP-UNMCSNQZSA-N 0 3 490.490 4.547 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360018992 1064821837 /nfs/dbraw/zinc/82/18/37/1064821837.db2.gz XAFJMEVFDDOPMY-UHFFFAOYSA-N 0 3 478.950 4.839 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccncc2Cl)CC1 ZINC001360021254 1064824652 /nfs/dbraw/zinc/82/46/52/1064824652.db2.gz CCSFXBKMVQRMNZ-UHFFFAOYSA-N 0 3 489.849 4.582 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360030272 1064832089 /nfs/dbraw/zinc/83/20/89/1064832089.db2.gz GXXCWKBMTMKJQO-RBBKRZOGSA-N 0 3 460.066 4.506 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360029829 1064832122 /nfs/dbraw/zinc/83/21/22/1064832122.db2.gz ANTAPXMEOUMAJW-QHCPKHFHSA-N 0 3 490.549 4.663 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)c2nccs2)CC1 ZINC001360030328 1064832875 /nfs/dbraw/zinc/83/28/75/1064832875.db2.gz IGZAQPFMNZYHSP-SFHVURJKSA-N 0 3 459.063 4.561 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(C)CCC2)CC1 ZINC001360031308 1064833644 /nfs/dbraw/zinc/83/36/44/1064833644.db2.gz CYRHTEQIXXUTJI-UHFFFAOYSA-N 0 3 476.463 4.588 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc2c(cncc2Br)s1 ZINC001360032394 1064834284 /nfs/dbraw/zinc/83/42/84/1064834284.db2.gz LYCRUPRPWTWFPP-UHFFFAOYSA-N 0 3 454.340 4.541 20 0 JJADHN Cc1ccc(-n2nc(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)c3c2CCCC3)cc1 ZINC001360032490 1064835350 /nfs/dbraw/zinc/83/53/50/1064835350.db2.gz OKFTZRSMMKAOQZ-UHFFFAOYSA-N 0 3 452.549 4.542 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001360034379 1064838030 /nfs/dbraw/zinc/83/80/30/1064838030.db2.gz UMRJUWCGUWCGEQ-HSZRJFAPSA-N 0 3 480.632 4.609 20 0 JJADHN CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001360041672 1064857618 /nfs/dbraw/zinc/85/76/18/1064857618.db2.gz GFKOOUZJGDLKFX-NRFANRHFSA-N 0 3 488.702 4.605 20 0 JJADHN CC(C)CSCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001360080691 1064938879 /nfs/dbraw/zinc/93/88/79/1064938879.db2.gz OLYBAWWOBQCACK-UHFFFAOYSA-N 0 3 496.494 4.768 20 0 JJADHN CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001360082843 1064942969 /nfs/dbraw/zinc/94/29/69/1064942969.db2.gz NUHNDJWNPVNJFW-NRFANRHFSA-N 0 3 491.149 4.592 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805712 1065001456 /nfs/dbraw/zinc/00/14/56/1065001456.db2.gz QVKKHYLNRUCMIT-SGTLLEGYSA-N 0 3 459.281 4.857 20 0 JJADHN CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001360120194 1065007900 /nfs/dbraw/zinc/00/79/00/1065007900.db2.gz YBGGCIZOUUPEPX-REWPJTCUSA-N 0 3 455.578 4.622 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC001435887846 1065045310 /nfs/dbraw/zinc/04/53/10/1065045310.db2.gz CFUPORUMYWBKOH-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc2cc(Br)ccc2s1 ZINC001435889847 1065046979 /nfs/dbraw/zinc/04/69/79/1065046979.db2.gz MZWDGDHSCIWQNZ-LJQANCHMSA-N 0 3 459.409 4.685 20 0 JJADHN Cc1cc2cc(C(=O)NCC3(N4CCSCC4)CCCCC3)oc2c(Br)c1 ZINC001360150461 1065053947 /nfs/dbraw/zinc/05/39/47/1065053947.db2.gz CKYMPSSVPPOANG-UHFFFAOYSA-N 0 3 451.430 4.985 20 0 JJADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156089 1065057833 /nfs/dbraw/zinc/05/78/33/1065057833.db2.gz PXCBLYASSRGGMD-FQEVSTJZSA-N 0 3 484.998 4.546 20 0 JJADHN CSc1cccc(N(C(=O)Cc2ccc(F)c(Br)c2)C2CCN(C)CC2)c1 ZINC001360192171 1065075786 /nfs/dbraw/zinc/07/57/86/1065075786.db2.gz PITVDZWZGUJMPK-UHFFFAOYSA-N 0 3 451.405 4.980 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001435995855 1065098928 /nfs/dbraw/zinc/09/89/28/1065098928.db2.gz WOBJSFZNGLNARQ-HSZRJFAPSA-N 0 3 458.444 4.936 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC001435994962 1065099029 /nfs/dbraw/zinc/09/90/29/1065099029.db2.gz NCIPJWBOXNILSH-OAQYLSRUSA-N 0 3 455.400 4.521 20 0 JJADHN CC(C)NC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001360301689 1065134314 /nfs/dbraw/zinc/13/43/14/1065134314.db2.gz FNXMXYMOBFDPEU-UHFFFAOYSA-N 0 3 469.678 4.538 20 0 JJADHN COc1ccccc1Oc1ccc(CNC(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC001360303891 1065137198 /nfs/dbraw/zinc/13/71/98/1065137198.db2.gz PUGCIMRDFLIODI-UHFFFAOYSA-N 0 3 459.590 4.706 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC(C)(C)Oc4ccccc43)c(OCC)c2)CC1 ZINC001436101085 1065180674 /nfs/dbraw/zinc/18/06/74/1065180674.db2.gz HVDHUMGZDLEQSI-JOCHJYFZSA-N 0 3 451.611 4.901 20 0 JJADHN CC(C)O[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)CCOC1 ZINC001360348006 1065195801 /nfs/dbraw/zinc/19/58/01/1065195801.db2.gz QVRSAKXXSBKHRX-DEOSSOPVSA-N 0 3 496.121 4.640 20 0 JJADHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001360355320 1065204795 /nfs/dbraw/zinc/20/47/95/1065204795.db2.gz RYBMZOVJEODXGK-UHFFFAOYSA-N 0 3 451.995 4.924 20 0 JJADHN CCc1c(NC(=O)CCCN2CCN(c3ccccc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC001436135547 1065206921 /nfs/dbraw/zinc/20/69/21/1065206921.db2.gz PJXURRFICYIAOV-UHFFFAOYSA-N 0 3 452.002 4.629 20 0 JJADHN CCCN(C)[C@H](CNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197536 1065244940 /nfs/dbraw/zinc/24/49/40/1065244940.db2.gz JPAPDTDVNQZQLZ-FGZHOGPDSA-N 0 3 450.410 4.760 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1)[C@@H]1CCCN(C)C1 ZINC001360387116 1065251002 /nfs/dbraw/zinc/25/10/02/1065251002.db2.gz ABRMPPXVYTXXBR-QGZVFWFLSA-N 0 3 453.892 4.777 20 0 JJADHN C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387221 1065251837 /nfs/dbraw/zinc/25/18/37/1065251837.db2.gz DATARZNEMVHLCK-DKXPKDADSA-N 0 3 459.512 4.914 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCCN(C)C1 ZINC001360387496 1065251963 /nfs/dbraw/zinc/25/19/63/1065251963.db2.gz IXRDGNMGKCNIAE-UXHICEINSA-N 0 3 451.464 4.521 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCCN(C)C1 ZINC001360387497 1065252161 /nfs/dbraw/zinc/25/21/61/1065252161.db2.gz IXRDGNMGKCNIAE-VQTJNVASSA-N 0 3 451.464 4.521 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC001360388416 1065253165 /nfs/dbraw/zinc/25/31/65/1065253165.db2.gz TZVVLNBSJDRZDX-SANMLTNESA-N 0 3 455.602 4.890 20 0 JJADHN CCc1nc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC001360412689 1065275771 /nfs/dbraw/zinc/27/57/71/1065275771.db2.gz XCYSDNALADNFIX-QGZVFWFLSA-N 0 3 458.393 4.531 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H]3CC[C@H]3c3ccc(Cl)cc3F)CC2)cc1 ZINC001436369865 1065304505 /nfs/dbraw/zinc/30/45/05/1065304505.db2.gz SIJNFGWIGDUJIP-GMAHTHKFSA-N 0 3 457.977 4.712 20 0 JJADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360440494 1065324194 /nfs/dbraw/zinc/32/41/94/1065324194.db2.gz SMUJLOYENSBOOX-VQLRFDHRSA-N 0 3 494.690 4.639 20 0 JJADHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC001436567009 1065368489 /nfs/dbraw/zinc/36/84/89/1065368489.db2.gz NGBFXJYZUIADCT-OAQYLSRUSA-N 0 3 454.574 4.798 20 0 JJADHN COc1cccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1Cl ZINC001436632306 1065408311 /nfs/dbraw/zinc/40/83/11/1065408311.db2.gz VWFGEAJOBZIQNM-XZOQPEGZSA-N 0 3 452.957 4.815 20 0 JJADHN O=C(c1cc(Br)cc(Br)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001436936420 1065476745 /nfs/dbraw/zinc/47/67/45/1065476745.db2.gz RMYRIRCUEBQAAG-BEFAXECRSA-N 0 3 464.201 4.558 20 0 JJADHN C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360525378 1065502199 /nfs/dbraw/zinc/50/21/99/1065502199.db2.gz TWPHVSMMDJKPEW-FCEUIQTBSA-N 0 3 453.656 4.776 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)NC3(c4ccccc4Br)CCC3)cc2)CC1 ZINC001437321902 1065537749 /nfs/dbraw/zinc/53/77/49/1065537749.db2.gz VHNPWHFTJVODNE-UHFFFAOYSA-N 0 3 456.428 4.789 20 0 JJADHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651142 1065588323 /nfs/dbraw/zinc/58/83/23/1065588323.db2.gz FYTMRFXTVSCMMV-OAHLLOKOSA-N 0 3 452.780 4.892 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC001438328980 1065710641 /nfs/dbraw/zinc/71/06/41/1065710641.db2.gz HKQHIYCPFPRSEV-LEWJYISDSA-N 0 3 474.479 4.627 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC001360658704 1065727513 /nfs/dbraw/zinc/72/75/13/1065727513.db2.gz OAQRNNLEMHBARL-IEODJVTJSA-N 0 3 451.514 4.585 20 0 JJADHN CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)csc2s1 ZINC001360658269 1065727650 /nfs/dbraw/zinc/72/76/50/1065727650.db2.gz JRMAZWUFZACEAQ-IBGZPJMESA-N 0 3 455.649 4.873 20 0 JJADHN C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)C1 ZINC001360657829 1065727770 /nfs/dbraw/zinc/72/77/70/1065727770.db2.gz DFGKHKMJASCCMK-ZODMCCGTSA-N 0 3 457.659 4.947 20 0 JJADHN Cc1cccc2cc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)c(Cl)nc12 ZINC001360659048 1065728467 /nfs/dbraw/zinc/72/84/67/1065728467.db2.gz TZLIICVPVLMFKL-HXUWFJFHSA-N 0 3 450.970 4.615 20 0 JJADHN C[C@@H](O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001360731501 1065759490 /nfs/dbraw/zinc/75/94/90/1065759490.db2.gz DWQZAEKCQOAUAG-HXUWFJFHSA-N 0 3 467.683 4.590 20 0 JJADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601968 1065846750 /nfs/dbraw/zinc/84/67/50/1065846750.db2.gz WHVBABQOCUBHMY-FCHUYYIVSA-N 0 3 453.384 4.524 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCOC(F)(F)F ZINC001360773806 1065872694 /nfs/dbraw/zinc/87/26/94/1065872694.db2.gz LRGVHXFOPFHLKR-SFHVURJKSA-N 0 3 499.553 4.938 20 0 JJADHN O=C(NCc1ccc(Br)cc1F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001439944097 1065895330 /nfs/dbraw/zinc/89/53/30/1065895330.db2.gz VCQLHRQUGAVCNM-IBGZPJMESA-N 0 3 459.281 4.659 20 0 JJADHN CCCN(C(=O)[C@@H]1Cc2cc(Br)ccc2O1)C1CCN(Cc2ccccc2)CC1 ZINC001440072230 1065908900 /nfs/dbraw/zinc/90/89/00/1065908900.db2.gz FFFJDYVFLQJWBC-QHCPKHFHSA-N 0 3 457.412 4.656 20 0 JJADHN O=C(Nc1nn(CC(F)F)c2ccccc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001440205772 1065923562 /nfs/dbraw/zinc/92/35/62/1065923562.db2.gz COGVBGZTIKMLML-NRFANRHFSA-N 0 3 452.427 4.695 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2(C)CC2)CC1 ZINC001360834264 1065946218 /nfs/dbraw/zinc/94/62/18/1065946218.db2.gz CDSNIYIWWPUWIV-UHFFFAOYSA-N 0 3 450.400 4.567 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)c3cc4c([nH]3)c(Br)ccc4C)c(C)c2)CC1 ZINC001440611842 1065954239 /nfs/dbraw/zinc/95/42/39/1065954239.db2.gz BIWSWCXSTVNIIA-UHFFFAOYSA-N 0 3 455.400 4.941 20 0 JJADHN CC1CCN(CC(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC001440631477 1065956013 /nfs/dbraw/zinc/95/60/13/1065956013.db2.gz ZTVIQMBCSZPTBD-UHFFFAOYSA-N 0 3 451.014 4.942 20 0 JJADHN O=C(COc1ccc2ccccc2c1Br)NC[C@H](c1ccccc1)N1CCCC1 ZINC001440676522 1065963128 /nfs/dbraw/zinc/96/31/28/1065963128.db2.gz YOCNDQBADRIHFV-OAQYLSRUSA-N 0 3 453.380 4.934 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001440709992 1065968976 /nfs/dbraw/zinc/96/89/76/1065968976.db2.gz ZZKLCKIHRHFLJD-FQEVSTJZSA-N 0 3 457.405 4.729 20 0 JJADHN Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H](c2ccco2)N2CCCC2)c1C ZINC001360862346 1065980774 /nfs/dbraw/zinc/98/07/74/1065980774.db2.gz NPTDOGGOJCVLIG-JOCHJYFZSA-N 0 3 464.614 4.523 20 0 JJADHN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(CN(C)C)c4)cc3[nH]c2=S)c1C ZINC001440815666 1065980894 /nfs/dbraw/zinc/98/08/94/1065980894.db2.gz KCRGXJYDUAXXQD-UHFFFAOYSA-N 0 3 458.587 4.605 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876366 1065987731 /nfs/dbraw/zinc/98/77/31/1065987731.db2.gz JVNRLIIVVSOHHS-WMTXJRDZSA-N 0 3 459.428 4.935 20 0 JJADHN CN1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001441238067 1066017883 /nfs/dbraw/zinc/01/78/83/1066017883.db2.gz FPIAACWSCMEIHB-FQLXRVMXSA-N 0 3 455.646 4.898 20 0 JJADHN CN1CCN(CCCNC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC001441238081 1066018111 /nfs/dbraw/zinc/01/81/11/1066018111.db2.gz FPIAACWSCMEIHB-WDYNHAJCSA-N 0 3 455.646 4.898 20 0 JJADHN CN1CCN(CCCNC(=O)c2cc3ccccc3cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC001441240256 1066018706 /nfs/dbraw/zinc/01/87/06/1066018706.db2.gz IJTCVEVPVOOEQW-HSZRJFAPSA-N 0 3 453.533 4.550 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CCCc2nccs2)c1C ZINC001360876843 1066021480 /nfs/dbraw/zinc/02/14/80/1066021480.db2.gz BWZJQVCNUMRGFP-JOCHJYFZSA-N 0 3 482.698 4.902 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2nccs2)c1C ZINC001360877087 1066021841 /nfs/dbraw/zinc/02/18/41/1066021841.db2.gz HRINLNKXFJXVCJ-FQEVSTJZSA-N 0 3 468.671 4.655 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CCCCC2)c1C ZINC001360879674 1066031022 /nfs/dbraw/zinc/03/10/22/1066031022.db2.gz OHOHXNICSVRMQC-FGZHOGPDSA-N 0 3 455.647 4.525 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CCCCC2)c1C ZINC001360879675 1066031270 /nfs/dbraw/zinc/03/12/70/1066031270.db2.gz OHOHXNICSVRMQC-VXKWHMMOSA-N 0 3 455.647 4.525 20 0 JJADHN Cc1ccccc1Oc1ccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC001441691283 1066061717 /nfs/dbraw/zinc/06/17/17/1066061717.db2.gz LAGRVPBHFGLHIN-UHFFFAOYSA-N 0 3 458.606 4.510 20 0 JJADHN Cc1nc(-c2ccc(C(=O)NCCCCN3CCN(Cc4ccccc4)CC3)s2)cs1 ZINC001441694427 1066061943 /nfs/dbraw/zinc/06/19/43/1066061943.db2.gz SVECRYMJKZLZQW-UHFFFAOYSA-N 0 3 454.665 4.508 20 0 JJADHN C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)c1cc2c(cc1Br)OCCO2 ZINC001441812650 1066072008 /nfs/dbraw/zinc/07/20/08/1066072008.db2.gz CVHZOPKKYLWGOC-MRXNPFEDSA-N 0 3 459.384 4.697 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442064006 1066088791 /nfs/dbraw/zinc/08/87/91/1066088791.db2.gz SCCNBBPOBFISIF-RDGATRHJSA-N 0 3 457.977 4.952 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304299 1066114700 /nfs/dbraw/zinc/11/47/00/1066114700.db2.gz HVILOVCMXPJBRJ-OKZBNKHCSA-N 0 3 454.455 4.952 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccc(C(F)(F)F)cc1 ZINC001442307056 1066115347 /nfs/dbraw/zinc/11/53/47/1066115347.db2.gz OHGVYPBLHCUPQO-GOSISDBHSA-N 0 3 451.514 4.563 20 0 JJADHN CC(C)c1ccc(-n2ccnc2SCC(=O)N(CCN(C)C)Cc2ccccc2F)cc1 ZINC001442348865 1066118644 /nfs/dbraw/zinc/11/86/44/1066118644.db2.gz PFZVLGSACRMBPM-UHFFFAOYSA-N 0 3 454.615 4.817 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)N(C)C)cc1 ZINC001442478160 1066130698 /nfs/dbraw/zinc/13/06/98/1066130698.db2.gz UNHDSUTYKOSUIL-UCFCWBNQSA-N 0 3 459.993 4.505 20 0 JJADHN COc1ccc(Br)cc1C1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001442597736 1066142889 /nfs/dbraw/zinc/14/28/89/1066142889.db2.gz ZKBIBJDNFLDAOQ-NRFANRHFSA-N 0 3 457.412 4.751 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)N2CCCC2)cc1 ZINC001442597785 1066142911 /nfs/dbraw/zinc/14/29/11/1066142911.db2.gz ZSGGSTAKAGBBJZ-KCWPFWIISA-N 0 3 451.611 4.688 20 0 JJADHN C[C@@H](C1CC1)N(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC001442631807 1066146261 /nfs/dbraw/zinc/14/62/61/1066146261.db2.gz HAJIRWXEOZDERO-FQEVSTJZSA-N 0 3 455.643 4.726 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC001442715525 1066154794 /nfs/dbraw/zinc/15/47/94/1066154794.db2.gz AXGMLMWFTVAIFQ-UHFFFAOYSA-N 0 3 457.496 4.883 20 0 JJADHN C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C ZINC001442718357 1066154847 /nfs/dbraw/zinc/15/48/47/1066154847.db2.gz DTIRCCPQJFVSFN-IEBWSBKVSA-N 0 3 471.564 4.631 20 0 JJADHN O=C([C@H](CO)c1ccc(Cl)cc1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442726799 1066156079 /nfs/dbraw/zinc/15/60/79/1066156079.db2.gz OSLDLTWOUHWZKE-LJQANCHMSA-N 0 3 455.813 4.847 20 0 JJADHN C[C@H]1CCCC[C@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001442755272 1066157053 /nfs/dbraw/zinc/15/70/53/1066157053.db2.gz ZCMJZJOAOOZYHA-GMAHTHKFSA-N 0 3 457.659 4.879 20 0 JJADHN CCc1csc(-n2cc(C(=O)N(CCN(C)Cc3ccccc3)Cc3ccccc3)cn2)n1 ZINC001361013734 1066198865 /nfs/dbraw/zinc/19/88/65/1066198865.db2.gz UDQQQZNCXVITNY-UHFFFAOYSA-N 0 3 459.619 4.666 20 0 JJADHN COc1cc(OC)c(C2CCN(C(=O)c3cccc(CN4CCCCC4)c3)CC2)c(OC)c1 ZINC001453969899 1066226856 /nfs/dbraw/zinc/22/68/56/1066226856.db2.gz GIQSQQARGXGLFB-UHFFFAOYSA-N 0 3 452.595 4.718 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006750 1066232624 /nfs/dbraw/zinc/23/26/24/1066232624.db2.gz BTBQLUJBONUYAO-VZSQWMKGSA-N 0 3 453.530 4.695 20 0 JJADHN CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442869051 1066234411 /nfs/dbraw/zinc/23/44/11/1066234411.db2.gz JFQLKOOCVFMOFW-NFBKMPQASA-N 0 3 452.517 4.631 20 0 JJADHN CC[C@@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546060040 1066271561 /nfs/dbraw/zinc/27/15/61/1066271561.db2.gz UQTIVUDEIRPQHN-LVXARBLLSA-N 0 3 487.714 4.705 20 0 JJADHN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399492 1066277488 /nfs/dbraw/zinc/27/74/88/1066277488.db2.gz FWUGBIXKESPMOR-LGVFNWMJSA-N 0 3 457.659 4.687 20 0 JJADHN C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399498 1066277651 /nfs/dbraw/zinc/27/76/51/1066277651.db2.gz FWUGBIXKESPMOR-PQNGQFLHSA-N 0 3 457.659 4.687 20 0 JJADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(F)ccc2Sc2ccc(Cl)cc2)CC1 ZINC001443432874 1066310534 /nfs/dbraw/zinc/31/05/34/1066310534.db2.gz UOMIPQYTNGVHDY-KRWDZBQOSA-N 0 3 450.023 4.634 20 0 JJADHN CN1CCN(c2ccnc(NC(=O)[C@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649890 1066314454 /nfs/dbraw/zinc/31/44/54/1066314454.db2.gz NSRYNFFSKFCEEF-HSZRJFAPSA-N 0 3 454.546 4.584 20 0 JJADHN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001546064241 1066317754 /nfs/dbraw/zinc/31/77/54/1066317754.db2.gz LLRJJIZCQFUDPX-NIYFSFCBSA-N 0 3 499.681 4.962 20 0 JJADHN CCOC(=O)Nc1ccc(OC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001443578924 1066331291 /nfs/dbraw/zinc/33/12/91/1066331291.db2.gz LFYQFQLCCKNFNH-NHCUHLMSSA-N 0 3 451.548 4.533 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(C)C)CC2)n1Cc1nccs1 ZINC001361090511 1066339090 /nfs/dbraw/zinc/33/90/90/1066339090.db2.gz GRICXOPXPFPMDH-UHFFFAOYSA-N 0 3 489.089 4.534 20 0 JJADHN Cc1cc(F)ccc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)CC1 ZINC001361092213 1066343138 /nfs/dbraw/zinc/34/31/38/1066343138.db2.gz BNVQLKJXLBRUOM-UHFFFAOYSA-N 0 3 489.437 4.504 20 0 JJADHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008642 1066352874 /nfs/dbraw/zinc/35/28/74/1066352874.db2.gz FYUANLQAMSAEJW-HXUWFJFHSA-N 0 3 456.011 4.617 20 0 JJADHN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001455455998 1066392471 /nfs/dbraw/zinc/39/24/71/1066392471.db2.gz MXPNIBSDIOBXKJ-BJKOFHAPSA-N 0 3 459.556 4.578 20 0 JJADHN Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC001444074802 1066400274 /nfs/dbraw/zinc/40/02/74/1066400274.db2.gz BTBNEZRHHWJONP-GOSISDBHSA-N 0 3 459.619 4.715 20 0 JJADHN COc1ccccc1Oc1ccc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC001444141796 1066414563 /nfs/dbraw/zinc/41/45/63/1066414563.db2.gz VIQDMNLAPVSKBU-UHFFFAOYSA-N 0 3 459.590 4.624 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)CC2)N(C)C)cc1 ZINC001361140691 1066418889 /nfs/dbraw/zinc/41/88/89/1066418889.db2.gz FMIGGYRJIUYWLO-WOJBJXKFSA-N 0 3 451.537 4.520 20 0 JJADHN Cc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(C)(C)C)C2)N(C)C)cc1 ZINC001361141008 1066419460 /nfs/dbraw/zinc/41/94/60/1066419460.db2.gz JWJFVHAJFUMVCY-VXKWHMMOSA-N 0 3 494.709 4.753 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](C)CC2)N(C)C)cc1 ZINC001361140935 1066419488 /nfs/dbraw/zinc/41/94/88/1066419488.db2.gz JEFMSJUELQLWCD-DENIHFKCSA-N 0 3 480.682 4.507 20 0 JJADHN Cc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)N(C)C)cc1 ZINC001361140898 1066419534 /nfs/dbraw/zinc/41/95/34/1066419534.db2.gz ILHDTAHJBURNIO-JOCHJYFZSA-N 0 3 467.683 4.936 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141607 1066420874 /nfs/dbraw/zinc/42/08/74/1066420874.db2.gz ONILNKMNWMUVMC-RWCIVJTCSA-N 0 3 469.674 4.556 20 0 JJADHN C[C@H]1[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C ZINC001455953862 1066459497 /nfs/dbraw/zinc/45/94/97/1066459497.db2.gz WZBAIIZZPMICAY-UGSOOPFHSA-N 0 3 452.407 4.547 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccc(Cl)cc1F ZINC001444647605 1066487948 /nfs/dbraw/zinc/48/79/48/1066487948.db2.gz IMXXLHOQPKINSP-UHFFFAOYSA-N 0 3 455.755 4.515 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC001444655490 1066489599 /nfs/dbraw/zinc/48/95/99/1066489599.db2.gz ZSQXCLDLHILRSA-UHFFFAOYSA-N 0 3 451.954 4.801 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)ccc1Br ZINC001456051267 1066493725 /nfs/dbraw/zinc/49/37/25/1066493725.db2.gz AJMHRURNLXJSSZ-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001456051928 1066493919 /nfs/dbraw/zinc/49/39/19/1066493919.db2.gz CMUVHEDUGIEPCP-UHFFFAOYSA-N 0 3 452.549 4.759 20 0 JJADHN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001456053331 1066494584 /nfs/dbraw/zinc/49/45/84/1066494584.db2.gz FQEXPBPDLRFZOF-HXUWFJFHSA-N 0 3 452.545 4.913 20 0 JJADHN CN(C)[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176400 1066494649 /nfs/dbraw/zinc/49/46/49/1066494649.db2.gz MZCMGPUUVJDHCR-XMMPIXPASA-N 0 3 457.018 4.786 20 0 JJADHN COC(=O)Nc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC001456059039 1066497860 /nfs/dbraw/zinc/49/78/60/1066497860.db2.gz WPLKWBQKCMJAHX-UHFFFAOYSA-N 0 3 457.880 4.741 20 0 JJADHN COc1ccc(Br)c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001456059544 1066497908 /nfs/dbraw/zinc/49/79/08/1066497908.db2.gz ZJXBYWFKYIERLT-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC001456058803 1066497989 /nfs/dbraw/zinc/49/79/89/1066497989.db2.gz VARZULDMSMRZMK-UHFFFAOYSA-N 0 3 451.728 4.894 20 0 JJADHN CCN(CC1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767290 1066502633 /nfs/dbraw/zinc/50/26/33/1066502633.db2.gz GQCRMHYZNHVLPK-DEOSSOPVSA-N 0 3 457.659 4.845 20 0 JJADHN Cc1ccc(-c2nnc(N(C)CCCc3ccccn3)n2CCN2CC=CCC2)cc1Br ZINC001361187193 1066511102 /nfs/dbraw/zinc/51/11/02/1066511102.db2.gz IMIRRYRNIGQUBM-UHFFFAOYSA-N 0 3 495.469 4.742 20 0 JJADHN C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCN1Cc1ccccc1 ZINC001444893532 1066516430 /nfs/dbraw/zinc/51/64/30/1066516430.db2.gz SSVFLUZUNGQJGK-KRWDZBQOSA-N 0 3 453.384 4.576 20 0 JJADHN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1OCCC ZINC001445043927 1066533095 /nfs/dbraw/zinc/53/30/95/1066533095.db2.gz CTJKXKTXJAKEEO-FPOVZHCZSA-N 0 3 452.595 4.708 20 0 JJADHN CC(C)Nc1ccc(Br)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001445227216 1066546950 /nfs/dbraw/zinc/54/69/50/1066546950.db2.gz SPEDLEMCMRVPMF-UHFFFAOYSA-N 0 3 459.432 4.810 20 0 JJADHN CCc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c2c(CC(C)(C)C)noc2n1 ZINC001456298824 1066557832 /nfs/dbraw/zinc/55/78/32/1066557832.db2.gz ANPJVMDAISPTHW-UHFFFAOYSA-N 0 3 458.672 4.855 20 0 JJADHN O=C(CCCc1ccc(Br)cc1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456436562 1066585535 /nfs/dbraw/zinc/58/55/35/1066585535.db2.gz KGOJVFJJEMEIQI-UHFFFAOYSA-N 0 3 459.428 4.523 20 0 JJADHN Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC(C)(C)C2)o1 ZINC001361247134 1066589517 /nfs/dbraw/zinc/58/95/17/1066589517.db2.gz QRFXPVJKLPQTQM-UHFFFAOYSA-N 0 3 478.641 4.807 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@@H]1CCCN(C)C1 ZINC001456498456 1066600982 /nfs/dbraw/zinc/60/09/82/1066600982.db2.gz HMSAZMCQCWPUMH-HXUWFJFHSA-N 0 3 455.986 4.547 20 0 JJADHN Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)c1 ZINC001456501080 1066602392 /nfs/dbraw/zinc/60/23/92/1066602392.db2.gz RGKJIAXZPIEIQQ-QHCPKHFHSA-N 0 3 451.611 4.692 20 0 JJADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778294 1066615970 /nfs/dbraw/zinc/61/59/70/1066615970.db2.gz CLBRMPQIIOBSJH-SJKOYZFVSA-N 0 3 450.764 4.502 20 0 JJADHN Cc1c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001456562401 1066625665 /nfs/dbraw/zinc/62/56/65/1066625665.db2.gz PZUUCDFMBQHYEC-GOSISDBHSA-N 0 3 456.512 4.936 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)CCN1c2ccccc2CCC1=O)Cc1ccccc1 ZINC001361278632 1066636094 /nfs/dbraw/zinc/63/60/94/1066636094.db2.gz CPFGFZXBOZLSFH-UHFFFAOYSA-N 0 3 455.602 4.517 20 0 JJADHN Cc1c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)nnn1-c1cccc(C)c1 ZINC001361278740 1066636149 /nfs/dbraw/zinc/63/61/49/1066636149.db2.gz GBTAOVCKFHWJEL-UHFFFAOYSA-N 0 3 453.590 4.659 20 0 JJADHN Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccsc1)N(C)C ZINC001492601190 1066655181 /nfs/dbraw/zinc/65/51/81/1066655181.db2.gz YWUXKIAYZWIKLR-JOCHJYFZSA-N 0 3 462.623 4.528 20 0 JJADHN Cc1cc(CN(C)C)cc(NC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 ZINC001446187619 1066671219 /nfs/dbraw/zinc/67/12/19/1066671219.db2.gz YTDPDOOZFIHZEQ-UHFFFAOYSA-N 0 3 458.628 4.880 20 0 JJADHN CC1=CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001492610801 1066672687 /nfs/dbraw/zinc/67/26/87/1066672687.db2.gz IEAUQCFBSYLZCV-RPWUZVMVSA-N 0 3 494.684 4.852 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1F ZINC001446277964 1066683930 /nfs/dbraw/zinc/68/39/30/1066683930.db2.gz AZNKPXLOPGUWSC-HFZDXXHNSA-N 0 3 450.529 4.553 20 0 JJADHN O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001446293194 1066686798 /nfs/dbraw/zinc/68/67/98/1066686798.db2.gz ZQVMDFZPHVFTAA-LATWDLLGSA-N 0 3 450.579 4.567 20 0 JJADHN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001446293180 1066686905 /nfs/dbraw/zinc/68/69/05/1066686905.db2.gz ZQVMDFZPHVFTAA-GQHFZBACSA-N 0 3 450.579 4.567 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001446321851 1066690489 /nfs/dbraw/zinc/69/04/89/1066690489.db2.gz IEWZFUHSGHOSOI-NRFANRHFSA-N 0 3 453.583 4.705 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(Cl)cc(F)c2Br)cc1 ZINC001446354754 1066695508 /nfs/dbraw/zinc/69/55/08/1066695508.db2.gz PSYSYVCKQDVZGO-SFHVURJKSA-N 0 3 455.755 4.817 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc3c(Br)cccc3cn2)cc1 ZINC001446356166 1066695636 /nfs/dbraw/zinc/69/56/36/1066695636.db2.gz STTFIEKTXCWWKJ-QFIPXVFZSA-N 0 3 454.368 4.573 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccccc2COc2cccc(C=O)c2)cc1 ZINC001446358139 1066695670 /nfs/dbraw/zinc/69/56/70/1066695670.db2.gz YPXULBVAEDAMDI-HHHXNRCGSA-N 0 3 458.558 4.654 20 0 JJADHN Cc1csc([C@H]2CCCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492643126 1066738672 /nfs/dbraw/zinc/73/86/72/1066738672.db2.gz ZFPZHWQZULUQNE-FPOVZHCZSA-N 0 3 456.635 4.992 20 0 JJADHN Cc1csc(CCCCn2c(-c3ccccc3F)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001492644199 1066741717 /nfs/dbraw/zinc/74/17/17/1066741717.db2.gz HUTXPPQSLCDHBB-UHFFFAOYSA-N 0 3 456.635 4.650 20 0 JJADHN Cc1csc(CN(C)c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)c1 ZINC001492646321 1066749423 /nfs/dbraw/zinc/74/94/23/1066749423.db2.gz DGMSKWQNDWJBSV-UHFFFAOYSA-N 0 3 450.587 4.618 20 0 JJADHN CS[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@@H]1N1CCCC1 ZINC001447359372 1066797983 /nfs/dbraw/zinc/79/79/83/1066797983.db2.gz FGXSLKIHEGSCCJ-PKOBYXMFSA-N 0 3 452.407 4.833 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671343 1066801853 /nfs/dbraw/zinc/80/18/53/1066801853.db2.gz VBZWPUKASZPYIJ-HYFFOGBASA-N 0 3 456.635 4.558 20 0 JJADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)C1 ZINC001447621305 1066830467 /nfs/dbraw/zinc/83/04/67/1066830467.db2.gz YGLZEDMYUCMPNZ-UHFFFAOYSA-N 0 3 458.534 4.546 20 0 JJADHN Cc1nc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001492687518 1066833089 /nfs/dbraw/zinc/83/30/89/1066833089.db2.gz ZFTJXPCWXDMGBL-KRWDZBQOSA-N 0 3 489.089 5.000 20 0 JJADHN Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)s1 ZINC001492698755 1066852903 /nfs/dbraw/zinc/85/29/03/1066852903.db2.gz KHULXZHYLHFUOZ-HXUWFJFHSA-N 0 3 486.642 4.762 20 0 JJADHN Cc1ncc(CN(C)c2nnc(COc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)s1 ZINC001492698754 1066853008 /nfs/dbraw/zinc/85/30/08/1066853008.db2.gz KHULXZHYLHFUOZ-FQEVSTJZSA-N 0 3 486.642 4.762 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC001447920357 1066876786 /nfs/dbraw/zinc/87/67/86/1066876786.db2.gz OBEWKFROUSUAQB-HSZRJFAPSA-N 0 3 456.542 4.751 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001448125982 1066902446 /nfs/dbraw/zinc/90/24/46/1066902446.db2.gz SYBKJSAFRJCRRQ-QHCPKHFHSA-N 0 3 451.611 4.871 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126879 1066902943 /nfs/dbraw/zinc/90/29/43/1066902943.db2.gz UOJZRFHVDWDOAD-GOTSBHOMSA-N 0 3 451.611 4.798 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128289 1066903042 /nfs/dbraw/zinc/90/30/42/1066903042.db2.gz XHVNUZOKQWBZIU-XWGVYQGASA-N 0 3 459.675 4.933 20 0 JJADHN Cc1cc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001457716846 1066903732 /nfs/dbraw/zinc/90/37/32/1066903732.db2.gz LTMPKYLVELXOCY-MZYLBHOOSA-N 0 3 481.641 4.613 20 0 JJADHN Cc1cc(NC(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC001457740987 1066908140 /nfs/dbraw/zinc/90/81/40/1066908140.db2.gz WIQJSROYBMSITR-UHFFFAOYSA-N 0 3 458.647 4.501 20 0 JJADHN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)N1CCCCCC1 ZINC001448295979 1066916728 /nfs/dbraw/zinc/91/67/28/1066916728.db2.gz MZHYRKOJOVXRJM-RXVVDRJESA-N 0 3 450.023 4.725 20 0 JJADHN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001492798570 1066951755 /nfs/dbraw/zinc/95/17/55/1066951755.db2.gz IIGNYPIZTXDPAZ-HNNXBMFYSA-N 0 3 465.442 4.728 20 0 JJADHN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@H](c1cccs1)N(C)C ZINC001492829708 1066954937 /nfs/dbraw/zinc/95/49/37/1066954937.db2.gz AAGFKZXRLMPLFD-OAQYLSRUSA-N 0 3 482.654 4.861 20 0 JJADHN Cc1c2cc(C(=O)Nc3cccc(CN4CCC(CO)CC4)c3)[nH]c2ccc1Br ZINC001545714171 1066970680 /nfs/dbraw/zinc/97/06/80/1066970680.db2.gz QCWLARYSRMFJRJ-UHFFFAOYSA-N 0 3 456.384 4.695 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545724014 1066979965 /nfs/dbraw/zinc/97/99/65/1066979965.db2.gz KNTUJINXAKWQAZ-FCEUIQTBSA-N 0 3 453.656 4.657 20 0 JJADHN CN(C)C[C@@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062422 1066980915 /nfs/dbraw/zinc/98/09/15/1066980915.db2.gz OINATOMVCCQRLW-YEMUAQJGSA-N 0 3 457.618 4.671 20 0 JJADHN CC(C)(C)c1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nc(C(C)(C)C)n1 ZINC001458134549 1066985065 /nfs/dbraw/zinc/98/50/65/1066985065.db2.gz DBSVERNGCFLIKI-OAQYLSRUSA-N 0 3 450.675 4.505 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731389 1066991182 /nfs/dbraw/zinc/99/11/82/1066991182.db2.gz NRRNIGFVHBRNTM-YBMQWUKTSA-N 0 3 453.675 4.680 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731542 1066991767 /nfs/dbraw/zinc/99/17/67/1066991767.db2.gz PVNYJEOQXOYKIV-CNNODRBYSA-N 0 3 453.034 4.836 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732041 1066993181 /nfs/dbraw/zinc/99/31/81/1066993181.db2.gz WQFHMWPQQPNIFT-OQLXKQOESA-N 0 3 492.634 4.623 20 0 JJADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336790 1067001300 /nfs/dbraw/zinc/00/13/00/1067001300.db2.gz ZJCVUHYEBOAQNA-LEWJYISDSA-N 0 3 450.608 4.734 20 0 JJADHN CCCN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001449355773 1067002881 /nfs/dbraw/zinc/00/28/81/1067002881.db2.gz LQAHMYILFLSZIC-DHLKQENFSA-N 0 3 453.652 4.875 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001545748494 1067017714 /nfs/dbraw/zinc/01/77/14/1067017714.db2.gz BFFTUXXLNICPAR-DNQXCXABSA-N 0 3 451.659 4.866 20 0 JJADHN O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC001458283243 1067020910 /nfs/dbraw/zinc/02/09/10/1067020910.db2.gz JVBINHKRCJLCQO-QXAKKESOSA-N 0 3 456.505 4.832 20 0 JJADHN CC[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756111 1067032362 /nfs/dbraw/zinc/03/23/62/1067032362.db2.gz AWELBUQEDNLIFM-PMACEKPBSA-N 0 3 467.580 4.708 20 0 JJADHN CN1CCN(C(=O)Cc2csc(-c3cc(Br)cs3)n2)CC12CCCCC2 ZINC001449904413 1067036201 /nfs/dbraw/zinc/03/62/01/1067036201.db2.gz XATAYAFOIRPIPX-UHFFFAOYSA-N 0 3 454.459 4.654 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC3CC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545758913 1067040191 /nfs/dbraw/zinc/04/01/91/1067040191.db2.gz PAXJXGFIAFKJOC-XMMPIXPASA-N 0 3 496.700 4.609 20 0 JJADHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001458387943 1067048533 /nfs/dbraw/zinc/04/85/33/1067048533.db2.gz QHYVGRHGCHZZPN-QGCDCVKKSA-N 0 3 454.920 4.987 20 0 JJADHN CCOc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccc(SC)cc3)N(C)C)cs2)cc1 ZINC001450138127 1067052369 /nfs/dbraw/zinc/05/23/69/1067052369.db2.gz VXZYOTWJXPAVAZ-QFIPXVFZSA-N 0 3 455.649 4.892 20 0 JJADHN CC[C@H](c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545767882 1067053464 /nfs/dbraw/zinc/05/34/64/1067053464.db2.gz ISFNAPBDGHVERH-ZDXQCDESSA-N 0 3 488.671 4.575 20 0 JJADHN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1ccccc1CN(C)C ZINC001450218426 1067060642 /nfs/dbraw/zinc/06/06/42/1067060642.db2.gz IQIRRDMKNSULPS-INIZCTEOSA-N 0 3 450.364 4.950 20 0 JJADHN C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541390 1067088482 /nfs/dbraw/zinc/08/84/82/1067088482.db2.gz OBUJTSLYGDVGHT-CVDCTZTESA-N 0 3 455.549 4.538 20 0 JJADHN Cc1nc2sc3c(c2c(NCCN2CCC(NC(=O)OC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC001458577666 1067090350 /nfs/dbraw/zinc/09/03/50/1067090350.db2.gz KWKGYICUSUMDDB-HNNXBMFYSA-N 0 3 459.660 4.526 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634041 1067099267 /nfs/dbraw/zinc/09/92/67/1067099267.db2.gz WDKQNAGOTYLPIS-VGSWGCGISA-N 0 3 456.011 4.555 20 0 JJADHN CC[C@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546102508 1067099316 /nfs/dbraw/zinc/09/93/16/1067099316.db2.gz ZGDMNXSNIXVGBC-XDSPWSPCSA-N 0 3 475.703 4.566 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC001450697108 1067105163 /nfs/dbraw/zinc/10/51/63/1067105163.db2.gz DRNRHEUYTFSSNO-UHFFFAOYSA-N 0 3 459.413 4.637 20 0 JJADHN Cc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)c1 ZINC001450699935 1067106150 /nfs/dbraw/zinc/10/61/50/1067106150.db2.gz KOUCBLPFKAQJBD-LJQANCHMSA-N 0 3 459.428 4.786 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)[C@@H](O)C2CCCCCCC2)CC1 ZINC001450701229 1067106948 /nfs/dbraw/zinc/10/69/48/1067106948.db2.gz NGTJIZDCXIBXJY-QFIPXVFZSA-N 0 3 451.449 4.593 20 0 JJADHN CN(C)c1cccc(CCC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)c1 ZINC001450704602 1067107583 /nfs/dbraw/zinc/10/75/83/1067107583.db2.gz YIBHLVIVBBSIRI-UHFFFAOYSA-N 0 3 458.444 4.571 20 0 JJADHN COc1ccc(-c2cc(C(=O)N[C@@H](CN(C)C)c3ccc(F)cc3)nn2-c2ccccc2)cc1 ZINC001450705003 1067108013 /nfs/dbraw/zinc/10/80/13/1067108013.db2.gz OPWAPZSOBCELIE-VWLOTQADSA-N 0 3 458.537 4.720 20 0 JJADHN C[C@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC001450789449 1067120948 /nfs/dbraw/zinc/12/09/48/1067120948.db2.gz JOBYHXMSEWGVQU-URXFXBBRSA-N 0 3 457.659 4.973 20 0 JJADHN Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450794180 1067121818 /nfs/dbraw/zinc/12/18/18/1067121818.db2.gz FQXUPVSINUIGLI-QFIPXVFZSA-N 0 3 457.615 4.844 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 ZINC001450801342 1067123239 /nfs/dbraw/zinc/12/32/39/1067123239.db2.gz SDIBCVDOYWYHJD-UIUQJESISA-N 0 3 459.609 4.806 20 0 JJADHN C[C@@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CCN1Cc1ccccc1 ZINC001450806777 1067123911 /nfs/dbraw/zinc/12/39/11/1067123911.db2.gz WVIDEPXKJUJTCY-TZIWHRDSSA-N 0 3 454.640 4.592 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)CC(C)(C)C1)N1CCOCC1 ZINC001545808201 1067132274 /nfs/dbraw/zinc/13/22/74/1067132274.db2.gz UQUZPBZSEOJWIP-BWKNWUBXSA-N 0 3 483.701 4.963 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(Cl)=C(Cl)C1)N1CCOCC1 ZINC001545808341 1067133569 /nfs/dbraw/zinc/13/35/69/1067133569.db2.gz WXWWMAYBKSEDAL-JOCHJYFZSA-N 0 3 478.468 4.981 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@H]1C)N1CCOCC1 ZINC001545808334 1067133701 /nfs/dbraw/zinc/13/37/01/1067133701.db2.gz WUTLCERXAQEPOO-XMSQKQJNSA-N 0 3 478.106 4.677 20 0 JJADHN Nc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451122525 1067147461 /nfs/dbraw/zinc/14/74/61/1067147461.db2.gz YTNWZAKFKBDXEV-JTHBVZDNSA-N 0 3 457.471 4.825 20 0 JJADHN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccccc2Cl)CCN(Cc2ccccc2)CC1 ZINC001451296703 1067158021 /nfs/dbraw/zinc/15/80/21/1067158021.db2.gz ABJPESCSGXAJLY-UHFFFAOYSA-N 0 3 458.002 4.629 20 0 JJADHN CC[C@H]1CCCC[C@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451303701 1067158595 /nfs/dbraw/zinc/15/85/95/1067158595.db2.gz NQYIJYRAZJATJB-XZOQPEGZSA-N 0 3 457.659 4.879 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545848851 1067201710 /nfs/dbraw/zinc/20/17/10/1067201710.db2.gz GZSBIKDBOGMMMK-LGVFNWMJSA-N 0 3 466.674 4.658 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)CCc2cc(Cl)ccc2Br)c1 ZINC001458959974 1067209477 /nfs/dbraw/zinc/20/94/77/1067209477.db2.gz QKCKHFGWTUJOPZ-UHFFFAOYSA-N 0 3 453.808 4.634 20 0 JJADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001458970697 1067213294 /nfs/dbraw/zinc/21/32/94/1067213294.db2.gz CXHMRCYAHRIOQH-JOCHJYFZSA-N 0 3 452.501 4.778 20 0 JJADHN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001458975571 1067214815 /nfs/dbraw/zinc/21/48/15/1067214815.db2.gz TUKDRMPVRRSHEN-RUZDIDTESA-N 0 3 452.639 4.859 20 0 JJADHN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N(CCN(C)C)CC(=O)N(C)C)CCC[C@]3(C)[C@@H]2CC1 ZINC001453118624 1067280421 /nfs/dbraw/zinc/28/04/21/1067280421.db2.gz BXLBVHRNJPEWFP-WKWYISCVSA-N 0 3 457.703 4.600 20 0 JJADHN CC[C@@]1(C)CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546047848 1067281897 /nfs/dbraw/zinc/28/18/97/1067281897.db2.gz FDJOTFQMDPZKTA-CPJSRVTESA-N 0 3 476.065 4.733 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)C(C)(C)c3csc(-c4cccs4)n3)CC2)c1 ZINC001453150107 1067283838 /nfs/dbraw/zinc/28/38/38/1067283838.db2.gz YGZXKMMJKBNLQI-UHFFFAOYSA-N 0 3 455.649 4.939 20 0 JJADHN CCN(C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)[C@H]1CCN(CC)C1 ZINC001453178789 1067287441 /nfs/dbraw/zinc/28/74/41/1067287441.db2.gz PEXUVBZFEYLUMM-FQEVSTJZSA-N 0 3 457.500 4.509 20 0 JJADHN C[C@@H](C(=O)N(C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC001453273277 1067292920 /nfs/dbraw/zinc/29/29/20/1067292920.db2.gz YAAJLBQXZTVKPW-KRWDZBQOSA-N 0 3 458.528 4.883 20 0 JJADHN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCN(C(C)(C)C)CC1 ZINC001459348236 1067300209 /nfs/dbraw/zinc/30/02/09/1067300209.db2.gz PWDLMNINBACMSU-UHFFFAOYSA-N 0 3 457.640 4.563 20 0 JJADHN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@H]3CCCCN3C3CCCC3)cc2)C1 ZINC001453394971 1067303199 /nfs/dbraw/zinc/30/31/99/1067303199.db2.gz GBLDHGUMHTWALG-DHIUTWEWSA-N 0 3 457.615 4.731 20 0 JJADHN COCc1ccccc1CNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001459392049 1067311427 /nfs/dbraw/zinc/31/14/27/1067311427.db2.gz LBRVZVJNASGKDB-JXALWOEJSA-N 0 3 452.595 4.505 20 0 JJADHN CN(CCN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1)Cc1ccccc1 ZINC001459526193 1067344492 /nfs/dbraw/zinc/34/44/92/1067344492.db2.gz XVRQQECLKLELCU-NRFANRHFSA-N 0 3 455.400 4.692 20 0 JJADHN O=C(CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535297 1067346966 /nfs/dbraw/zinc/34/69/66/1067346966.db2.gz ASDNCBONUCFXNE-HNNXBMFYSA-N 0 3 451.311 4.651 20 0 JJADHN O=C(CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc(Br)cc1F ZINC001459535302 1067347297 /nfs/dbraw/zinc/34/72/97/1067347297.db2.gz ASDNCBONUCFXNE-OAHLLOKOSA-N 0 3 451.311 4.651 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001546110562 1067366316 /nfs/dbraw/zinc/36/63/16/1067366316.db2.gz DNZAXDHZIHKFMG-HSZRJFAPSA-N 0 3 450.606 4.722 20 0 JJADHN Cc1ccc(CCC2CCN(C(=O)CN3CCN(C4CCC(C(C)C)CC4)CC3)CC2)cc1 ZINC001459621219 1067366439 /nfs/dbraw/zinc/36/64/39/1067366439.db2.gz NWKFQOLXTPQIIA-UHFFFAOYSA-N 0 3 453.715 4.999 20 0 JJADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC001459668484 1067377406 /nfs/dbraw/zinc/37/74/06/1067377406.db2.gz HIEAUNUXGBUZQT-BGWNEDDSSA-N 0 3 454.611 4.558 20 0 JJADHN COc1ccc(NC(=O)C2(NCc3cccc(OCC(F)(F)F)c3)CCCC2)cc1OC ZINC001459706097 1067389443 /nfs/dbraw/zinc/38/94/43/1067389443.db2.gz HRYQUGDKQAFBHO-UHFFFAOYSA-N 0 3 452.473 4.686 20 0 JJADHN CC(C)(C)OC(=O)NCCCOC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC001459746782 1067404502 /nfs/dbraw/zinc/40/45/02/1067404502.db2.gz ISZFNXFQFPGXAM-UHFFFAOYSA-N 0 3 455.599 4.556 20 0 JJADHN CCCCc1ccc([C@H](NCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C(C)C)cc1 ZINC001459783671 1067420439 /nfs/dbraw/zinc/42/04/39/1067420439.db2.gz FALKWBSLEGBOTM-WXVAWEFUSA-N 0 3 455.687 4.813 20 0 JJADHN COc1ccc(-c2nc(NC(=O)CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818442 1067437202 /nfs/dbraw/zinc/43/72/02/1067437202.db2.gz RTJGWFYMHSAPCO-AVRDEDQJSA-N 0 3 451.592 4.823 20 0 JJADHN COc1ccc(NC(=O)CN(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831387 1067444292 /nfs/dbraw/zinc/44/42/92/1067444292.db2.gz CRRDNYPFJXCVGQ-GCJKJVERSA-N 0 3 456.583 4.740 20 0 JJADHN COc1ccc(NC(=O)CN(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC001459831396 1067444339 /nfs/dbraw/zinc/44/43/39/1067444339.db2.gz CRRDNYPFJXCVGQ-XMSQKQJNSA-N 0 3 456.583 4.740 20 0 JJADHN C[C@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1-c1ccc(Cl)cc1 ZINC001459845133 1067451177 /nfs/dbraw/zinc/45/11/77/1067451177.db2.gz QWJSVSUXJLWXMS-AWEZNQCLSA-N 0 3 453.995 4.945 20 0 JJADHN C[C@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850118 1067455192 /nfs/dbraw/zinc/45/51/92/1067455192.db2.gz ZTPNSZYRONBTRT-HRAATJIYSA-N 0 3 451.945 4.545 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1nc2c(cccc2Br)s1 ZINC001459879003 1067470814 /nfs/dbraw/zinc/47/08/14/1067470814.db2.gz FPPCBFFZLQYYEO-UHFFFAOYSA-N 0 3 459.413 4.600 20 0 JJADHN CC(C)[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC001460008060 1067525287 /nfs/dbraw/zinc/52/52/87/1067525287.db2.gz SLGXVEDYOUBOBY-SANMLTNESA-N 0 3 455.687 4.912 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042105 1067536945 /nfs/dbraw/zinc/53/69/45/1067536945.db2.gz RDYPNKHCKMNTLC-CDIGIKMISA-N 0 3 453.652 4.964 20 0 JJADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063175 1067542968 /nfs/dbraw/zinc/54/29/68/1067542968.db2.gz SGHWDYRFGBENJU-RNHFSVANSA-N 0 3 451.611 4.840 20 0 JJADHN Cc1cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(C)cc1I ZINC001460066066 1067544068 /nfs/dbraw/zinc/54/40/68/1067544068.db2.gz RAIKBFLBDSZPOZ-FUHWJXTLSA-N 0 3 453.389 4.909 20 0 JJADHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001460072666 1067546490 /nfs/dbraw/zinc/54/64/90/1067546490.db2.gz CCDYQBWTSOUUQI-HSZRJFAPSA-N 0 3 453.970 4.716 20 0 JJADHN C[C@]1(c2ccccc2)CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098636 1067554934 /nfs/dbraw/zinc/55/49/34/1067554934.db2.gz JHQUTUIHLANSRZ-QHCPKHFHSA-N 0 3 457.500 4.668 20 0 JJADHN Cc1ccc2nc(-c3ccc(NC(=O)CN(CCN(C)C)Cc4ccccn4)cc3)sc2c1 ZINC001460157281 1067566866 /nfs/dbraw/zinc/56/68/66/1067566866.db2.gz KBKZMWOAQYSJKC-UHFFFAOYSA-N 0 3 459.619 4.669 20 0 JJADHN OC[C@]1(Cc2ccccc2)CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178373 1067571821 /nfs/dbraw/zinc/57/18/21/1067571821.db2.gz DMKGRJWRIHTIJU-DEOSSOPVSA-N 0 3 452.396 4.723 20 0 JJADHN OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC001460178379 1067571861 /nfs/dbraw/zinc/57/18/61/1067571861.db2.gz DMKGRJWRIHTIJU-XMMPIXPASA-N 0 3 452.396 4.723 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238959 1067588330 /nfs/dbraw/zinc/58/83/30/1067588330.db2.gz JNSLCIYSSVKORY-REWPJTCUSA-N 0 3 459.562 4.765 20 0 JJADHN CSc1ccccc1OC[C@H](O)CN(Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC001460239908 1067588564 /nfs/dbraw/zinc/58/85/64/1067588564.db2.gz HQBMOVGSNUDFEB-HSZRJFAPSA-N 0 3 456.652 4.685 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1(C)C ZINC001460240014 1067588700 /nfs/dbraw/zinc/58/87/00/1067588700.db2.gz MLYUPXCTTUUXMU-AWEZNQCLSA-N 0 3 450.794 4.963 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@@H](C)C1(OC)CCC1 ZINC001460252719 1067591994 /nfs/dbraw/zinc/59/19/94/1067591994.db2.gz TWPBCMTZBYHPLX-AWEZNQCLSA-N 0 3 450.988 4.731 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317539 1067606400 /nfs/dbraw/zinc/60/64/00/1067606400.db2.gz LQGMPGSYHFWYAO-CZAAIQMYSA-N 0 3 456.986 4.785 20 0 JJADHN C[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325018 1067608516 /nfs/dbraw/zinc/60/85/16/1067608516.db2.gz FOLIYTIPTJAPHK-TZYHBYERSA-N 0 3 451.611 4.886 20 0 JJADHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338343 1067611403 /nfs/dbraw/zinc/61/14/03/1067611403.db2.gz MGJAYJKLFPHYRH-MGPUTAFESA-N 0 3 451.430 4.926 20 0 JJADHN COC(=O)c1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(C)s1 ZINC001460390252 1067624447 /nfs/dbraw/zinc/62/44/47/1067624447.db2.gz MOFMIHSCLQLWQA-WOJBJXKFSA-N 0 3 462.587 4.865 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C)C(=O)Nc2ccccc2)cc1F ZINC001460393566 1067625303 /nfs/dbraw/zinc/62/53/03/1067625303.db2.gz QWUQVUCRFOLNQJ-XJABCFGWSA-N 0 3 471.573 4.544 20 0 JJADHN O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC001460411601 1067629622 /nfs/dbraw/zinc/62/96/22/1067629622.db2.gz RDPQCJMYNVKJGJ-AREMUKBSSA-N 0 3 459.005 4.789 20 0 JJADHN C[C@H](NC(=O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478673 1067641721 /nfs/dbraw/zinc/64/17/21/1067641721.db2.gz BJVBGRDQYOVQGG-KBXCAEBGSA-N 0 3 456.414 4.692 20 0 JJADHN CC[C@](C)(NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 ZINC001460598586 1067666044 /nfs/dbraw/zinc/66/60/44/1067666044.db2.gz NQNCSLKBKAKOFN-QFIPXVFZSA-N 0 3 453.480 4.535 20 0 JJADHN O=C(CCN1CCC(NC(=O)OCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC001460655113 1067689277 /nfs/dbraw/zinc/68/92/77/1067689277.db2.gz HTDHODMJIATUTK-UHFFFAOYSA-N 0 3 450.366 4.713 20 0 JJADHN Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654865 1067689304 /nfs/dbraw/zinc/68/93/04/1067689304.db2.gz GYKMFBWMVDVSQL-DLBZAZTESA-N 0 3 455.546 4.979 20 0 JJADHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001460773074 1067720551 /nfs/dbraw/zinc/72/05/51/1067720551.db2.gz RZKMIELRUCHLAL-UHFFFAOYSA-N 0 3 453.299 4.873 20 0 JJADHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC001460773834 1067721119 /nfs/dbraw/zinc/72/11/19/1067721119.db2.gz VMYWNJZJQIPXAD-UHFFFAOYSA-N 0 3 450.539 4.808 20 0 JJADHN Cc1ccc(CN(C(=O)CN2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C2CC2)cc1 ZINC001460778269 1067721603 /nfs/dbraw/zinc/72/16/03/1067721603.db2.gz NYGCPOMJNXSUEA-HHHXNRCGSA-N 0 3 455.643 4.599 20 0 JJADHN O=[S@](CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC001460782757 1067722471 /nfs/dbraw/zinc/72/24/71/1067722471.db2.gz YWYRXTHZPXICCN-PCNYRWPCSA-N 0 3 465.368 4.754 20 0 JJADHN Cc1nc(C2CCN([C@@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH]c1C ZINC001460784561 1067722960 /nfs/dbraw/zinc/72/29/60/1067722960.db2.gz FXVSMPHVAFXQLU-KRWDZBQOSA-N 0 3 451.596 4.547 20 0 JJADHN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](CC)c1cccc2ccccc21 ZINC001460792005 1067724028 /nfs/dbraw/zinc/72/40/28/1067724028.db2.gz HZRBYJCZFDOQKP-DEOSSOPVSA-N 0 3 456.546 4.882 20 0 JJADHN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)CCS1 ZINC001546119932 1067743035 /nfs/dbraw/zinc/74/30/35/1067743035.db2.gz VOIPMMDWTABYMX-QHCPKHFHSA-N 0 3 464.683 4.679 20 0 JJADHN CCC1(CC)CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)CCS1 ZINC001546119931 1067743130 /nfs/dbraw/zinc/74/31/30/1067743130.db2.gz VOIPMMDWTABYMX-HSZRJFAPSA-N 0 3 464.683 4.679 20 0 JJADHN CCC1(CC)CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCS1 ZINC001546119942 1067743468 /nfs/dbraw/zinc/74/34/68/1067743468.db2.gz VYUCPBJWNFVYRI-DEOSSOPVSA-N 0 3 494.709 4.687 20 0 JJADHN CCN(CC)C(=O)c1ccc(CNCc2cc(Br)cc(Br)c2)cc1 ZINC001461019569 1067763040 /nfs/dbraw/zinc/76/30/40/1067763040.db2.gz PAGFUULYIDOGSS-UHFFFAOYSA-N 0 3 454.206 4.983 20 0 JJADHN CC(C)N(C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001461116398 1067784450 /nfs/dbraw/zinc/78/44/50/1067784450.db2.gz RWXQSNFLPJFTJR-HXUWFJFHSA-N 0 3 458.484 4.881 20 0 JJADHN C[C@@H](NC/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151356 1067789926 /nfs/dbraw/zinc/78/99/26/1067789926.db2.gz UQUWHAFVPWEJNO-ZRKSWWEUSA-N 0 3 450.604 4.880 20 0 JJADHN C[C@H](NC/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151343 1067789988 /nfs/dbraw/zinc/78/99/88/1067789988.db2.gz UQUWHAFVPWEJNO-MAIVGLDJSA-N 0 3 450.604 4.880 20 0 JJADHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2cc3cccc(C)c3nc2Cl)s1 ZINC001461162502 1067791315 /nfs/dbraw/zinc/79/13/15/1067791315.db2.gz TUDNDDRIWYFVJI-UHFFFAOYSA-N 0 3 452.045 4.621 20 0 JJADHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001461177010 1067793143 /nfs/dbraw/zinc/79/31/43/1067793143.db2.gz GETHVIGNPPXCPU-GOSISDBHSA-N 0 3 457.594 4.560 20 0 JJADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223365 1067802984 /nfs/dbraw/zinc/80/29/84/1067802984.db2.gz ANRVIPKYIPNHAZ-SJLPKXTDSA-N 0 3 455.407 4.691 20 0 JJADHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223363 1067803074 /nfs/dbraw/zinc/80/30/74/1067803074.db2.gz ANRVIPKYIPNHAZ-AEFFLSMTSA-N 0 3 455.407 4.691 20 0 JJADHN COc1cc(CN[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237889 1067807085 /nfs/dbraw/zinc/80/70/85/1067807085.db2.gz FSJYGNWVLYCLSD-WLRWDXFRSA-N 0 3 450.309 4.866 20 0 JJADHN COc1cc(CN[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237884 1067807104 /nfs/dbraw/zinc/80/71/04/1067807104.db2.gz FSJYGNWVLYCLSD-JEOXALJRSA-N 0 3 450.309 4.866 20 0 JJADHN CN(C)c1ccc(N2CCC(NCc3cc(OC(F)F)ccc3Br)CC2)cc1 ZINC001461242771 1067808119 /nfs/dbraw/zinc/80/81/19/1067808119.db2.gz RFRQJVSDFJPYBU-UHFFFAOYSA-N 0 3 454.359 4.875 20 0 JJADHN CC[C@H](NCc1cn(-c2ccccc2Br)nc1C)[C@H](O)c1c(F)cccc1F ZINC001461258093 1067812443 /nfs/dbraw/zinc/81/24/43/1067812443.db2.gz PLBSMQUBWXDDJA-RXVVDRJESA-N 0 3 450.327 4.823 20 0 JJADHN CC(C)(C)C(=O)NCCNCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC001461269607 1067815023 /nfs/dbraw/zinc/81/50/23/1067815023.db2.gz WGKXVGUGYVVTMI-UHFFFAOYSA-N 0 3 455.400 4.554 20 0 JJADHN Cn1cc(CNCC2(c3ccc(C(C)(C)C)cc3)CCCC2)c(I)n1 ZINC001461373127 1067840721 /nfs/dbraw/zinc/84/07/21/1067840721.db2.gz DDNCKLBXRKNHMZ-UHFFFAOYSA-N 0 3 451.396 4.924 20 0 JJADHN COc1ccc([C@H](OC)[C@H](C)NCc2cc(Br)cc(Br)c2N)cc1 ZINC001461379959 1067842268 /nfs/dbraw/zinc/84/22/68/1067842268.db2.gz KWFNHNOIMPMKIS-BBATYDOGSA-N 0 3 458.194 4.668 20 0 JJADHN COc1ccc([C@@H](OC)[C@@H](C)NCc2cc(Br)cc(Br)c2N)cc1 ZINC001461379963 1067842286 /nfs/dbraw/zinc/84/22/86/1067842286.db2.gz KWFNHNOIMPMKIS-ZMZPIMSZSA-N 0 3 458.194 4.668 20 0 JJADHN COc1cc(Br)c(CNCC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC001461380348 1067842455 /nfs/dbraw/zinc/84/24/55/1067842455.db2.gz RWJSXRZJFACKCS-UHFFFAOYSA-N 0 3 457.409 4.593 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@H](O)c1ccc(Cl)c(F)c1 ZINC001461403019 1067847186 /nfs/dbraw/zinc/84/71/86/1067847186.db2.gz PWFCBHKNSBIHLV-FQEVSTJZSA-N 0 3 452.755 4.867 20 0 JJADHN CCOc1c(Br)cc(Br)cc1CN[C@@H](CO)Cc1ccc(C)cc1 ZINC001461435041 1067855958 /nfs/dbraw/zinc/85/59/58/1067855958.db2.gz VMSCUYAUAPASGA-QGZVFWFLSA-N 0 3 457.206 4.612 20 0 JJADHN CN(C)C(=O)COc1ccccc1CN[C@@H]1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001461451734 1067859993 /nfs/dbraw/zinc/85/99/93/1067859993.db2.gz AXQIOWHOLCSYBC-JOCHJYFZSA-N 0 3 453.583 4.668 20 0 JJADHN C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464251 1067863234 /nfs/dbraw/zinc/86/32/34/1067863234.db2.gz PIHIFLJPHQEMMH-GPZRYRNASA-N 0 3 451.311 4.849 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNCCOc3ccc(Cl)c(F)c3)o2)C1 ZINC001461502877 1067877766 /nfs/dbraw/zinc/87/77/66/1067877766.db2.gz VNHFRBPWLPEYAS-MRXNPFEDSA-N 0 3 452.954 4.799 20 0 JJADHN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529015 1067881783 /nfs/dbraw/zinc/88/17/83/1067881783.db2.gz DLFCVSWRZBZRMM-FDDCHVKYSA-N 0 3 455.574 4.692 20 0 JJADHN COC(=O)c1cc(CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)n2c1CCCC2 ZINC001461539745 1067884222 /nfs/dbraw/zinc/88/42/22/1067884222.db2.gz NCHJLXROUIXZMZ-QFIPXVFZSA-N 0 3 455.599 4.747 20 0 JJADHN CCOc1cc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1OCC(F)(F)F ZINC001461538763 1067884432 /nfs/dbraw/zinc/88/44/32/1067884432.db2.gz RIMLOINGUUSSIL-INIZCTEOSA-N 0 3 451.489 4.797 20 0 JJADHN CN(C(=O)c1ccc(NCc2c(Cl)n(C)nc2-c2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC001461567071 1067890276 /nfs/dbraw/zinc/89/02/76/1067890276.db2.gz YYDNPSVYEXFZOW-NRFANRHFSA-N 0 3 452.002 4.519 20 0 JJADHN Oc1ccc(Br)c(CNC2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC001461582910 1067893843 /nfs/dbraw/zinc/89/38/43/1067893843.db2.gz QATHCOBHDIZJFG-UHFFFAOYSA-N 0 3 454.206 4.671 20 0 JJADHN CCOc1c(Br)cc(CN[C@@H]2C[C@@H](OCC)[C@H]2SC)cc1Br ZINC001461596744 1067897351 /nfs/dbraw/zinc/89/73/51/1067897351.db2.gz WZIJLQZVBUFPFV-FMKPAKJESA-N 0 3 453.240 4.609 20 0 JJADHN O=[S@@](CCNCc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)CC(F)(F)F ZINC001461634201 1067906573 /nfs/dbraw/zinc/90/65/73/1067906573.db2.gz ZCWTUSQUXDZZMU-PMERELPUSA-N 0 3 455.933 4.652 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461691724 1067919070 /nfs/dbraw/zinc/91/90/70/1067919070.db2.gz ULNULJQFGASLQC-MAEOIBBWSA-N 0 3 453.414 4.940 20 0 JJADHN Cc1ccc(CN2CCO[C@@H](CNCc3cccc(OCc4ccc(F)cc4F)c3)C2)cc1 ZINC001461693810 1067919563 /nfs/dbraw/zinc/91/95/63/1067919563.db2.gz GKACBNBYPQFZIJ-SANMLTNESA-N 0 3 452.545 4.843 20 0 JJADHN COC(=O)c1cc(CNCc2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)n(C)c1C ZINC001461709349 1067922800 /nfs/dbraw/zinc/92/28/00/1067922800.db2.gz XPMLQSBRJPGDNB-UHFFFAOYSA-N 0 3 456.590 4.939 20 0 JJADHN COc1cc(CNCc2ccc3oc(=O)[nH]c3c2)ccc1OCCOc1ccccc1Cl ZINC001461737168 1067927844 /nfs/dbraw/zinc/92/78/44/1067927844.db2.gz UNTQRCGIFWSZIJ-UHFFFAOYSA-N 0 3 454.910 4.943 20 0 JJADHN CSc1ccc(Br)cc1CCNCc1cn2ccc(Br)cc2n1 ZINC001461785441 1067936905 /nfs/dbraw/zinc/93/69/05/1067936905.db2.gz HCHMWDNPIAFWEE-UHFFFAOYSA-N 0 3 455.219 4.914 20 0 JJADHN CC1(C)CCC[C@@H](CNCc2cc(I)c(Br)cc2F)O1 ZINC001461792735 1067937931 /nfs/dbraw/zinc/93/79/31/1067937931.db2.gz GZAXHZZIRBJBLG-NSHDSACASA-N 0 3 456.137 4.630 20 0 JJADHN Cc1cccc(NC[C@H]2CCCN2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863002 1067949725 /nfs/dbraw/zinc/94/97/25/1067949725.db2.gz AFAIKXWHMPKGLU-LEWJYISDSA-N 0 3 454.615 4.618 20 0 JJADHN Cc1cccc(NC[C@@H]2CCCN2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)n1 ZINC001461863004 1067949777 /nfs/dbraw/zinc/94/97/77/1067949777.db2.gz AFAIKXWHMPKGLU-RTWAWAEBSA-N 0 3 454.615 4.618 20 0 JJADHN Cc1c(Br)cc(CN(C)C[C@@H](O)COCc2ccccc2)cc1Br ZINC001461906820 1067958843 /nfs/dbraw/zinc/95/88/43/1067958843.db2.gz LVDFGCPIZDRWFH-QGZVFWFLSA-N 0 3 457.206 4.530 20 0 JJADHN CC(=O)N(c1nc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001462045772 1067988862 /nfs/dbraw/zinc/98/88/62/1067988862.db2.gz FICHXWBQXNDRFA-AOMKIAJQSA-N 0 3 456.562 4.716 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](CC(N)=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC001462064671 1067994509 /nfs/dbraw/zinc/99/45/09/1067994509.db2.gz QUCAOZPQCALUSP-NYVOZVTQSA-N 0 3 458.002 4.987 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cnc(OC(C)C)c(Cl)c2)cc1 ZINC001462109400 1068006077 /nfs/dbraw/zinc/00/60/77/1068006077.db2.gz QKESCQDIJPDVSN-UKILVPOCSA-N 0 3 480.008 4.929 20 0 JJADHN Cn1cc([C@H](N[C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c2ccc(F)cc2)cn1 ZINC001462119326 1068008302 /nfs/dbraw/zinc/00/83/02/1068008302.db2.gz SBWDYPRTSPTSNP-YTFSRNRJSA-N 0 3 457.391 4.836 20 0 JJADHN CCN1CCN(c2cccc(N[C@@H]3CCN(C)[C@@H](c4ccc(Br)cc4)C3)c2)CC1 ZINC001462122790 1068010105 /nfs/dbraw/zinc/01/01/05/1068010105.db2.gz AQVDTXFWFHHJON-ISKFKSNPSA-N 0 3 457.460 4.838 20 0 JJADHN C[C@H](COc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153823 1068017857 /nfs/dbraw/zinc/01/78/57/1068017857.db2.gz DJJOTCSNXYCLIE-XIKOKIGWSA-N 0 3 458.183 4.918 20 0 JJADHN Cc1nn(-c2cccc(Br)c2)cc1CN(C[C@H](O)COc1ccccc1)C(C)C ZINC001462154587 1068018147 /nfs/dbraw/zinc/01/81/47/1068018147.db2.gz IZXZIADUXQMOEH-QFIPXVFZSA-N 0 3 458.400 4.594 20 0 JJADHN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001462166019 1068020672 /nfs/dbraw/zinc/02/06/72/1068020672.db2.gz YWOBWDLNILHOOK-QGZVFWFLSA-N 0 3 456.384 4.784 20 0 JJADHN O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001462183875 1068024391 /nfs/dbraw/zinc/02/43/91/1068024391.db2.gz DMRNQDSOICSVLO-RTBURBONSA-N 0 3 459.493 4.742 20 0 JJADHN COc1c(C)cnc(CN2CCC(N(C)Cc3cccc(F)c3Br)CC2)c1C ZINC001462198776 1068027313 /nfs/dbraw/zinc/02/73/13/1068027313.db2.gz FUCMGESUDNTGNC-UHFFFAOYSA-N 0 3 450.396 4.705 20 0 JJADHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccc(F)cc2Br)c(Br)c1 ZINC001462200955 1068027863 /nfs/dbraw/zinc/02/78/63/1068027863.db2.gz SFTVYUPGQXQBKW-NSHDSACASA-N 0 3 459.153 4.858 20 0 JJADHN CN1CCN(c2cccc(Cl)c2CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001462283439 1068043734 /nfs/dbraw/zinc/04/37/34/1068043734.db2.gz MHMXPEGTDHRQEA-UHFFFAOYSA-N 0 3 455.817 4.517 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380205 1068063259 /nfs/dbraw/zinc/06/32/59/1068063259.db2.gz GAVHWWDWTMXSKX-SLFFLAALSA-N 0 3 466.569 4.688 20 0 JJADHN C[C@@H]1CN(Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]1C(=O)OC(C)(C)C ZINC001462442324 1068075160 /nfs/dbraw/zinc/07/51/60/1068075160.db2.gz QROFWFJITDBHMD-APWZRJJASA-N 0 3 450.645 4.841 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3cccc(F)c3OCC(F)(F)F)C2)ccn1 ZINC001462460713 1068079240 /nfs/dbraw/zinc/07/92/40/1068079240.db2.gz ZHAFOBITZZTWHB-FQEVSTJZSA-N 0 3 455.496 4.655 20 0 JJADHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)o3)C2)[nH]n1 ZINC001462562012 1068098841 /nfs/dbraw/zinc/09/88/41/1068098841.db2.gz KNKGEPNGLSYYNB-IBGZPJMESA-N 0 3 457.619 4.563 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001462623230 1068115061 /nfs/dbraw/zinc/11/50/61/1068115061.db2.gz LDGIWHPFKSLQML-NVXWUHKLSA-N 0 3 463.420 4.536 20 0 JJADHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC001462732535 1068147266 /nfs/dbraw/zinc/14/72/66/1068147266.db2.gz MJPLBFXUCKHTFO-UHFFFAOYSA-N 0 3 451.441 4.596 20 0 JJADHN Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001462799902 1068171096 /nfs/dbraw/zinc/17/10/96/1068171096.db2.gz STJQCOGNKHNMPX-UHFFFAOYSA-N 0 3 456.011 4.785 20 0 JJADHN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001463226010 1068326975 /nfs/dbraw/zinc/32/69/75/1068326975.db2.gz QIARGQFRBWYLDD-OAQYLSRUSA-N 0 3 456.505 4.521 20 0 JJADHN CCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1C(C)C ZINC001463227127 1068327173 /nfs/dbraw/zinc/32/71/73/1068327173.db2.gz XRRZJVPEDJMEHZ-AREMUKBSSA-N 0 3 456.652 4.886 20 0 JJADHN CCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1C(C)C ZINC001463227128 1068327320 /nfs/dbraw/zinc/32/73/20/1068327320.db2.gz XRRZJVPEDJMEHZ-SANMLTNESA-N 0 3 456.652 4.886 20 0 JJADHN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC001463577298 1068453226 /nfs/dbraw/zinc/45/32/26/1068453226.db2.gz VNECGCJEVQDOPZ-YSIASYRMSA-N 0 3 451.677 4.967 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC001463623886 1068470768 /nfs/dbraw/zinc/47/07/68/1068470768.db2.gz IAENSALCANGTEJ-UHFFFAOYSA-N 0 3 459.537 4.853 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)[nH]c3C)cc2)CC1 ZINC001463715334 1068503329 /nfs/dbraw/zinc/50/33/29/1068503329.db2.gz XYURKMQRAXMGPR-UHFFFAOYSA-N 0 3 457.500 4.798 20 0 JJADHN O=C(N[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759246 1068514905 /nfs/dbraw/zinc/51/49/05/1068514905.db2.gz BZGADPMHSIDWAB-IZZNHLLZSA-N 0 3 457.574 4.607 20 0 JJADHN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)cc12 ZINC001463767805 1068517711 /nfs/dbraw/zinc/51/77/11/1068517711.db2.gz DHJZJVYACRGLMY-GOSISDBHSA-N 0 3 453.011 4.952 20 0 JJADHN O=S(=O)(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1cc(C(F)(F)F)ccc1F ZINC001463768579 1068518207 /nfs/dbraw/zinc/51/82/07/1068518207.db2.gz OZNKCHMWLOZIJI-YQQQUEKLSA-N 0 3 456.505 4.709 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001463917493 1068565389 /nfs/dbraw/zinc/56/53/89/1068565389.db2.gz PPKOYYUGQBYIHV-QHCPKHFHSA-N 0 3 455.599 4.784 20 0 JJADHN CC[C@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1)N1CCc2ccccc2C1 ZINC001464103364 1068616711 /nfs/dbraw/zinc/61/67/11/1068616711.db2.gz YIOOIWWBVOWOGW-DNQXCXABSA-N 0 3 451.611 4.514 20 0 JJADHN CC[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)N1CCc2ccccc2C1 ZINC001464103085 1068616750 /nfs/dbraw/zinc/61/67/50/1068616750.db2.gz XGKUSUIODUXEIM-ZEQRLZLVSA-N 0 3 457.659 4.803 20 0 JJADHN CCN(C)[C@H](C(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131385 1068627690 /nfs/dbraw/zinc/62/76/90/1068627690.db2.gz BYHKILWHEFWYIX-NDEPHWFRSA-N 0 3 456.634 4.949 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2)CC1 ZINC001464160019 1068638295 /nfs/dbraw/zinc/63/82/95/1068638295.db2.gz OOBMIUGXIVQFCC-UHFFFAOYSA-N 0 3 455.027 4.531 20 0 JJADHN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163116 1068639082 /nfs/dbraw/zinc/63/90/82/1068639082.db2.gz IKLAXKANTKDDHL-LJQANCHMSA-N 0 3 452.542 4.594 20 0 JJADHN CC(C)[C@H](C(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)N(C)C ZINC001464205852 1068656174 /nfs/dbraw/zinc/65/61/74/1068656174.db2.gz IPRFQMQESLNYFC-TZIWHRDSSA-N 0 3 454.467 4.857 20 0 JJADHN COc1ccc2cc(/C=C/C(=O)NCCCCN3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC001464280234 1068688511 /nfs/dbraw/zinc/68/85/11/1068688511.db2.gz HIWKERQEBGZNME-GXDHUFHOSA-N 0 3 457.618 4.576 20 0 JJADHN COc1ccc2cc(/C=C\C(=O)NCCCCN3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC001464280238 1068688540 /nfs/dbraw/zinc/68/85/40/1068688540.db2.gz HIWKERQEBGZNME-UVTDQMKNSA-N 0 3 457.618 4.576 20 0 JJADHN Cc1cccc(COc2cccc(C(=O)NCCCCN3CCN(c4ccccc4)CC3)c2)c1 ZINC001464283630 1068690773 /nfs/dbraw/zinc/69/07/73/1068690773.db2.gz YKEQJDZDGGFKAQ-UHFFFAOYSA-N 0 3 457.618 4.906 20 0 JJADHN CO[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395038 1068730236 /nfs/dbraw/zinc/73/02/36/1068730236.db2.gz AQQPKJVCNQPWCW-FXAWDEMLSA-N 0 3 451.430 4.788 20 0 JJADHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464472771 1068759663 /nfs/dbraw/zinc/75/96/63/1068759663.db2.gz OLUJNFLBVKUYSP-ICSRJNTNSA-N 0 3 455.027 4.878 20 0 JJADHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(OC(F)(F)F)cc1Br ZINC001464476115 1068760185 /nfs/dbraw/zinc/76/01/85/1068760185.db2.gz JPJWERQAHGTEOD-UHFFFAOYSA-N 0 3 451.327 4.932 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1 ZINC001464503422 1068768106 /nfs/dbraw/zinc/76/81/06/1068768106.db2.gz ZQPPGYHUENATCE-IBGZPJMESA-N 0 3 452.521 4.878 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)N2CCCC2)cc1 ZINC001464598780 1068794870 /nfs/dbraw/zinc/79/48/70/1068794870.db2.gz UFIMEQHIEUKGGE-FXAWDEMLSA-N 0 3 458.628 4.604 20 0 JJADHN CCC1(C)CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 ZINC001464617863 1068801046 /nfs/dbraw/zinc/80/10/46/1068801046.db2.gz KGYQOPSOXRDQRX-UHFFFAOYSA-N 0 3 457.659 4.975 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464637904 1068806735 /nfs/dbraw/zinc/80/67/35/1068806735.db2.gz GPNLCCUOKSCJQE-NRFANRHFSA-N 0 3 458.002 4.769 20 0 JJADHN CSc1ncc(Cl)c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001464640463 1068808090 /nfs/dbraw/zinc/80/80/90/1068808090.db2.gz YJYWQSRVGZDOHJ-UHFFFAOYSA-N 0 3 459.830 4.897 20 0 JJADHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cc1Br ZINC001464642114 1068809415 /nfs/dbraw/zinc/80/94/15/1068809415.db2.gz OOJWNRIHMJGHNI-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN CN(C(=O)c1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1)c1ccccc1 ZINC001464661946 1068815985 /nfs/dbraw/zinc/81/59/85/1068815985.db2.gz BDMZWASUMLOUND-UHFFFAOYSA-N 0 3 455.602 4.744 20 0 JJADHN CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464674365 1068820396 /nfs/dbraw/zinc/82/03/96/1068820396.db2.gz KDRLMPFHDMXRDI-IBGZPJMESA-N 0 3 455.400 4.842 20 0 JJADHN CCCN(C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464675490 1068821201 /nfs/dbraw/zinc/82/12/01/1068821201.db2.gz NVJGDHLZSGNTCA-DNQXCXABSA-N 0 3 454.014 4.596 20 0 JJADHN CCCN(C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464679139 1068822087 /nfs/dbraw/zinc/82/20/87/1068822087.db2.gz YRPHDBBWYIMGAM-YFVAEKQCSA-N 0 3 463.548 4.707 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)c21 ZINC001164405596 718848120 /nfs/dbraw/zinc/84/81/20/718848120.db2.gz LVJOSLVHARZBQK-YADHBBJMSA-N 0 3 499.998 4.813 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)CC2)CC1 ZINC001164618111 719036094 /nfs/dbraw/zinc/03/60/94/719036094.db2.gz SFPPVCOUMFSKPZ-UHFFFAOYSA-N 0 3 492.998 4.894 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164627373 719095745 /nfs/dbraw/zinc/09/57/45/719095745.db2.gz JYMFQSFXLLOTDE-UXHICEINSA-N 0 3 455.940 4.838 20 0 JJADHN Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730997 720385548 /nfs/dbraw/zinc/38/55/48/720385548.db2.gz XSHDXGOUZCBFCT-PKTZIBPZSA-N 0 3 489.574 4.909 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732423 720439387 /nfs/dbraw/zinc/43/93/87/720439387.db2.gz NHMOEJSFVWQWNN-FCHUYYIVSA-N 0 3 462.667 4.542 20 0 JJADHN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164730959 720440339 /nfs/dbraw/zinc/44/03/39/720440339.db2.gz KLGSXVRMXCUUMW-FCHUYYIVSA-N 0 3 499.640 4.625 20 0 JJADHN Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164736619 720589597 /nfs/dbraw/zinc/58/95/97/720589597.db2.gz PCTYSCGEOFIXEB-UHFFFAOYSA-N 0 3 464.617 4.974 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164843438 720740206 /nfs/dbraw/zinc/74/02/06/720740206.db2.gz JTWXXNVTCRUWKM-UHFFFAOYSA-N 0 3 472.971 4.899 20 0 JJADHN Cc1sc2nc(CN3CCCC3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164862712 721004055 /nfs/dbraw/zinc/00/40/55/721004055.db2.gz UBBLJENOXBJADP-SFHVURJKSA-N 0 3 467.687 4.522 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772192 721101613 /nfs/dbraw/zinc/10/16/13/721101613.db2.gz USJGUILZEMCVQF-VQTJNVASSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763385 721154698 /nfs/dbraw/zinc/15/46/98/721154698.db2.gz FJEJLZFHFIZNQR-WOJBJXKFSA-N 0 3 476.987 4.781 20 0 JJADHN Cc1ccc(-c2nnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c3ccccc32)cc1C ZINC001164766037 721196462 /nfs/dbraw/zinc/19/64/62/721196462.db2.gz IUVFLOQUEVWQFR-DNQXCXABSA-N 0 3 452.606 4.605 20 0 JJADHN Cc1ccc(-c2nnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c3ccccc32)cc1C ZINC001164766041 721197787 /nfs/dbraw/zinc/19/77/87/721197787.db2.gz IUVFLOQUEVWQFR-RPWUZVMVSA-N 0 3 452.606 4.605 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761323 721217053 /nfs/dbraw/zinc/21/70/53/721217053.db2.gz AMAYJGBDJOTCEO-CLJLJLNGSA-N 0 3 450.590 4.502 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164765112 721219334 /nfs/dbraw/zinc/21/93/34/721219334.db2.gz HUHYXMAIBFBGPX-UYAOXDASSA-N 0 3 490.702 4.990 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164766856 721227113 /nfs/dbraw/zinc/22/71/13/721227113.db2.gz VPEPKSNDDSIHHL-IZZNHLLZSA-N 0 3 456.638 4.883 20 0 JJADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CCN3C2)c1 ZINC001164911937 721547992 /nfs/dbraw/zinc/54/79/92/721547992.db2.gz XORSCQCUODHQEA-AZGAKELHSA-N 0 3 475.564 4.665 20 0 JJADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CCN3C2)c1 ZINC001164906586 721553833 /nfs/dbraw/zinc/55/38/33/721553833.db2.gz KDFXYNJRRHPSJX-MJGOQNOKSA-N 0 3 458.896 4.542 20 0 JJADHN CCOc1cc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2cc1OCC ZINC001164908134 721705781 /nfs/dbraw/zinc/70/57/81/721705781.db2.gz VWQXHTYAVYYGKS-VWLOTQADSA-N 0 3 483.563 4.560 20 0 JJADHN FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908058 721709260 /nfs/dbraw/zinc/70/92/60/721709260.db2.gz UXQMTMKTVCGFLX-AREMUKBSSA-N 0 3 474.559 4.612 20 0 JJADHN FC1(F)CCN(c2ncnc3c2ccn3Cc2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908061 721709926 /nfs/dbraw/zinc/70/99/26/721709926.db2.gz UXQMTMKTVCGFLX-SANMLTNESA-N 0 3 474.559 4.612 20 0 JJADHN FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907284 721717586 /nfs/dbraw/zinc/71/75/86/721717586.db2.gz QKWOMYXQSVBGRW-RUZDIDTESA-N 0 3 450.533 4.793 20 0 JJADHN COC(=O)c1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2C)cc1 ZINC001164904238 721722182 /nfs/dbraw/zinc/72/21/82/721722182.db2.gz AUWXUEUYWZMUQX-HHHXNRCGSA-N 0 3 492.570 4.976 20 0 JJADHN CCc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907761 721722978 /nfs/dbraw/zinc/72/29/78/721722978.db2.gz TZSCZLNJFVRIPO-XMMPIXPASA-N 0 3 469.605 4.875 20 0 JJADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164962205 722059261 /nfs/dbraw/zinc/05/92/61/722059261.db2.gz PSLZWOHQZWNDQP-UHFFFAOYSA-N 0 3 483.975 4.575 20 0 JJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985814 722108033 /nfs/dbraw/zinc/10/80/33/722108033.db2.gz WYSXCJSIYBEZLO-RXFWQSSRSA-N 0 3 487.554 4.697 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982862 722108413 /nfs/dbraw/zinc/10/84/13/722108413.db2.gz PNKVMCYRRVTBTD-CUNXSJBXSA-N 0 3 499.590 4.567 20 0 JJADHN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973358 722110097 /nfs/dbraw/zinc/11/00/97/722110097.db2.gz HDGWZCVVLMOHAI-OXQOHEQNSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973188 722123635 /nfs/dbraw/zinc/12/36/35/722123635.db2.gz GWCOSTLKSQNVOC-JXFKEZNVSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975190 722130921 /nfs/dbraw/zinc/13/09/21/722130921.db2.gz FKCAVJHFHPOTAZ-DENIHFKCSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984227 722133096 /nfs/dbraw/zinc/13/30/96/722133096.db2.gz WOSZHYHGVHAJTD-AVRDEDQJSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973419 722137613 /nfs/dbraw/zinc/13/76/13/722137613.db2.gz CDQAKWSADZUXQM-RHSMWYFYSA-N 0 3 477.770 4.709 20 0 JJADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973425 722138017 /nfs/dbraw/zinc/13/80/17/722138017.db2.gz CDQAKWSADZUXQM-YOEHRIQHSA-N 0 3 477.770 4.709 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164982791 722141746 /nfs/dbraw/zinc/14/17/46/722141746.db2.gz SRWHFFAWBRVICC-ATIYNZHBSA-N 0 3 469.564 4.558 20 0 JJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976028 722148722 /nfs/dbraw/zinc/14/87/22/722148722.db2.gz GLEVAGWYHYPRJR-DENIHFKCSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972461 722157985 /nfs/dbraw/zinc/15/79/85/722157985.db2.gz HXNYTNOBIHAFRX-QPPBQGQZSA-N 0 3 499.993 4.773 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972119 722159155 /nfs/dbraw/zinc/15/91/55/722159155.db2.gz FRXVGZYVRVOGBR-PGRDOPGGSA-N 0 3 474.939 4.662 20 0 JJADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971572 722159163 /nfs/dbraw/zinc/15/91/63/722159163.db2.gz BSTRDMCODGEIMK-WMZHIEFXSA-N 0 3 476.999 4.671 20 0 JJADHN CC(C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001359724714 1064272572 /nfs/dbraw/zinc/27/25/72/1064272572.db2.gz SQZUYVPRLDWITN-VXKWHMMOSA-N 0 3 453.656 4.604 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC001545880034 1064295604 /nfs/dbraw/zinc/29/56/04/1064295604.db2.gz NNENBAINZCPKLM-OAQYLSRUSA-N 0 3 453.583 4.705 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC001545880141 1064295818 /nfs/dbraw/zinc/29/58/18/1064295818.db2.gz RGYPCRYWPDMKMK-ICSRJNTNSA-N 0 3 452.624 4.576 20 0 JJADHN CC(C)[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CCN1CCCCC1 ZINC001359738159 1064301286 /nfs/dbraw/zinc/30/12/86/1064301286.db2.gz ONPIDOLSKZRWLM-OAQYLSRUSA-N 0 3 476.463 4.730 20 0 JJADHN CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001359738960 1064304661 /nfs/dbraw/zinc/30/46/61/1064304661.db2.gz HYXADLVKNCKPOK-LAUBAEHRSA-N 0 3 489.437 4.960 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001434880342 1064312382 /nfs/dbraw/zinc/31/23/82/1064312382.db2.gz CBBSMMPXFUXMRL-DENIHFKCSA-N 0 3 451.014 4.945 20 0 JJADHN Cc1nn(-c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2)c(C)c1Br ZINC001434916480 1064343328 /nfs/dbraw/zinc/34/33/28/1064343328.db2.gz WKMUQKOFHQRKCE-UHFFFAOYSA-N 0 3 459.432 4.590 20 0 JJADHN CN(C)CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC001434924871 1064353009 /nfs/dbraw/zinc/35/30/09/1064353009.db2.gz QGXYGXISLJTYTR-UHFFFAOYSA-N 0 3 457.603 4.621 20 0 JJADHN CC(C)[C@@H]1OCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359761422 1064371609 /nfs/dbraw/zinc/37/16/09/1064371609.db2.gz HFEUZBBQDXFXIS-UGKGYDQZSA-N 0 3 460.066 4.970 20 0 JJADHN CC(C)[C@@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359761420 1064371818 /nfs/dbraw/zinc/37/18/18/1064371818.db2.gz HFEUZBBQDXFXIS-KNQAVFIVSA-N 0 3 460.066 4.970 20 0 JJADHN Cc1cc(Br)ccc1CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001435063991 1064482566 /nfs/dbraw/zinc/48/25/66/1064482566.db2.gz NISRYWCEBJWWSQ-UHFFFAOYSA-N 0 3 457.334 4.909 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001435064047 1064483595 /nfs/dbraw/zinc/48/35/95/1064483595.db2.gz HTYKBJPJWOWOQX-UHFFFAOYSA-N 0 3 453.411 4.843 20 0 JJADHN Cc1cc(SCC(=O)N(CCN(C)C)Cc2ccccc2F)c(C)cc1Br ZINC001435064578 1064484348 /nfs/dbraw/zinc/48/43/48/1064484348.db2.gz NAZXHQUVWLXKRB-UHFFFAOYSA-N 0 3 453.421 4.888 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1(Cc2ccccc2Br)CC1 ZINC001435066889 1064487807 /nfs/dbraw/zinc/48/78/07/1064487807.db2.gz YZWSWSBXKFMONP-UHFFFAOYSA-N 0 3 451.355 4.640 20 0 JJADHN CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)c12 ZINC001435082129 1064503633 /nfs/dbraw/zinc/50/36/33/1064503633.db2.gz XGCNREYYURBZHE-UHFFFAOYSA-N 0 3 450.514 4.778 20 0 JJADHN CCS(=O)(=O)c1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(C)c2)c1 ZINC001435121655 1064528217 /nfs/dbraw/zinc/52/82/17/1064528217.db2.gz XWXUDQSALUYCHR-IZZNHLLZSA-N 0 3 462.615 4.643 20 0 JJADHN COCCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC001359846843 1064532869 /nfs/dbraw/zinc/53/28/69/1064532869.db2.gz BZYXBBCMHKNWEY-UHFFFAOYSA-N 0 3 458.908 4.588 20 0 JJADHN CCOC(=O)Nc1ccc(F)c(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001359847274 1064533416 /nfs/dbraw/zinc/53/34/16/1064533416.db2.gz LAZGLJDCZZVSEZ-UHFFFAOYSA-N 0 3 455.452 4.617 20 0 JJADHN O=C([C@@H]1COc2ccc(F)cc2C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001359847717 1064534426 /nfs/dbraw/zinc/53/44/26/1064534426.db2.gz UBZKUGNAVWKUHQ-SFHVURJKSA-N 0 3 451.369 4.808 20 0 JJADHN CCc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c2c(CC(C)(C)C)noc2n1 ZINC001359851537 1064538635 /nfs/dbraw/zinc/53/86/35/1064538635.db2.gz NAMJQFCOAHQOAT-UHFFFAOYSA-N 0 3 458.553 4.856 20 0 JJADHN COc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001359853633 1064541193 /nfs/dbraw/zinc/54/11/93/1064541193.db2.gz MAYOHJMLRMPNAT-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001359855789 1064543146 /nfs/dbraw/zinc/54/31/46/1064543146.db2.gz RTTHHMDHZXGNHG-HSZRJFAPSA-N 0 3 488.721 4.721 20 0 JJADHN Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)nnn1-c1cccc(Cl)c1 ZINC001359857605 1064544950 /nfs/dbraw/zinc/54/49/50/1064544950.db2.gz BJPKUDCCNZVMGM-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CC2)CC1 ZINC001359891157 1064591166 /nfs/dbraw/zinc/59/11/66/1064591166.db2.gz YKLRNVHXPYSJCW-XMMPIXPASA-N 0 3 480.484 4.971 20 0 JJADHN CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](c1cccs1)N(C)C ZINC001359914831 1064634739 /nfs/dbraw/zinc/63/47/39/1064634739.db2.gz OPYFNZSDZMONGS-QGZVFWFLSA-N 0 3 465.465 4.882 20 0 JJADHN Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001435325703 1064697889 /nfs/dbraw/zinc/69/78/89/1064697889.db2.gz SCZABRSKNFPPDF-UHFFFAOYSA-N 0 3 459.619 4.626 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC001435326191 1064698880 /nfs/dbraw/zinc/69/88/80/1064698880.db2.gz UFXIDYDTXFULAZ-UHFFFAOYSA-N 0 3 459.981 4.695 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951868 1064711649 /nfs/dbraw/zinc/71/16/49/1064711649.db2.gz IFXGLXOYZCSVTE-RUZDIDTESA-N 0 3 482.717 4.631 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CC=CCC2)cc1 ZINC001359955413 1064724383 /nfs/dbraw/zinc/72/43/83/1064724383.db2.gz WLPIQNWKHVULED-JOCHJYFZSA-N 0 3 467.658 4.636 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(Cl)c(F)cc2Br)cc1 ZINC001545890519 1064726715 /nfs/dbraw/zinc/72/67/15/1064726715.db2.gz DOQPAXBBGIVXGN-IBGZPJMESA-N 0 3 455.755 4.817 20 0 JJADHN CC(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001359971474 1064748042 /nfs/dbraw/zinc/74/80/42/1064748042.db2.gz XGUVHHWRFSVDFO-IBGZPJMESA-N 0 3 475.435 4.948 20 0 JJADHN CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359990021 1064771483 /nfs/dbraw/zinc/77/14/83/1064771483.db2.gz IEIWMBANCGVDOX-UHFFFAOYSA-N 0 3 487.136 4.953 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001360015041 1064813772 /nfs/dbraw/zinc/81/37/72/1064813772.db2.gz MSPARZVHBFBOBT-FXAWDEMLSA-N 0 3 464.427 4.624 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001360017735 1064818409 /nfs/dbraw/zinc/81/84/09/1064818409.db2.gz IUFFRBZMCDHFPP-IFMALSPDSA-N 0 3 490.490 4.547 20 0 JJADHN CCOc1ccc([C@]2(C(=O)N(CCN(C)C)Cc3ccccc3F)CC2(Cl)Cl)cc1 ZINC001360019395 1064821772 /nfs/dbraw/zinc/82/17/72/1064821772.db2.gz MVMJUSJHBNJVBZ-QFIPXVFZSA-N 0 3 453.385 4.630 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360029407 1064831048 /nfs/dbraw/zinc/83/10/48/1064831048.db2.gz QPTDDGQRLLFKCK-OAQYLSRUSA-N 0 3 453.528 4.630 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2ccc(Cl)s2)CC1 ZINC001360030077 1064832061 /nfs/dbraw/zinc/83/20/61/1064832061.db2.gz CVZUHYCXLFLGML-UHFFFAOYSA-N 0 3 480.028 4.883 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001360031653 1064833721 /nfs/dbraw/zinc/83/37/21/1064833721.db2.gz CKUIGEIYVXWHDV-UHFFFAOYSA-N 0 3 453.320 4.661 20 0 JJADHN Cc1cc(F)cc(-n2nc(C(=O)N(CCN(C)C)Cc3cccc(Cl)c3)c3c2CCC3)c1 ZINC001360032190 1064834433 /nfs/dbraw/zinc/83/44/33/1064834433.db2.gz KZZONCRMEGNPFL-UHFFFAOYSA-N 0 3 454.977 4.666 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001360032815 1064835230 /nfs/dbraw/zinc/83/52/30/1064835230.db2.gz SLVFUIBDPIGKFE-UHFFFAOYSA-N 0 3 454.977 4.748 20 0 JJADHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001360035223 1064841057 /nfs/dbraw/zinc/84/10/57/1064841057.db2.gz LEBUYVDOUNEEKC-UHFFFAOYSA-N 0 3 457.553 4.586 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)nc1 ZINC001360037430 1064846486 /nfs/dbraw/zinc/84/64/86/1064846486.db2.gz KELRCZHAGUAGBS-UHFFFAOYSA-N 0 3 458.990 4.820 20 0 JJADHN COc1ccc(-n2nc(C(=O)N(CCN3CCCC3)Cc3ccc(Cl)cc3)cc2C)cc1 ZINC001360037673 1064847385 /nfs/dbraw/zinc/84/73/85/1064847385.db2.gz QCHBZPYIMYSPDT-UHFFFAOYSA-N 0 3 452.986 4.581 20 0 JJADHN Cc1cc(C)c(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1Br ZINC001435616391 1064878617 /nfs/dbraw/zinc/87/86/17/1064878617.db2.gz BVZAJHSBJPXQFR-LJQANCHMSA-N 0 3 453.384 4.962 20 0 JJADHN CC(C)COc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001360054807 1064883504 /nfs/dbraw/zinc/88/35/04/1064883504.db2.gz NWECHWUCXZDCKA-UHFFFAOYSA-N 0 3 490.696 4.905 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001360056629 1064888602 /nfs/dbraw/zinc/88/86/02/1064888602.db2.gz DQCQSJBMVOZAIJ-JOCHJYFZSA-N 0 3 487.023 4.516 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001360066254 1064909110 /nfs/dbraw/zinc/90/91/10/1064909110.db2.gz LXYMCPKJFGFAMK-VQTJNVASSA-N 0 3 459.685 4.546 20 0 JJADHN CC(C)CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001360076616 1064927069 /nfs/dbraw/zinc/92/70/69/1064927069.db2.gz SCSAQXHCNPZDAZ-UHFFFAOYSA-N 0 3 478.106 4.679 20 0 JJADHN CC(C)CSCCCn1c(N2CCN(C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C ZINC001360080089 1064936454 /nfs/dbraw/zinc/93/64/54/1064936454.db2.gz VIDHMKPFLPFCPU-UHFFFAOYSA-N 0 3 455.716 4.644 20 0 JJADHN CC(C)CSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360080840 1064939603 /nfs/dbraw/zinc/93/96/03/1064939603.db2.gz SULNNJYYUPXRMK-UHFFFAOYSA-N 0 3 467.630 4.856 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805718 1065001487 /nfs/dbraw/zinc/00/14/87/1065001487.db2.gz QVKKHYLNRUCMIT-XIKOKIGWSA-N 0 3 459.281 4.857 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC001435805707 1065001548 /nfs/dbraw/zinc/00/15/48/1065001548.db2.gz QVKKHYLNRUCMIT-KZULUSFZSA-N 0 3 459.281 4.857 20 0 JJADHN CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435806853 1065002071 /nfs/dbraw/zinc/00/20/71/1065002071.db2.gz GWWURQXMJXYNLR-HXUWFJFHSA-N 0 3 454.665 4.832 20 0 JJADHN CCCN(C(=O)c1nc(Br)c2ccccn21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001360128664 1065023199 /nfs/dbraw/zinc/02/31/99/1065023199.db2.gz CEOZYSKTORWFOR-IBGZPJMESA-N 0 3 455.400 4.614 20 0 JJADHN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC001435855805 1065027091 /nfs/dbraw/zinc/02/70/91/1065027091.db2.gz PHXICKXWGYHDMV-VAXXYWNWSA-N 0 3 458.549 4.817 20 0 JJADHN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC001435875310 1065038091 /nfs/dbraw/zinc/03/80/91/1065038091.db2.gz GMAHBQAYNRTKJM-HHHXNRCGSA-N 0 3 459.659 4.666 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)c1 ZINC001435890015 1065047241 /nfs/dbraw/zinc/04/72/41/1065047241.db2.gz RHQAYVFXDXYBSN-KRWDZBQOSA-N 0 3 458.027 4.968 20 0 JJADHN C[C@H](Sc1ccc(Br)cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001360148076 1065050632 /nfs/dbraw/zinc/05/06/32/1065050632.db2.gz QHDSAFWWMLTVTA-INIZCTEOSA-N 0 3 457.503 4.798 20 0 JJADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156013 1065057228 /nfs/dbraw/zinc/05/72/28/1065057228.db2.gz NJWGRXMHAMKGQE-YADHBBJMSA-N 0 3 480.692 4.687 20 0 JJADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156011 1065057361 /nfs/dbraw/zinc/05/73/61/1065057361.db2.gz NJWGRXMHAMKGQE-FGZHOGPDSA-N 0 3 480.692 4.687 20 0 JJADHN CSc1cccc(N(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)C2CCN(C)CC2)c1 ZINC001360192835 1065076280 /nfs/dbraw/zinc/07/62/80/1065076280.db2.gz ZMZWIKWPJCXDOF-UHFFFAOYSA-N 0 3 456.562 4.922 20 0 JJADHN CSc1cccc(N(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C2CCN(C)CC2)c1 ZINC001360192434 1065076395 /nfs/dbraw/zinc/07/63/95/1065076395.db2.gz SNAOOCKTXCCKOC-UHFFFAOYSA-N 0 3 451.636 4.732 20 0 JJADHN Cc1nn(-c2ccc(C(=O)N3CCN(C4CCC(C)CC4)CC3)cc2)c(C)c1Br ZINC001360294307 1065128899 /nfs/dbraw/zinc/12/88/99/1065128899.db2.gz GKJSUNVVHPXUNO-UHFFFAOYSA-N 0 3 459.432 4.588 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3cc4ccc(F)cc4nc3C)c(OCC)c2)CC1 ZINC001436099809 1065179930 /nfs/dbraw/zinc/17/99/30/1065179930.db2.gz AKYMRRUUOUYLDD-UHFFFAOYSA-N 0 3 450.558 4.865 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3ccc(OC4CCCC4)nc3)c(OCC)c2)CC1 ZINC001436102201 1065181297 /nfs/dbraw/zinc/18/12/97/1065181297.db2.gz KBETVFULRMOICO-UHFFFAOYSA-N 0 3 452.599 4.586 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)c(OCC)c2)CC1 ZINC001436102756 1065181325 /nfs/dbraw/zinc/18/13/25/1065181325.db2.gz NNBBJDDQMLLTLB-FCHUYYIVSA-N 0 3 473.564 4.961 20 0 JJADHN CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001360387119 1065251202 /nfs/dbraw/zinc/25/12/02/1065251202.db2.gz AEZFXPNEFPEIAT-BJKOFHAPSA-N 0 3 453.652 4.749 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCCN(C)C1 ZINC001360387494 1065252107 /nfs/dbraw/zinc/25/21/07/1065252107.db2.gz IXRDGNMGKCNIAE-PMACEKPBSA-N 0 3 451.464 4.521 20 0 JJADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001360411928 1065275155 /nfs/dbraw/zinc/27/51/55/1065275155.db2.gz JDBLPMQQXGAYOW-INIZCTEOSA-N 0 3 457.290 4.742 20 0 JJADHN COC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c(Cl)c1 ZINC001436254802 1065276250 /nfs/dbraw/zinc/27/62/50/1065276250.db2.gz JXPVYVRNVWBOFP-UHFFFAOYSA-N 0 3 452.338 4.897 20 0 JJADHN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3OC3CCN(C)CC3)cc2C)cc1 ZINC001436256250 1065276927 /nfs/dbraw/zinc/27/69/27/1065276927.db2.gz ZSIIUKKZSOASAU-UHFFFAOYSA-N 0 3 454.958 4.568 20 0 JJADHN COc1ccc(CC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c(Cl)c1OC ZINC001436255777 1065276962 /nfs/dbraw/zinc/27/69/62/1065276962.db2.gz SLSLCLFVAOBMNS-UHFFFAOYSA-N 0 3 453.366 4.665 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)C1 ZINC001436279494 1065285662 /nfs/dbraw/zinc/28/56/62/1065285662.db2.gz MXHMLULOAZNTOT-IBGZPJMESA-N 0 3 456.512 4.544 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001436281600 1065286387 /nfs/dbraw/zinc/28/63/87/1065286387.db2.gz UXDZVPLZMKHYCE-OAHLLOKOSA-N 0 3 453.327 4.645 20 0 JJADHN CC(C)SCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001360425205 1065295103 /nfs/dbraw/zinc/29/51/03/1065295103.db2.gz YYCVANIKQHSWNG-LJQANCHMSA-N 0 3 496.146 4.524 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC001436429385 1065317100 /nfs/dbraw/zinc/31/71/00/1065317100.db2.gz DUJLRBDFJVTTKE-XNMGPUDCSA-N 0 3 450.623 4.660 20 0 JJADHN CC(C)CN(C(=O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1)C1CCN(C)CC1 ZINC001436589384 1065385913 /nfs/dbraw/zinc/38/59/13/1065385913.db2.gz SFMAEPDZDOIHOM-UHFFFAOYSA-N 0 3 456.940 4.796 20 0 JJADHN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360503390 1065431415 /nfs/dbraw/zinc/43/14/15/1065431415.db2.gz KFIUFSRFMCYNEU-XXBNENTESA-N 0 3 476.650 4.868 20 0 JJADHN C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360503388 1065431459 /nfs/dbraw/zinc/43/14/59/1065431459.db2.gz KFIUFSRFMCYNEU-CVDCTZTESA-N 0 3 476.650 4.868 20 0 JJADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001360517113 1065479253 /nfs/dbraw/zinc/47/92/53/1065479253.db2.gz XIVGPXSXLXIUOH-NRFANRHFSA-N 0 3 488.721 4.578 20 0 JJADHN CSc1ncc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)n1-c1ccc(F)cc1 ZINC001437035223 1065498711 /nfs/dbraw/zinc/49/87/11/1065498711.db2.gz YAZSNARHPSFLGN-QFIPXVFZSA-N 0 3 452.599 4.858 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2OC)n1C[C@H](C)N1CCC(C)CC1 ZINC001545904458 1065504077 /nfs/dbraw/zinc/50/40/77/1065504077.db2.gz VUNJOUWUXQAZSD-URXFXBBRSA-N 0 3 496.700 4.667 20 0 JJADHN C[C@@H](CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360526269 1065504328 /nfs/dbraw/zinc/50/43/28/1065504328.db2.gz INAJDJHIFIPVRQ-REWPJTCUSA-N 0 3 460.651 4.868 20 0 JJADHN CC(C)(C)c1ccc(OCCCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001437376467 1065544855 /nfs/dbraw/zinc/54/48/55/1065544855.db2.gz KOKNVNRXCZJOTQ-IZZNHLLZSA-N 0 3 450.623 4.645 20 0 JJADHN Cc1cc(Br)ccc1CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001360585926 1065585366 /nfs/dbraw/zinc/58/53/66/1065585366.db2.gz YIJJANOUXIHFKO-HXUWFJFHSA-N 0 3 455.318 4.828 20 0 JJADHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001437651140 1065588488 /nfs/dbraw/zinc/58/84/88/1065588488.db2.gz FYTMRFXTVSCMMV-HNNXBMFYSA-N 0 3 452.780 4.892 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337680 1065711620 /nfs/dbraw/zinc/71/16/20/1065711620.db2.gz OUEDQCTYJXHURT-JSRBVGTNSA-N 0 3 464.993 4.900 20 0 JJADHN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001438455992 1065721849 /nfs/dbraw/zinc/72/18/49/1065721849.db2.gz DSIAWUSJDCFRGB-URVUXULASA-N 0 3 452.904 4.741 20 0 JJADHN C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657822 1065726896 /nfs/dbraw/zinc/72/68/96/1065726896.db2.gz CZMNGTRLVKRFTQ-UQCBTIDJSA-N 0 3 459.512 4.914 20 0 JJADHN C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657823 1065727426 /nfs/dbraw/zinc/72/74/26/1065727426.db2.gz CZMNGTRLVKRFTQ-XBVMLYLOSA-N 0 3 459.512 4.914 20 0 JJADHN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)cc2)nc1 ZINC001360659390 1065728321 /nfs/dbraw/zinc/72/83/21/1065728321.db2.gz XSQSUPASUDLALF-HSZRJFAPSA-N 0 3 458.562 4.601 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747624 1065789848 /nfs/dbraw/zinc/78/98/48/1065789848.db2.gz LINCCAFYGICNQI-GGAORHGYSA-N 0 3 455.643 4.537 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC001360748364 1065789937 /nfs/dbraw/zinc/78/99/37/1065789937.db2.gz WVAZEVTYMYNRCQ-MRXNPFEDSA-N 0 3 451.792 4.604 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ncccc1N(C)C ZINC001360759994 1065830794 /nfs/dbraw/zinc/83/07/94/1065830794.db2.gz FPOMCLJDDXIFTO-IBGZPJMESA-N 0 3 498.075 4.501 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C ZINC001360764798 1065846421 /nfs/dbraw/zinc/84/64/21/1065846421.db2.gz FMNZOZWZHTVPID-ZJOUEHCJSA-N 0 3 487.645 4.784 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001360818993 1065932113 /nfs/dbraw/zinc/93/21/13/1065932113.db2.gz MUGHLTWKDBDYDL-FQEVSTJZSA-N 0 3 478.106 4.959 20 0 JJADHN CN(C)[C@@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccccc1 ZINC001440665734 1065960934 /nfs/dbraw/zinc/96/09/34/1065960934.db2.gz JSDDMFLOYQZRGY-LJQANCHMSA-N 0 3 454.368 4.539 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001440672359 1065962048 /nfs/dbraw/zinc/96/20/48/1065962048.db2.gz NATONCOOLZACCM-DNQXCXABSA-N 0 3 451.611 4.643 20 0 JJADHN O=C(COc1ccc2ccccc2c1Br)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001440676521 1065963156 /nfs/dbraw/zinc/96/31/56/1065963156.db2.gz YOCNDQBADRIHFV-NRFANRHFSA-N 0 3 453.380 4.934 20 0 JJADHN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001440709490 1065969104 /nfs/dbraw/zinc/96/91/04/1065969104.db2.gz XCBGDVUYFLJYCJ-LJQANCHMSA-N 0 3 455.484 4.552 20 0 JJADHN CC1=C(Br)CN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001360854168 1065972734 /nfs/dbraw/zinc/97/27/34/1065972734.db2.gz RNOAYCPMWZMBKE-JOCHJYFZSA-N 0 3 499.432 4.585 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001360872874 1066007192 /nfs/dbraw/zinc/00/71/92/1066007192.db2.gz AMNKUGAUTHIRDU-DQEYMECFSA-N 0 3 496.744 4.933 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2nccs2)c1C ZINC001360877088 1066022029 /nfs/dbraw/zinc/02/20/29/1066022029.db2.gz HRINLNKXFJXVCJ-HXUWFJFHSA-N 0 3 468.671 4.655 20 0 JJADHN O=C(CCc1nc2cc(Br)ccc2s1)NCCCN1CCc2ccccc2C1 ZINC001441300138 1066023819 /nfs/dbraw/zinc/02/38/19/1066023819.db2.gz RSLLHDLZIVLGEC-UHFFFAOYSA-N 0 3 458.425 4.556 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccsc1 ZINC001441306560 1066024378 /nfs/dbraw/zinc/02/43/78/1066024378.db2.gz FTANPDZLKMZTPO-YADHBBJMSA-N 0 3 457.640 4.609 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cc(Cl)cc(F)c3Br)cc2)CC1 ZINC001441311520 1066025068 /nfs/dbraw/zinc/02/50/68/1066025068.db2.gz MQGPKUYRZJCQBT-UHFFFAOYSA-N 0 3 454.771 4.631 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccsc1 ZINC001441322970 1066027786 /nfs/dbraw/zinc/02/77/86/1066027786.db2.gz YKTCRXXDPIHETD-QFIPXVFZSA-N 0 3 459.656 4.970 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)CC1 ZINC001441362645 1066034725 /nfs/dbraw/zinc/03/47/25/1066034725.db2.gz BWBIGSVSZCOVRG-UHFFFAOYSA-N 0 3 455.027 4.531 20 0 JJADHN Cc1ccsc1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360926503 1066083012 /nfs/dbraw/zinc/08/30/12/1066083012.db2.gz QZPPMXAEUFWSJV-UHFFFAOYSA-N 0 3 457.619 4.529 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)c2ccccc2)CC1 ZINC001442064018 1066088557 /nfs/dbraw/zinc/08/85/57/1066088557.db2.gz SCCNBBPOBFISIF-WIOPSUGQSA-N 0 3 457.977 4.952 20 0 JJADHN CC1CCN([C@@H](CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c2ccccc2)CC1 ZINC001442068142 1066089321 /nfs/dbraw/zinc/08/93/21/1066089321.db2.gz DRVFZCVDRGCUJU-IBGZPJMESA-N 0 3 453.480 4.564 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CC=CCC1 ZINC001360932138 1066089300 /nfs/dbraw/zinc/08/93/00/1066089300.db2.gz GZJZSWZJCLQCLC-UHFFFAOYSA-N 0 3 491.434 4.510 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1C[C@H](c1cccs1)N(C)C ZINC001360947430 1066102335 /nfs/dbraw/zinc/10/23/35/1066102335.db2.gz LRKCEDVAAONFSS-HXUWFJFHSA-N 0 3 466.680 4.829 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)cc2Cl)CC1 ZINC001442246420 1066107812 /nfs/dbraw/zinc/10/78/12/1066107812.db2.gz OKGOVBRFTZYNEV-VWLOTQADSA-N 0 3 455.046 4.865 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264357 1066110062 /nfs/dbraw/zinc/11/00/62/1066110062.db2.gz MOPHDNDEEOBCCE-HBUYNFGHSA-N 0 3 451.611 4.840 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC001442264367 1066110168 /nfs/dbraw/zinc/11/01/68/1066110168.db2.gz MOPHDNDEEOBCCE-TYJFDUFHSA-N 0 3 451.611 4.840 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001442305517 1066115316 /nfs/dbraw/zinc/11/53/16/1066115316.db2.gz LMGKNCPRQJYOPG-SFHVURJKSA-N 0 3 459.553 4.898 20 0 JJADHN C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001442344601 1066118322 /nfs/dbraw/zinc/11/83/22/1066118322.db2.gz UDEPHZZYSWSSEW-ISKFKSNPSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)N2CCCC2)cc1 ZINC001442597780 1066142869 /nfs/dbraw/zinc/14/28/69/1066142869.db2.gz ZSGGSTAKAGBBJZ-HOFKKMOUSA-N 0 3 451.611 4.688 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)N2CCCC2)cc1 ZINC001442603183 1066143330 /nfs/dbraw/zinc/14/33/30/1066143330.db2.gz PYLJYKLMGSJMGV-PKTZIBPZSA-N 0 3 455.643 4.675 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(C)(C)O ZINC001360992519 1066172018 /nfs/dbraw/zinc/17/20/18/1066172018.db2.gz PCKYVIZDQDGXQM-LJQANCHMSA-N 0 3 478.081 4.770 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001361021552 1066215062 /nfs/dbraw/zinc/21/50/62/1066215062.db2.gz YVMWNLYWALYDNC-QHCPKHFHSA-N 0 3 476.650 4.870 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001361023885 1066220517 /nfs/dbraw/zinc/22/05/17/1066220517.db2.gz FQMAABIPNPSCCF-RBBKRZOGSA-N 0 3 483.682 4.842 20 0 JJADHN CCc1c(C(=O)N2CCCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001442842601 1066230863 /nfs/dbraw/zinc/23/08/63/1066230863.db2.gz OMGVNLDEENVMCU-UHFFFAOYSA-N 0 3 451.014 4.869 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)/C=C\c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006744 1066232710 /nfs/dbraw/zinc/23/27/10/1066232710.db2.gz BTBQLUJBONUYAO-PHWHVTFISA-N 0 3 453.530 4.695 20 0 JJADHN CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442886470 1066237203 /nfs/dbraw/zinc/23/72/03/1066237203.db2.gz YAPUVSCPBKOBDD-VWLOTQADSA-N 0 3 454.684 4.567 20 0 JJADHN Cc1nc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCN(C(C)(C)C)CC2)sc1C ZINC001361034928 1066251732 /nfs/dbraw/zinc/25/17/32/1066251732.db2.gz JGFJYVOFYHAYED-UHFFFAOYSA-N 0 3 468.671 4.516 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCc2nccs2)c1 ZINC001361035508 1066254367 /nfs/dbraw/zinc/25/43/67/1066254367.db2.gz DXXQKQVEDZWQGH-UHFFFAOYSA-N 0 3 482.698 4.731 20 0 JJADHN CC[C@]1(C)CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546060041 1066271690 /nfs/dbraw/zinc/27/16/90/1066271690.db2.gz UQTIVUDEIRPQHN-QFQXNSOFSA-N 0 3 487.714 4.705 20 0 JJADHN CC[C@]1(C)CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546060039 1066271944 /nfs/dbraw/zinc/27/19/44/1066271944.db2.gz UQTIVUDEIRPQHN-HFZDXXHNSA-N 0 3 487.714 4.705 20 0 JJADHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001443152827 1066274337 /nfs/dbraw/zinc/27/43/37/1066274337.db2.gz CQYCFJGOEGJBEL-JOCHJYFZSA-N 0 3 458.484 4.932 20 0 JJADHN Cc1ccc2nc(CSCC(=O)N[C@H](CN(C)C)c3ccc(Cl)c(Cl)c3)cn2c1 ZINC001454572931 1066302272 /nfs/dbraw/zinc/30/22/72/1066302272.db2.gz BUYPMFLWKITEOO-LJQANCHMSA-N 0 3 451.423 4.602 20 0 JJADHN CC[C@]1(C)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001546064239 1066317183 /nfs/dbraw/zinc/31/71/83/1066317183.db2.gz LLRJJIZCQFUDPX-AFMDSPMNSA-N 0 3 499.681 4.962 20 0 JJADHN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(CN4CCCCC4)c3)sc2C1 ZINC001443494700 1066318857 /nfs/dbraw/zinc/31/88/57/1066318857.db2.gz VFVAJZPUEAMAPU-UHFFFAOYSA-N 0 3 456.612 4.675 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001361087788 1066328088 /nfs/dbraw/zinc/32/80/88/1066328088.db2.gz CHQPOJBKYJOARP-OYRHEFFESA-N 0 3 490.117 4.844 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCCS1 ZINC001361090954 1066340139 /nfs/dbraw/zinc/34/01/39/1066340139.db2.gz LHXLICYDIPFNKH-QFIPXVFZSA-N 0 3 492.133 4.925 20 0 JJADHN C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001443722996 1066356952 /nfs/dbraw/zinc/35/69/52/1066356952.db2.gz BLDFXODKDUXEEC-LEWJYISDSA-N 0 3 455.593 4.513 20 0 JJADHN CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)Oc1cccc(F)c1 ZINC001545962370 1066367493 /nfs/dbraw/zinc/36/74/93/1066367493.db2.gz BIQNLEAADXVTHR-WAOWUJCRSA-N 0 3 455.578 4.762 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361127159 1066387446 /nfs/dbraw/zinc/38/74/46/1066387446.db2.gz GHQIRHLXRANWGK-XMMPIXPASA-N 0 3 496.744 4.941 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001361129543 1066393234 /nfs/dbraw/zinc/39/32/34/1066393234.db2.gz ABOAWUGSDWAAPQ-UHFFFAOYSA-N 0 3 480.632 4.792 20 0 JJADHN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461287 1066393679 /nfs/dbraw/zinc/39/36/79/1066393679.db2.gz CNHKUDLJUTZEDM-AJTFRIOCSA-N 0 3 451.630 4.764 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361140860 1066419347 /nfs/dbraw/zinc/41/93/47/1066419347.db2.gz HRWPPKOMNVOQHA-ZXDNMGRFSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@H]3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141286 1066420352 /nfs/dbraw/zinc/42/03/52/1066420352.db2.gz MBPBIDWKLCDLJJ-PWHSHALESA-N 0 3 452.672 4.870 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CCCC[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141606 1066420948 /nfs/dbraw/zinc/42/09/48/1066420948.db2.gz ONILNKMNWMUVMC-DPPGTGKWSA-N 0 3 469.674 4.556 20 0 JJADHN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)s1 ZINC001361141660 1066421873 /nfs/dbraw/zinc/42/18/73/1066421873.db2.gz PUJLUXQHQNGLDR-IGKIAQTJSA-N 0 3 497.709 4.936 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@@H](CC(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141799 1066421891 /nfs/dbraw/zinc/42/18/91/1066421891.db2.gz QMTWFOIUCZUGMS-AGJHTDJMSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001361141647 1066421904 /nfs/dbraw/zinc/42/19/04/1066421904.db2.gz PNCKAOPRUISQOE-OAQYLSRUSA-N 0 3 466.680 4.943 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@@H](CC(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141802 1066422746 /nfs/dbraw/zinc/42/27/46/1066422746.db2.gz QMTWFOIUCZUGMS-YRLRHBCXSA-N 0 3 483.701 4.802 20 0 JJADHN C[C@H]1CN(C(=O)c2ccc(Cn3cc(Cl)c(C(F)(F)F)n3)cc2)CCN1C1CCCC1 ZINC001455702719 1066424941 /nfs/dbraw/zinc/42/49/41/1066424941.db2.gz OAZDDWXOXAMKKS-HNNXBMFYSA-N 0 3 454.924 4.693 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001444258845 1066436916 /nfs/dbraw/zinc/43/69/16/1066436916.db2.gz KLDWQYXKSQOTLN-NEWJYFPISA-N 0 3 455.643 4.583 20 0 JJADHN Cc1csc(C[C@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)n1 ZINC001455887518 1066446125 /nfs/dbraw/zinc/44/61/25/1066446125.db2.gz KQFUWCYBAPVXSV-DENIHFKCSA-N 0 3 451.558 4.687 20 0 JJADHN Cc1csc(C[C@@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)n1 ZINC001455887522 1066446175 /nfs/dbraw/zinc/44/61/75/1066446175.db2.gz KQFUWCYBAPVXSV-SIKLNZKXSA-N 0 3 451.558 4.687 20 0 JJADHN C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)cc2)CC1 ZINC001444358820 1066454408 /nfs/dbraw/zinc/45/44/08/1066454408.db2.gz YPNJRKFMDZHSAF-UHFFFAOYSA-N 0 3 459.616 4.520 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCCC(C)C)c1 ZINC001361155452 1066455223 /nfs/dbraw/zinc/45/52/23/1066455223.db2.gz UJBUXLNKJUZFSK-VWLOTQADSA-N 0 3 482.717 4.515 20 0 JJADHN C[C@H]1[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C ZINC001455953857 1066459526 /nfs/dbraw/zinc/45/95/26/1066459526.db2.gz WZBAIIZZPMICAY-SCLBCKFNSA-N 0 3 452.407 4.547 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001444420674 1066460750 /nfs/dbraw/zinc/46/07/50/1066460750.db2.gz AGPWKDWIPJKURJ-INIZCTEOSA-N 0 3 451.792 4.999 20 0 JJADHN COCCOCc1cc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)ccc1F ZINC001444499125 1066468225 /nfs/dbraw/zinc/46/82/25/1066468225.db2.gz AWMJVICCVXZVAA-UHFFFAOYSA-N 0 3 454.586 4.650 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC001456006184 1066471073 /nfs/dbraw/zinc/47/10/73/1066471073.db2.gz GNUVZBFLPVZRDL-LJQANCHMSA-N 0 3 457.405 4.858 20 0 JJADHN CN(C)[C@H](C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001361176399 1066494625 /nfs/dbraw/zinc/49/46/25/1066494625.db2.gz MZCMGPUUVJDHCR-DEOSSOPVSA-N 0 3 457.018 4.786 20 0 JJADHN CC(C)Oc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)ccc1Br ZINC001456054970 1066495131 /nfs/dbraw/zinc/49/51/31/1066495131.db2.gz KFSQQHMNMRMXDC-UHFFFAOYSA-N 0 3 455.343 4.719 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC001456054390 1066495165 /nfs/dbraw/zinc/49/51/65/1066495165.db2.gz HXTACYCXOKIRBN-LJQANCHMSA-N 0 3 457.043 4.757 20 0 JJADHN CCN(CC1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(C)c2)CC1)C(=O)OC(C)(C)C ZINC001444767291 1066502823 /nfs/dbraw/zinc/50/28/23/1066502823.db2.gz GQCRMHYZNHVLPK-XMMPIXPASA-N 0 3 457.659 4.845 20 0 JJADHN CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001546079443 1066510034 /nfs/dbraw/zinc/51/00/34/1066510034.db2.gz MNWLMNDHLKBDQR-SANMLTNESA-N 0 3 470.731 4.531 20 0 JJADHN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)o1 ZINC001361190584 1066515650 /nfs/dbraw/zinc/51/56/50/1066515650.db2.gz MAUDVUBIGNKSAQ-IBGZPJMESA-N 0 3 469.586 4.865 20 0 JJADHN C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CCN1Cc1ccccc1 ZINC001444893541 1066516532 /nfs/dbraw/zinc/51/65/32/1066516532.db2.gz SSVFLUZUNGQJGK-QGZVFWFLSA-N 0 3 453.384 4.576 20 0 JJADHN CN1CCC(N(Cc2ccccc2)C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC001444923570 1066518126 /nfs/dbraw/zinc/51/81/26/1066518126.db2.gz JMQOHIBUONGGHQ-UHFFFAOYSA-N 0 3 457.659 4.975 20 0 JJADHN Cc1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c2ccc(Br)cc2n1 ZINC001444928658 1066518678 /nfs/dbraw/zinc/51/86/78/1066518678.db2.gz XLFHAQKJCGLBSN-UHFFFAOYSA-N 0 3 454.368 4.515 20 0 JJADHN CC(C)[C@H](CCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935315 1066519188 /nfs/dbraw/zinc/51/91/88/1066519188.db2.gz MXHMDDDSSFMORI-URXFXBBRSA-N 0 3 459.675 4.727 20 0 JJADHN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001361192142 1066519280 /nfs/dbraw/zinc/51/92/80/1066519280.db2.gz HZWFIICPBAUOLH-NOZRDPDXSA-N 0 3 459.556 4.737 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H](c2cccs2)N(C)C)o1 ZINC001361200054 1066529433 /nfs/dbraw/zinc/52/94/33/1066529433.db2.gz MEQSQDWVMVNVBP-INIZCTEOSA-N 0 3 453.534 4.990 20 0 JJADHN Cc1c(C(=O)Nc2cc(Cl)ccc2SC(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC001456181746 1066532085 /nfs/dbraw/zinc/53/20/85/1066532085.db2.gz WKPRCIWRISTDKQ-UHFFFAOYSA-N 0 3 456.015 4.970 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361209014 1066541871 /nfs/dbraw/zinc/54/18/71/1066541871.db2.gz JNKNLJIHBOOQCO-FQEVSTJZSA-N 0 3 457.644 4.995 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2OCCC2(C)C)cc1Br ZINC001361223925 1066561907 /nfs/dbraw/zinc/56/19/07/1066561907.db2.gz DGRZWEQOPGNANF-OAQYLSRUSA-N 0 3 490.490 4.609 20 0 JJADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1csc(-c2cccc(Cl)c2)n1 ZINC001456323658 1066562771 /nfs/dbraw/zinc/56/27/71/1066562771.db2.gz UVGBCATWPNUYAB-UHFFFAOYSA-N 0 3 454.983 4.541 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2cccc(COCC(F)(F)F)c2)o1 ZINC001361224376 1066562878 /nfs/dbraw/zinc/56/28/78/1066562878.db2.gz SCKJDPMHRLJGBU-UHFFFAOYSA-N 0 3 491.558 4.752 20 0 JJADHN Cc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)o1 ZINC001361227005 1066565528 /nfs/dbraw/zinc/56/55/28/1066565528.db2.gz DTFCYEXYMRWRQA-QFQXNSOFSA-N 0 3 469.605 4.930 20 0 JJADHN CC1CCC(N2CCN(C(=O)c3ccc(NC(=O)CSc4cccs4)cc3)CC2)CC1 ZINC001456419278 1066581846 /nfs/dbraw/zinc/58/18/46/1066581846.db2.gz PTIFAGPLMKRPGQ-UHFFFAOYSA-N 0 3 457.665 4.815 20 0 JJADHN COc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(OC)c1OCc1ccccc1 ZINC001456417906 1066581920 /nfs/dbraw/zinc/58/19/20/1066581920.db2.gz KELPWZOIDNBHQE-UHFFFAOYSA-N 0 3 452.595 4.619 20 0 JJADHN CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC001545976578 1066587277 /nfs/dbraw/zinc/58/72/77/1066587277.db2.gz RZACUAXQDVZNFL-IBGZPJMESA-N 0 3 456.388 4.727 20 0 JJADHN CC[C@]1(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546082752 1066594499 /nfs/dbraw/zinc/59/44/99/1066594499.db2.gz CCNXITCNYVLTGJ-DHTSOJEISA-N 0 3 487.645 4.927 20 0 JJADHN Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CCN(C)Cc3ccccc3)CC2)c1 ZINC001492607658 1066667264 /nfs/dbraw/zinc/66/72/64/1066667264.db2.gz CUUYHBOIGHUCKG-UHFFFAOYSA-N 0 3 476.669 4.750 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2cc(Cl)ccc2Br)cc1 ZINC001446348587 1066694352 /nfs/dbraw/zinc/69/43/52/1066694352.db2.gz HPOQGYBDMSPUBI-FQEVSTJZSA-N 0 3 451.792 4.607 20 0 JJADHN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)c1 ZINC001492622577 1066694338 /nfs/dbraw/zinc/69/43/38/1066694338.db2.gz OUVSGHACTGZILV-DEOSSOPVSA-N 0 3 481.664 4.730 20 0 JJADHN Cc1coc(C)c1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001492634248 1066716727 /nfs/dbraw/zinc/71/67/27/1066716727.db2.gz HEODFRITIQVQMY-UHFFFAOYSA-N 0 3 472.431 4.744 20 0 JJADHN Cc1nc(C)c(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492656841 1066769356 /nfs/dbraw/zinc/76/93/56/1066769356.db2.gz NKTAGKGBGXOXPU-UHFFFAOYSA-N 0 3 473.090 4.759 20 0 JJADHN CC(C)N1CCN(c2cccc(NC(=O)c3nc4ccccc4cc3Br)c2)CC1 ZINC001447323165 1066792422 /nfs/dbraw/zinc/79/24/22/1066792422.db2.gz XLQOQFLRFNGJPI-UHFFFAOYSA-N 0 3 453.384 4.780 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001447328558 1066793634 /nfs/dbraw/zinc/79/36/34/1066793634.db2.gz URDQGWKTPXZCPF-JOCHJYFZSA-N 0 3 456.030 4.560 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492674799 1066809700 /nfs/dbraw/zinc/80/97/00/1066809700.db2.gz IGKTXTBFUBWFID-HXUWFJFHSA-N 0 3 495.455 4.975 20 0 JJADHN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001447566288 1066822482 /nfs/dbraw/zinc/82/24/82/1066822482.db2.gz YRONBSQSRGNNHV-OAHLLOKOSA-N 0 3 454.562 4.714 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(Cl)s2)cs1 ZINC001492680843 1066822977 /nfs/dbraw/zinc/82/29/77/1066822977.db2.gz BGAHXTABVPKETD-UHFFFAOYSA-N 0 3 479.119 4.955 20 0 JJADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC001447616062 1066828716 /nfs/dbraw/zinc/82/87/16/1066828716.db2.gz NGQXVERMZMJOIZ-UHFFFAOYSA-N 0 3 453.435 4.994 20 0 JJADHN Cc1nccn1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001492706005 1066866824 /nfs/dbraw/zinc/86/68/24/1066866824.db2.gz ZGNDXTWMDNDDCK-UHFFFAOYSA-N 0 3 474.028 4.501 20 0 JJADHN Cc1nccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001492708828 1066873059 /nfs/dbraw/zinc/87/30/59/1066873059.db2.gz NAIPNFZDFYGPOW-UHFFFAOYSA-N 0 3 493.700 4.528 20 0 JJADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)N(C)C ZINC001492717159 1066883682 /nfs/dbraw/zinc/88/36/82/1066883682.db2.gz LKPMEBGTAOWUOM-JOCHJYFZSA-N 0 3 484.073 4.950 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001448126008 1066902419 /nfs/dbraw/zinc/90/24/19/1066902419.db2.gz SYQZULJSRMSQRC-RBZQAINGSA-N 0 3 457.659 4.542 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128286 1066903220 /nfs/dbraw/zinc/90/32/20/1066903220.db2.gz XHVNUZOKQWBZIU-QTJGBDASSA-N 0 3 459.675 4.933 20 0 JJADHN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448465236 1066930430 /nfs/dbraw/zinc/93/04/30/1066930430.db2.gz LORWCKCBNHSEKQ-ZJSXRUAMSA-N 0 3 451.517 4.568 20 0 JJADHN Cc1nnc(CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492768158 1066942019 /nfs/dbraw/zinc/94/20/19/1066942019.db2.gz OWRUUPHLOMKMET-UHFFFAOYSA-N 0 3 480.469 4.575 20 0 JJADHN Cc1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001492798571 1066951788 /nfs/dbraw/zinc/95/17/88/1066951788.db2.gz IIGNYPIZTXDPAZ-OAHLLOKOSA-N 0 3 465.442 4.728 20 0 JJADHN Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001492944938 1066961388 /nfs/dbraw/zinc/96/13/88/1066961388.db2.gz VFTJVXYRPMUYLK-OALUTQOASA-N 0 3 466.438 4.836 20 0 JJADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc(COc2cccc(F)c2)c1 ZINC001448917814 1066969651 /nfs/dbraw/zinc/96/96/51/1066969651.db2.gz CQAVHRSLIHSGCM-UHFFFAOYSA-N 0 3 450.476 4.940 20 0 JJADHN Cc1cccc(COc2cccc(CC(=O)Nc3cccc(CN4CCC(CO)CC4)c3)c2)c1 ZINC001545713894 1066970599 /nfs/dbraw/zinc/97/05/99/1066970599.db2.gz CSBJZNHYCAGGTI-UHFFFAOYSA-N 0 3 458.602 4.960 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC001458094460 1066973258 /nfs/dbraw/zinc/97/32/58/1066973258.db2.gz OZISWVMLFNJTFS-LJQANCHMSA-N 0 3 456.949 4.839 20 0 JJADHN CN(C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062406 1066980821 /nfs/dbraw/zinc/98/08/21/1066980821.db2.gz OINATOMVCCQRLW-QMZMWQIVSA-N 0 3 457.618 4.671 20 0 JJADHN CC[C@@H](c1nnc(N(C)Cc2ccsc2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545724661 1066981543 /nfs/dbraw/zinc/98/15/43/1066981543.db2.gz VEJQKIUFKGJKPM-XUZZJYLKSA-N 0 3 466.699 4.544 20 0 JJADHN Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001458125293 1066983188 /nfs/dbraw/zinc/98/31/88/1066983188.db2.gz OUEVUKZNTXNYPC-SFHVURJKSA-N 0 3 459.377 4.963 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730568 1066988419 /nfs/dbraw/zinc/98/84/19/1066988419.db2.gz BQIXXGSWKNPKGO-NNMXDRDESA-N 0 3 484.595 4.784 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545731898 1066992123 /nfs/dbraw/zinc/99/21/23/1066992123.db2.gz UUSWAGQKGGTGGE-KYPHJKQUSA-N 0 3 480.745 4.966 20 0 JJADHN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001449355578 1067002838 /nfs/dbraw/zinc/00/28/38/1067002838.db2.gz LUPAMRRWNZMAJC-QGZVFWFLSA-N 0 3 459.434 4.990 20 0 JJADHN C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001449555014 1067014749 /nfs/dbraw/zinc/01/47/49/1067014749.db2.gz IDOOZCVIPNGEQC-OAHLLOKOSA-N 0 3 451.995 4.540 20 0 JJADHN CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001449564006 1067014826 /nfs/dbraw/zinc/01/48/26/1067014826.db2.gz QNZSQJLTKICYIT-QHCPKHFHSA-N 0 3 450.048 4.628 20 0 JJADHN Cn1c(C(=O)N2CCN(C)C3(CCCCC3)C2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001449886191 1067034366 /nfs/dbraw/zinc/03/43/66/1067034366.db2.gz AUJSIQFRBAMIPY-NRFANRHFSA-N 0 3 458.647 4.578 20 0 JJADHN C[C@@H](C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC001449891495 1067034848 /nfs/dbraw/zinc/03/48/48/1067034848.db2.gz CNKRQCPCFCUPFB-XKCSPQBFSA-N 0 3 461.622 4.547 20 0 JJADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCC(F)(F)F)c1ccccc1 ZINC001545758397 1067037755 /nfs/dbraw/zinc/03/77/55/1067037755.db2.gz GGZOXABYQZOCGN-UGKGYDQZSA-N 0 3 479.591 4.852 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1C[C@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759347 1067041848 /nfs/dbraw/zinc/04/18/48/1067041848.db2.gz WPUFIAUHQHKGRY-NAKRPHOHSA-N 0 3 467.702 4.929 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759373 1067042047 /nfs/dbraw/zinc/04/20/47/1067042047.db2.gz XECBUDFMYWMLAI-QTJGBDASSA-N 0 3 485.742 4.756 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759345 1067042117 /nfs/dbraw/zinc/04/21/17/1067042117.db2.gz WPUFIAUHQHKGRY-LEAFIULHSA-N 0 3 467.702 4.929 20 0 JJADHN CC[C@H](C)N[C@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372601 1067044824 /nfs/dbraw/zinc/04/48/24/1067044824.db2.gz QDDCVCKWYTZCBG-KBXCAEBGSA-N 0 3 455.360 4.712 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)CN(C(=O)OC(C)(C)C)C(C)C ZINC001450107371 1067049265 /nfs/dbraw/zinc/04/92/65/1067049265.db2.gz AWUVBNNUPCANKT-DEOSSOPVSA-N 0 3 459.675 4.824 20 0 JJADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)C1(c2cccc(Br)c2)CCCCC1 ZINC001450123778 1067051140 /nfs/dbraw/zinc/05/11/40/1067051140.db2.gz ZIQLCLZDRADXDB-QFIPXVFZSA-N 0 3 457.412 4.856 20 0 JJADHN CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)SC ZINC001545775953 1067069850 /nfs/dbraw/zinc/06/98/50/1067069850.db2.gz QGJPFWRMTRMOTR-QHCPKHFHSA-N 0 3 484.758 4.780 20 0 JJADHN CCC(O)(CC)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001546022694 1067080131 /nfs/dbraw/zinc/08/01/31/1067080131.db2.gz KWUVTGRJWIHAEX-IBGZPJMESA-N 0 3 476.065 4.687 20 0 JJADHN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001458547683 1067085728 /nfs/dbraw/zinc/08/57/28/1067085728.db2.gz HZGSVAKUWFPTAO-FCHUYYIVSA-N 0 3 480.552 4.857 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2csc(COc3ccc(F)cc3)n2)N(C)C)cc1 ZINC001450540469 1067087974 /nfs/dbraw/zinc/08/79/74/1067087974.db2.gz GJJBUYXELAFRDN-JOCHJYFZSA-N 0 3 457.571 4.681 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc3ccccc3n2Cc2ccncc2)N(C)C)cc1 ZINC001450542946 1067088349 /nfs/dbraw/zinc/08/83/49/1067088349.db2.gz LSLGDQBUSSMNNT-MHZLTWQESA-N 0 3 456.590 4.905 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Br)N(C)C)cc1 ZINC001450548969 1067089695 /nfs/dbraw/zinc/08/96/95/1067089695.db2.gz TUSZBLBUYQUTQW-FQEVSTJZSA-N 0 3 453.808 4.851 20 0 JJADHN CCC(CC)(Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCCC2)CC1)OC ZINC001545792510 1067090015 /nfs/dbraw/zinc/09/00/15/1067090015.db2.gz CDNKWAFGBKVSIP-UHFFFAOYSA-N 0 3 469.674 4.825 20 0 JJADHN CC(C)c1c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC001450608365 1067094959 /nfs/dbraw/zinc/09/49/59/1067094959.db2.gz KPBFXELYEFGORM-QGZVFWFLSA-N 0 3 459.516 4.660 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)COc2cccc(Cl)c2)CC1 ZINC001450698285 1067106203 /nfs/dbraw/zinc/10/62/03/1067106203.db2.gz XGNFVWDQDCEXNM-UHFFFAOYSA-N 0 3 451.792 4.604 20 0 JJADHN COc1ccc(CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C)C2CC2)c(OC)c1 ZINC001450710025 1067108887 /nfs/dbraw/zinc/10/88/87/1067108887.db2.gz ILNJFFCQZPOIQD-AUSIDOKSSA-N 0 3 454.586 4.882 20 0 JJADHN Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)N(C)C)cc12 ZINC001450780993 1067120227 /nfs/dbraw/zinc/12/02/27/1067120227.db2.gz GSVLVEFEATYTRD-SANMLTNESA-N 0 3 455.606 4.960 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2nc(NCc3ccco3)ncc2Cl)N(C)C)cc1 ZINC001450786446 1067121081 /nfs/dbraw/zinc/12/10/81/1067121081.db2.gz MYQXBIIXJVKUND-OAQYLSRUSA-N 0 3 455.990 4.566 20 0 JJADHN C[C@@H]1[C@H](NC(=O)[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 ZINC001450801323 1067122632 /nfs/dbraw/zinc/12/26/32/1067122632.db2.gz SDIBCVDOYWYHJD-KEKPKEOLSA-N 0 3 459.609 4.806 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC001545807186 1067124226 /nfs/dbraw/zinc/12/42/26/1067124226.db2.gz CIHCJVPOHRPKTK-MCEYFSPLSA-N 0 3 497.728 4.993 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)N1CCOCC1 ZINC001545807234 1067124960 /nfs/dbraw/zinc/12/49/60/1067124960.db2.gz DOXALHLOSSIKTG-SQJMNOBHSA-N 0 3 483.701 4.605 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@@H]1C)N1CCOCC1 ZINC001545807232 1067125009 /nfs/dbraw/zinc/12/50/09/1067125009.db2.gz DOXALHLOSSIKTG-OFVILXPXSA-N 0 3 483.701 4.605 20 0 JJADHN COc1ccccc1-n1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1cccs1 ZINC001458771843 1067138456 /nfs/dbraw/zinc/13/84/56/1067138456.db2.gz RPWFWRNMTSSFJU-UHFFFAOYSA-N 0 3 457.669 4.513 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)on1 ZINC001545823388 1067166426 /nfs/dbraw/zinc/16/64/26/1067166426.db2.gz KWBUCECIWZYSGR-SJORKVTESA-N 0 3 472.037 4.852 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001545826144 1067173460 /nfs/dbraw/zinc/17/34/60/1067173460.db2.gz GZRUGUWXSXVEQW-VGSWGCGISA-N 0 3 490.643 4.793 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@H](C)N1CCC(C)CC1 ZINC001545826744 1067176223 /nfs/dbraw/zinc/17/62/23/1067176223.db2.gz SNHABXUFBVSMOF-VXKWHMMOSA-N 0 3 468.690 4.823 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1CCCCN1C1CC1 ZINC001545826999 1067177320 /nfs/dbraw/zinc/17/73/20/1067177320.db2.gz YQNPQCKGVFEBKB-RXVVDRJESA-N 0 3 470.637 4.550 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCN1CCCC(C)(C)C1 ZINC001545836132 1067188487 /nfs/dbraw/zinc/18/84/87/1067188487.db2.gz CODIYVNOPNDYAM-UHFFFAOYSA-N 0 3 491.684 4.503 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545849483 1067203287 /nfs/dbraw/zinc/20/32/87/1067203287.db2.gz PEIMIEHFUQKROR-XUZZJYLKSA-N 0 3 480.701 4.906 20 0 JJADHN COc1ccc([C@@H]2CCCN2C(=O)CS[C@@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001459139625 1067258968 /nfs/dbraw/zinc/25/89/68/1067258968.db2.gz BSOBIQMAPKGTGC-VWNXMTODSA-N 0 3 454.636 4.765 20 0 JJADHN O=C(NCc1ccc(F)cc1Br)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001459243838 1067276671 /nfs/dbraw/zinc/27/66/71/1067276671.db2.gz QKROZQDNNAPPAW-LJQANCHMSA-N 0 3 459.281 4.659 20 0 JJADHN CC[C@]1(C)CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)(C)C)CC2)O1 ZINC001546048523 1067288816 /nfs/dbraw/zinc/28/88/16/1067288816.db2.gz NIOBOOLCQYXUEQ-CJFMBICVSA-N 0 3 477.600 4.815 20 0 JJADHN CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)cc2)C1 ZINC001453394978 1067302873 /nfs/dbraw/zinc/30/28/73/1067302873.db2.gz GBLDHGUMHTWALG-GOTSBHOMSA-N 0 3 457.615 4.731 20 0 JJADHN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CCCCN3C3CCCC3)cc2)C1 ZINC001453394993 1067303693 /nfs/dbraw/zinc/30/36/93/1067303693.db2.gz GBLDHGUMHTWALG-XZOQPEGZSA-N 0 3 457.615 4.731 20 0 JJADHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN(CC)[C@H](C)C(C)C ZINC001459385215 1067309646 /nfs/dbraw/zinc/30/96/46/1067309646.db2.gz WXVYKQPUSXBQFL-QGZVFWFLSA-N 0 3 459.612 4.790 20 0 JJADHN Fc1ccc([C@@H]2CN(CCCN3CCN(c4ccc(Cl)cc4)CC3)CCO2)cc1Cl ZINC001459425857 1067322570 /nfs/dbraw/zinc/32/25/70/1067322570.db2.gz LKANQSSWLJWSQF-QHCPKHFHSA-N 0 3 452.401 4.718 20 0 JJADHN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCC(=O)Nc1cc(F)ccc1C ZINC001459508427 1067341247 /nfs/dbraw/zinc/34/12/47/1067341247.db2.gz BDNUZTDKUIYKTP-GOTSBHOMSA-N 0 3 455.574 4.974 20 0 JJADHN CCOc1ccc([C@H](C)NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459664553 1067376422 /nfs/dbraw/zinc/37/64/22/1067376422.db2.gz AFQIBKRKXCLXPN-ZTCOLXNVSA-N 0 3 454.611 4.639 20 0 JJADHN CSc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666070 1067376570 /nfs/dbraw/zinc/37/65/70/1067376570.db2.gz YJMWYATULWASHF-MJGOQNOKSA-N 0 3 459.999 4.731 20 0 JJADHN CC(C)[C@@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C2CCCCC2)cc1 ZINC001459684409 1067382713 /nfs/dbraw/zinc/38/27/13/1067382713.db2.gz MNMPTHSGNOCILV-RUZDIDTESA-N 0 3 450.562 4.775 20 0 JJADHN CCCN(C(=O)c1cccs1)C1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001459695246 1067386611 /nfs/dbraw/zinc/38/66/11/1067386611.db2.gz PQGGFYDEJUFUGT-LJQANCHMSA-N 0 3 454.558 4.687 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)nn4)cc3)c(OCC)c2)CC1 ZINC001459710720 1067391739 /nfs/dbraw/zinc/39/17/39/1067391739.db2.gz PVIODSKXQDTCFP-UHFFFAOYSA-N 0 3 459.594 4.635 20 0 JJADHN CC(C)(C)OC(=O)CCc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC001459762319 1067412483 /nfs/dbraw/zinc/41/24/83/1067412483.db2.gz DNPLRFHVQWZPNX-UHFFFAOYSA-N 0 3 451.611 4.502 20 0 JJADHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001459848191 1067453724 /nfs/dbraw/zinc/45/37/24/1067453724.db2.gz GKJYVAYXLMSTGP-ROUUACIJSA-N 0 3 459.575 4.864 20 0 JJADHN C[C@@H](NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(F)c(Br)c1 ZINC001459850109 1067455022 /nfs/dbraw/zinc/45/50/22/1067455022.db2.gz NGKBCGHXNQIJMZ-SECBINFHSA-N 0 3 459.241 4.773 20 0 JJADHN CC(C)N(CCC(=O)Nc1ccccc1Br)Cc1cnn(Cc2ccccc2)c1 ZINC001459852233 1067457188 /nfs/dbraw/zinc/45/71/88/1067457188.db2.gz BNZQEMGAVKVJEV-UHFFFAOYSA-N 0 3 455.400 4.933 20 0 JJADHN C[C@H](N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866762 1067464023 /nfs/dbraw/zinc/46/40/23/1067464023.db2.gz VKBUBRGEZILHSX-SGTLLEGYSA-N 0 3 457.290 4.994 20 0 JJADHN CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459905240 1067482651 /nfs/dbraw/zinc/48/26/51/1067482651.db2.gz ZWRKEXNUODLSIR-NRFANRHFSA-N 0 3 455.400 4.519 20 0 JJADHN C[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001459915313 1067488333 /nfs/dbraw/zinc/48/83/33/1067488333.db2.gz RTMYJTYWQCBVEE-CYBMUJFWSA-N 0 3 453.951 4.584 20 0 JJADHN COC(=O)c1cccc(-c2nc(CN[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922390 1067492715 /nfs/dbraw/zinc/49/27/15/1067492715.db2.gz DXYKZSADEJPZTG-QFBILLFUSA-N 0 3 459.612 4.722 20 0 JJADHN COC(=O)c1cccc(-c2nc(CN[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cs2)c1 ZINC001459922814 1067492773 /nfs/dbraw/zinc/49/27/73/1067492773.db2.gz DXYKZSADEJPZTG-VQIMIIECSA-N 0 3 459.612 4.722 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@H](CC)[C@H]1CCCO1 ZINC001459927063 1067494795 /nfs/dbraw/zinc/49/47/95/1067494795.db2.gz WUJRRVJMGPVCAQ-SJLPKXTDSA-N 0 3 450.988 4.731 20 0 JJADHN CCCN(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947891 1067502989 /nfs/dbraw/zinc/50/29/89/1067502989.db2.gz YOHPBGPOBGOQGU-ZJSXRUAMSA-N 0 3 456.030 4.899 20 0 JJADHN CC(C)[C@](C)(NCC(=O)N[C@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC001459949289 1067503846 /nfs/dbraw/zinc/50/38/46/1067503846.db2.gz KPNDQVIWWXXYLI-QRQCRPRQSA-N 0 3 453.371 4.936 20 0 JJADHN O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1)NC1CCC2(CC1)OCCO2 ZINC001460025498 1067532613 /nfs/dbraw/zinc/53/26/13/1067532613.db2.gz XTVCMLYRQWHJHA-QFIPXVFZSA-N 0 3 454.533 4.718 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC001460042108 1067537220 /nfs/dbraw/zinc/53/72/20/1067537220.db2.gz RDYPNKHCKMNTLC-DLTYFMDKSA-N 0 3 453.652 4.964 20 0 JJADHN COc1cccc(S(=O)(=O)CCN[C@@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001460052326 1067539887 /nfs/dbraw/zinc/53/98/87/1067539887.db2.gz CSQXGYIEUOKWPX-NRFANRHFSA-N 0 3 454.430 4.783 20 0 JJADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC001460075840 1067547787 /nfs/dbraw/zinc/54/77/87/1067547787.db2.gz PWKCRXBEXHCYBG-UHFFFAOYSA-N 0 3 452.864 4.732 20 0 JJADHN CC[C@H](NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076710 1067548174 /nfs/dbraw/zinc/54/81/74/1067548174.db2.gz FUZIIWPTCPKVDP-HFZDXXHNSA-N 0 3 450.604 4.980 20 0 JJADHN CC[C@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(OC)c(OC)c1 ZINC001460076714 1067548190 /nfs/dbraw/zinc/54/81/90/1067548190.db2.gz FUZIIWPTCPKVDP-LVXARBLLSA-N 0 3 450.604 4.980 20 0 JJADHN Brc1ccc(CN(CCc2ccccc2Br)CCn2ccnc2)o1 ZINC001460086330 1067550439 /nfs/dbraw/zinc/55/04/39/1067550439.db2.gz NRPMCUBGYGODLE-UHFFFAOYSA-N 0 3 453.178 4.746 20 0 JJADHN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC001460114408 1067557951 /nfs/dbraw/zinc/55/79/51/1067557951.db2.gz ZKCYAUIXYHXOEW-JOCHJYFZSA-N 0 3 454.958 4.628 20 0 JJADHN CCC1(CC)CN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CCS1 ZINC001546114186 1067564618 /nfs/dbraw/zinc/56/46/18/1067564618.db2.gz YFHKVIRAVBDGGL-QHCPKHFHSA-N 0 3 485.742 4.979 20 0 JJADHN COc1ccc(C)cc1NC(=O)CN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001460149569 1067565270 /nfs/dbraw/zinc/56/52/70/1067565270.db2.gz FNDMRWGUIPOJMH-VWLOTQADSA-N 0 3 458.606 4.504 20 0 JJADHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 ZINC001460194621 1067576044 /nfs/dbraw/zinc/57/60/44/1067576044.db2.gz HXHCPILJMWAQAN-VWLOTQADSA-N 0 3 458.537 4.841 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC001460325977 1067608559 /nfs/dbraw/zinc/60/85/59/1067608559.db2.gz PVISODMUVTZZPG-RUZDIDTESA-N 0 3 450.623 4.582 20 0 JJADHN CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338359 1067611474 /nfs/dbraw/zinc/61/14/74/1067611474.db2.gz MGJAYJKLFPHYRH-YWZLYKJASA-N 0 3 451.430 4.926 20 0 JJADHN COC(=O)c1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC001460392516 1067625330 /nfs/dbraw/zinc/62/53/30/1067625330.db2.gz SLWCNKDHMJVOEW-IFMALSPDSA-N 0 3 460.521 4.634 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001460412340 1067630130 /nfs/dbraw/zinc/63/01/30/1067630130.db2.gz UTRUMPHDZGWMPS-JWQCQUIFSA-N 0 3 481.612 4.700 20 0 JJADHN CCOC(=O)C1C(CN[C@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600652 1067667110 /nfs/dbraw/zinc/66/71/10/1067667110.db2.gz FUWYTBJGFLCVKY-XUZZJYLKSA-N 0 3 459.949 4.565 20 0 JJADHN COc1ccc([C@@H]2CN(CCc3ccc4c(c3)OC(F)(F)O4)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651866 1067687159 /nfs/dbraw/zinc/68/71/59/1067687159.db2.gz PNUJITIEWJQHIY-VQTJNVASSA-N 0 3 476.520 4.552 20 0 JJADHN COc1cc(Br)ccc1CCCN1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001460662456 1067692444 /nfs/dbraw/zinc/69/24/44/1067692444.db2.gz UAUBGODNGNKDNI-RTBURBONSA-N 0 3 453.421 4.864 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C[C@@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844091 1067733543 /nfs/dbraw/zinc/73/35/43/1067733543.db2.gz PJDQMCAOCCKIKJ-JOCHJYFZSA-N 0 3 456.558 4.523 20 0 JJADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN[C@@H](C)c2csc3ccccc32)ccc1C ZINC001460913881 1067747009 /nfs/dbraw/zinc/74/70/09/1067747009.db2.gz JNPBFRAJZFNAEW-KRWDZBQOSA-N 0 3 459.637 4.530 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN[C@H](CN3CCCC3)c3ccccc3)o2)C1 ZINC001460993010 1067759395 /nfs/dbraw/zinc/75/93/95/1067759395.db2.gz QNSLCDDUTWEGRS-ISKFKSNPSA-N 0 3 453.627 4.764 20 0 JJADHN COCc1ccc(CN2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cc1 ZINC001460995978 1067759925 /nfs/dbraw/zinc/75/99/25/1067759925.db2.gz ZKGYAEJNIBTVHZ-UHFFFAOYSA-N 0 3 452.595 4.997 20 0 JJADHN COc1ccc([C@H](CNCc2cc(Cl)c(OC(C)C)cc2Cl)N2CCOCC2)cc1 ZINC001461015293 1067762380 /nfs/dbraw/zinc/76/23/80/1067762380.db2.gz UUDWCBFHJLBTFW-QFIPXVFZSA-N 0 3 453.410 4.952 20 0 JJADHN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H](c1ccccc1)N1CCOCC1 ZINC001461018197 1067763081 /nfs/dbraw/zinc/76/30/81/1067763081.db2.gz FGXJSPTUJCRMLV-DEOSSOPVSA-N 0 3 453.030 4.871 20 0 JJADHN CC(C)NC(=O)Nc1ccc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001461081628 1067777680 /nfs/dbraw/zinc/77/76/80/1067777680.db2.gz GMDWOYADJAZHBD-UHFFFAOYSA-N 0 3 452.599 4.800 20 0 JJADHN FC(F)(F)c1ccn(-c2ccc(CNCc3cnc4ccc(Br)cn34)cc2)n1 ZINC001461105486 1067782737 /nfs/dbraw/zinc/78/27/37/1067782737.db2.gz QCZMOCZKJXENBO-UHFFFAOYSA-N 0 3 450.262 4.591 20 0 JJADHN CC(C)N(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001461117695 1067784882 /nfs/dbraw/zinc/78/48/82/1067784882.db2.gz YBVSXQUUFHNKCV-QHCPKHFHSA-N 0 3 452.595 4.532 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CNCCC(=O)N3CCCCCC3)n2)cc1 ZINC001461121402 1067785301 /nfs/dbraw/zinc/78/53/01/1067785301.db2.gz RJNYKOHJRMWNEO-UHFFFAOYSA-N 0 3 452.599 4.978 20 0 JJADHN C[C@@H](NC/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001461151347 1067789948 /nfs/dbraw/zinc/78/99/48/1067789948.db2.gz UQUWHAFVPWEJNO-OGECGYFKSA-N 0 3 450.604 4.880 20 0 JJADHN COc1c(Br)cc(Br)cc1CNCCOc1ccc(F)c(F)c1 ZINC001461193683 1067796749 /nfs/dbraw/zinc/79/67/49/1067796749.db2.gz WBXSEAKQIIOLGS-UHFFFAOYSA-N 0 3 451.105 4.667 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204578 1067799098 /nfs/dbraw/zinc/79/90/98/1067799098.db2.gz HQSLLXDTGGXLGO-NZQKXSOJSA-N 0 3 456.627 4.958 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNC[C@@H](O)c1c(F)cccc1Cl ZINC001461229234 1067805013 /nfs/dbraw/zinc/80/50/13/1067805013.db2.gz GTIJYWYDZLZWPW-LJQANCHMSA-N 0 3 452.755 4.867 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc(CNC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC001461264893 1067813880 /nfs/dbraw/zinc/81/38/80/1067813880.db2.gz RQCRDTJLVXGACI-NRFANRHFSA-N 0 3 458.908 4.904 20 0 JJADHN CC[C@H](NCc1c(Br)c2ccccc2n1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461282790 1067817592 /nfs/dbraw/zinc/81/75/92/1067817592.db2.gz VELHNKCZFFMZFQ-REWPJTCUSA-N 0 3 456.428 4.710 20 0 JJADHN Clc1nccc2cc(CNCc3ccc(Br)cc3N3CCOCC3)sc21 ZINC001461323028 1067828089 /nfs/dbraw/zinc/82/80/89/1067828089.db2.gz DDVUZBRHYZBWID-UHFFFAOYSA-N 0 3 452.805 4.839 20 0 JJADHN Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC001461335884 1067831293 /nfs/dbraw/zinc/83/12/93/1067831293.db2.gz WOHPSCCQGPZTQE-QGZVFWFLSA-N 0 3 453.892 4.674 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)cc2)CC1 ZINC001461346851 1067835282 /nfs/dbraw/zinc/83/52/82/1067835282.db2.gz TYZINFDEFKENFM-UHFFFAOYSA-N 0 3 455.908 4.627 20 0 JJADHN Cc1c(Br)cc(CNCc2ccc(N3CCOC3=O)cc2)cc1Br ZINC001461382412 1067843330 /nfs/dbraw/zinc/84/33/30/1067843330.db2.gz MEPSNRWZCNMZDV-UHFFFAOYSA-N 0 3 454.162 4.766 20 0 JJADHN COc1ccc(C[C@H](C)CNCc2ncc(Br)cc2Br)cc1OC ZINC001461409893 1067849069 /nfs/dbraw/zinc/84/90/69/1067849069.db2.gz UPHARGAQLVGLAY-LBPRGKRZSA-N 0 3 458.194 4.592 20 0 JJADHN CN(C)Cc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)c2c1OC(F)(F)O2 ZINC001461418470 1067851700 /nfs/dbraw/zinc/85/17/00/1067851700.db2.gz SBMOOVAUFKFBEA-UHFFFAOYSA-N 0 3 452.299 4.603 20 0 JJADHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421679 1067852674 /nfs/dbraw/zinc/85/26/74/1067852674.db2.gz YCAUSXFOSZIZQL-SSPYTLHUSA-N 0 3 453.631 4.899 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001461429948 1067853981 /nfs/dbraw/zinc/85/39/81/1067853981.db2.gz FOKXKEAQVCDTSS-JOCHJYFZSA-N 0 3 459.421 4.868 20 0 JJADHN Brc1ccc(-c2c[nH]c(CNC[C@@H]3CSCCN3Cc3ccccc3)n2)cc1 ZINC001461430397 1067854367 /nfs/dbraw/zinc/85/43/67/1067854367.db2.gz ALOCOWRUYKCDMQ-HXUWFJFHSA-N 0 3 457.441 4.546 20 0 JJADHN CCO[C@H]1C[C@](CO)(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430816 1067854387 /nfs/dbraw/zinc/85/43/87/1067854387.db2.gz ADHOPOXBLLRBHN-NZQKXSOJSA-N 0 3 451.394 4.901 20 0 JJADHN COc1cc(Br)ccc1[C@H](C)NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435661 1067855892 /nfs/dbraw/zinc/85/58/92/1067855892.db2.gz KNXQAGYNUYZBQD-AAEUAGOBSA-N 0 3 455.315 4.954 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNCCOc3ccc(Cl)c(F)c3)o2)C1 ZINC001461502874 1067877864 /nfs/dbraw/zinc/87/78/64/1067877864.db2.gz VNHFRBPWLPEYAS-INIZCTEOSA-N 0 3 452.954 4.799 20 0 JJADHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(Br)c(Br)c2)[C@@H]1n1cccn1 ZINC001461513696 1067879665 /nfs/dbraw/zinc/87/96/65/1067879665.db2.gz JVLJVBHPSIWQIK-BBWFWOEESA-N 0 3 457.210 4.695 20 0 JJADHN OC[C@@H](CNCc1c(Cl)cccc1OC(F)F)Cc1ccc(F)c(Br)c1 ZINC001461513778 1067880055 /nfs/dbraw/zinc/88/00/55/1067880055.db2.gz NVPTXCCINFUFEC-GFCCVEGCSA-N 0 3 452.698 4.784 20 0 JJADHN CN(C(=O)c1ccc(NCc2oc3ccccc3c2Br)cc1)[C@H]1CCCN(C)C1 ZINC001461564042 1067889157 /nfs/dbraw/zinc/88/91/57/1067889157.db2.gz IYZBGDCYTUQWSO-SFHVURJKSA-N 0 3 456.384 4.974 20 0 JJADHN Cc1ccc(Oc2cc(Br)ccc2CNCC2(CS(C)(=O)=O)CCC2)cc1 ZINC001461586107 1067894919 /nfs/dbraw/zinc/89/49/19/1067894919.db2.gz ZVJRFCYUTVJWJM-UHFFFAOYSA-N 0 3 452.414 4.854 20 0 JJADHN COc1cc(OC)c(OC)cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001461618486 1067902873 /nfs/dbraw/zinc/90/28/73/1067902873.db2.gz JRBIZYUYLPFGLB-NHCUHLMSSA-N 0 3 456.583 4.595 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648089 1067908891 /nfs/dbraw/zinc/90/88/91/1067908891.db2.gz UBYIRTQTTWVCQP-JOCHJYFZSA-N 0 3 459.421 4.850 20 0 JJADHN CN(C)C[C@H](NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674274 1067915470 /nfs/dbraw/zinc/91/54/70/1067915470.db2.gz DNYJDBAPJMUOKA-CVEARBPZSA-N 0 3 457.459 4.743 20 0 JJADHN CN(C)C[C@@H](NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674277 1067915556 /nfs/dbraw/zinc/91/55/56/1067915556.db2.gz DNYJDBAPJMUOKA-HZPDHXFCSA-N 0 3 457.459 4.743 20 0 JJADHN Cc1cc(Cl)ccc1Oc1ccc(F)cc1CNC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001461677935 1067916467 /nfs/dbraw/zinc/91/64/67/1067916467.db2.gz WXAUPUOAKBVKLZ-HSZRJFAPSA-N 0 3 455.961 4.965 20 0 JJADHN COc1cc(C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC001461692648 1067919604 /nfs/dbraw/zinc/91/96/04/1067919604.db2.gz MJRRDHZZZQGLDG-OAHLLOKOSA-N 0 3 457.409 4.679 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC001461697424 1067920417 /nfs/dbraw/zinc/92/04/17/1067920417.db2.gz KGHLEDCVQFNWMS-VWLOTQADSA-N 0 3 453.030 4.501 20 0 JJADHN O=C1OC[C@@]2(CNCc3ccc(Cl)cc3Oc3cc(Cl)ccc3Cl)COCCN12 ZINC001461702739 1067921836 /nfs/dbraw/zinc/92/18/36/1067921836.db2.gz ATJIBRGLSLDRLU-HXUWFJFHSA-N 0 3 457.741 4.750 20 0 JJADHN COc1cc(Cl)ccc1NC(=O)COc1ccc(CNC(C)(C)/C=C\Cl)cc1OC ZINC001461771089 1067933846 /nfs/dbraw/zinc/93/38/46/1067933846.db2.gz UZVPENONVWJISL-KTKRTIGZSA-N 0 3 453.366 4.995 20 0 JJADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]1CCCc1ccccc1 ZINC001461844565 1067945306 /nfs/dbraw/zinc/94/53/06/1067945306.db2.gz JYPFRFYOMVVGLP-PGRDOPGGSA-N 0 3 459.428 4.950 20 0 JJADHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(-c3cccc(F)c3F)o2)C(C)C)cc1 ZINC001461900603 1067958068 /nfs/dbraw/zinc/95/80/68/1067958068.db2.gz VVSTYFPRWHBONJ-LJQANCHMSA-N 0 3 458.505 4.834 20 0 JJADHN COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001461927147 1067962308 /nfs/dbraw/zinc/96/23/08/1067962308.db2.gz NTYGHUWPLPEWEB-UHFFFAOYSA-N 0 3 451.954 4.967 20 0 JJADHN COC(=O)c1cccc2c(CN3CCC(Oc4cccc(Br)c4)CC3)ccnc12 ZINC001462077170 1067997450 /nfs/dbraw/zinc/99/74/50/1067997450.db2.gz XXQYUCJMRWXVMB-UHFFFAOYSA-N 0 3 455.352 4.827 20 0 JJADHN CCc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cnn1CC(C)C ZINC001462107056 1068004828 /nfs/dbraw/zinc/00/48/28/1068004828.db2.gz IWFGDZLXLIRSMZ-IZZNHLLZSA-N 0 3 460.622 4.508 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113195 1068006876 /nfs/dbraw/zinc/00/68/76/1068006876.db2.gz WVJMGKYRLFWYHH-QLCOJLISSA-N 0 3 458.602 4.693 20 0 JJADHN CCN1CCN(c2cccc(NCc3nc(N(C)C)n(-c4ccc(C)cc4)c3Cl)c2)CC1 ZINC001462130062 1068011891 /nfs/dbraw/zinc/01/18/91/1068011891.db2.gz UDAPSYPYZYSUAW-UHFFFAOYSA-N 0 3 453.034 4.654 20 0 JJADHN C[C@H]1C[C@H](NCc2c(Br)cncc2Br)CN(Cc2ccccc2)C1 ZINC001462255828 1068038739 /nfs/dbraw/zinc/03/87/39/1068038739.db2.gz AMQKFOHJFLZNBV-HOCLYGCPSA-N 0 3 453.222 4.607 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001462310556 1068048903 /nfs/dbraw/zinc/04/89/03/1068048903.db2.gz BZTVOOMIYRWZST-UGKGYDQZSA-N 0 3 454.558 4.615 20 0 JJADHN CCOc1cc(C[NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cc(Br)c1[O-] ZINC001462330231 1068052248 /nfs/dbraw/zinc/05/22/48/1068052248.db2.gz BWRWBRAIWFUUKL-FUHWJXTLSA-N 0 3 473.333 4.673 20 0 JJADHN CC(C)(C)OC(=O)N1CC(O)(CNCc2ccccc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001462424939 1068071695 /nfs/dbraw/zinc/07/16/95/1068071695.db2.gz GWZWHHIBKMDHPT-UHFFFAOYSA-N 0 3 453.366 4.857 20 0 JJADHN Cc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(-c2cnn(C)c2)c1 ZINC001462425197 1068071746 /nfs/dbraw/zinc/07/17/46/1068071746.db2.gz FQAPYYFWHYZMJI-MSOLQXFVSA-N 0 3 453.222 4.723 20 0 JJADHN COc1ccc([C@H]2CCN(Cc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1F ZINC001462483372 1068083196 /nfs/dbraw/zinc/08/31/96/1068083196.db2.gz WPZUDNYGXBMTRZ-FQEVSTJZSA-N 0 3 458.574 4.975 20 0 JJADHN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C[C@]2(C)C1 ZINC001462578039 1068103264 /nfs/dbraw/zinc/10/32/64/1068103264.db2.gz UEYIWORHYUOWJL-WXVAWEFUSA-N 0 3 452.643 4.918 20 0 JJADHN CC(C)(C)OC(=O)N(CCN1CCC[C@@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620657 1068114277 /nfs/dbraw/zinc/11/42/77/1068114277.db2.gz HXUQJDMTIYQFDC-QFIPXVFZSA-N 0 3 455.437 4.768 20 0 JJADHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(Br)cc1Cl ZINC001462749360 1068154228 /nfs/dbraw/zinc/15/42/28/1068154228.db2.gz TZGLWLDAPIMGDK-UHFFFAOYSA-N 0 3 457.821 4.567 20 0 JJADHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc2ccccc2c1Br ZINC001462756925 1068157739 /nfs/dbraw/zinc/15/77/39/1068157739.db2.gz OJWHAJPHXQTDOO-UHFFFAOYSA-N 0 3 459.409 4.677 20 0 JJADHN CCC1(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)(C)C)CC2)CCCC1 ZINC001546134377 1068179639 /nfs/dbraw/zinc/17/96/39/1068179639.db2.gz URQYRTXMYNJZCC-UHFFFAOYSA-N 0 3 455.647 4.853 20 0 JJADHN CC(C)(C)c1nc2ccc(S(=O)(=O)NCC3CCN(Cc4ccccc4)CC3)cc2s1 ZINC001462897808 1068207625 /nfs/dbraw/zinc/20/76/25/1068207625.db2.gz WONZBRUGYJWFOH-UHFFFAOYSA-N 0 3 457.665 4.784 20 0 JJADHN CC(C)C[C@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)[NH2+][C@@H](C)c1ccccc1 ZINC001463073757 1068277809 /nfs/dbraw/zinc/27/78/09/1068277809.db2.gz KICUAPYEHMMCRL-DOTOQJQBSA-N 0 3 452.045 4.994 20 0 JJADHN Cc1csc(C(C)(C)NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)n1 ZINC001463075638 1068278567 /nfs/dbraw/zinc/27/85/67/1068278567.db2.gz OZUZQZXIWWUYOB-XZOQPEGZSA-N 0 3 469.676 4.583 20 0 JJADHN Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1Cl ZINC001463224353 1068326332 /nfs/dbraw/zinc/32/63/32/1068326332.db2.gz HKTUOASLZUFVMI-JOCHJYFZSA-N 0 3 453.435 4.979 20 0 JJADHN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264516 1068338872 /nfs/dbraw/zinc/33/88/72/1068338872.db2.gz CQOYDBQMJHRYMO-OJJQZRKESA-N 0 3 458.693 4.557 20 0 JJADHN CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CCN(Cc2ccccc2)CC1 ZINC001463362422 1068371980 /nfs/dbraw/zinc/37/19/80/1068371980.db2.gz AHTRZDZBDYNPPT-OAQYLSRUSA-N 0 3 454.014 4.596 20 0 JJADHN COc1ccc([C@@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC001463562000 1068444059 /nfs/dbraw/zinc/44/40/59/1068444059.db2.gz GQFBLHCNMMFALK-HTAPYJJXSA-N 0 3 450.501 4.726 20 0 JJADHN CCOc1ccc(S(=O)(=O)N2CC(C)(C)[C@H]2C2CCN(Cc3ccccc3)CC2)cc1C ZINC001463743887 1068510298 /nfs/dbraw/zinc/51/02/98/1068510298.db2.gz COZZPZCPHJQPIL-RUZDIDTESA-N 0 3 456.652 4.705 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001463760663 1068516008 /nfs/dbraw/zinc/51/60/08/1068516008.db2.gz FYKWSTLKFXEINE-JOCHJYFZSA-N 0 3 453.384 4.510 20 0 JJADHN CN(C)[C@H](CNC(=O)c1csc(-c2ccc(Br)s2)n1)Cc1ccccc1 ZINC001463769087 1068518266 /nfs/dbraw/zinc/51/82/66/1068518266.db2.gz HZYMRTRWTZNMGV-AWEZNQCLSA-N 0 3 450.427 4.537 20 0 JJADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463832186 1068540638 /nfs/dbraw/zinc/54/06/38/1068540638.db2.gz DTSVXMZLPKCBLN-DQEYMECFSA-N 0 3 450.689 4.534 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)Cn1c2ccccc2nc1-c1ccccc1)c1cccc(OC)c1 ZINC001463911014 1068563102 /nfs/dbraw/zinc/56/31/02/1068563102.db2.gz DNKAYMFQHJSKNN-SANMLTNESA-N 0 3 456.590 4.911 20 0 JJADHN CC(C)(C)O[C@H]1C[C@H](NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001463975144 1068579820 /nfs/dbraw/zinc/57/98/20/1068579820.db2.gz JASYJRUMJGXYOP-NEWJYFPISA-N 0 3 477.070 4.574 20 0 JJADHN CC[C@@H](CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1)N1CCc2ccccc2C1 ZINC001464103054 1068616206 /nfs/dbraw/zinc/61/62/06/1068616206.db2.gz XGKUSUIODUXEIM-BJKOFHAPSA-N 0 3 457.659 4.803 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)c1 ZINC001464103888 1068616866 /nfs/dbraw/zinc/61/68/66/1068616866.db2.gz SPNPKDJJYKBMSY-FQEVSTJZSA-N 0 3 458.444 4.580 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cc4c([nH]3)c(Br)ccc4C)cc2)CC1 ZINC001464125829 1068624257 /nfs/dbraw/zinc/62/42/57/1068624257.db2.gz NVRHBLUSUIDQBP-UHFFFAOYSA-N 0 3 455.400 4.629 20 0 JJADHN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@H](C)N3CCCCCC3)cc2)cc1 ZINC001464222215 1068663766 /nfs/dbraw/zinc/66/37/66/1068663766.db2.gz GLNFWEBADZPKRD-QFIPXVFZSA-N 0 3 451.611 4.673 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)/C=C/c2ccc(C)cc2)cc1 ZINC001464225510 1068665077 /nfs/dbraw/zinc/66/50/77/1068665077.db2.gz DSSNNQNCCJGFCI-WKKBHVDPSA-N 0 3 462.615 4.562 20 0 JJADHN Cc1cccc(Oc2ccc(C(=O)NCCCCN3CCN(Cc4ccccc4)CC3)nc2)c1 ZINC001464281135 1068689463 /nfs/dbraw/zinc/68/94/63/1068689463.db2.gz LRSNKOOUIPVSHT-UHFFFAOYSA-N 0 3 458.606 4.510 20 0 JJADHN CO[C@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1ccc(Br)s1 ZINC001464395041 1068730361 /nfs/dbraw/zinc/73/03/61/1068730361.db2.gz AQQPKJVCNQPWCW-XLIONFOSSA-N 0 3 451.430 4.788 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464501496 1068767310 /nfs/dbraw/zinc/76/73/10/1068767310.db2.gz XILWZBMYCDQZEL-QFBILLFUSA-N 0 3 459.553 4.850 20 0 JJADHN Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1NC(=O)NC(C)(C)C ZINC001464565823 1068783577 /nfs/dbraw/zinc/78/35/77/1068783577.db2.gz PPGLGZADSMFPLU-UHFFFAOYSA-N 0 3 454.640 4.759 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)N2CCCC2)cc1 ZINC001464598786 1068794856 /nfs/dbraw/zinc/79/48/56/1068794856.db2.gz UFIMEQHIEUKGGE-PXNSSMCTSA-N 0 3 458.628 4.604 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)cc2Br)N2CCCC2)cc1 ZINC001464600308 1068795270 /nfs/dbraw/zinc/79/52/70/1068795270.db2.gz YAXFIVMLXFNZQC-NRFANRHFSA-N 0 3 453.384 4.510 20 0 JJADHN CCCN(C(=O)c1n[nH]c2ccc(Br)cc21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464674371 1068820310 /nfs/dbraw/zinc/82/03/10/1068820310.db2.gz KDRLMPFHDMXRDI-LJQANCHMSA-N 0 3 455.400 4.842 20 0 JJADHN FC(F)(c1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164389835 718825791 /nfs/dbraw/zinc/82/57/91/718825791.db2.gz JURNFECOIQUCQT-DLBZAZTESA-N 0 3 476.980 4.612 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC2)CC1 ZINC001164618040 719032196 /nfs/dbraw/zinc/03/21/96/719032196.db2.gz RIPLEMYROZEGQR-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630149 719095301 /nfs/dbraw/zinc/09/53/01/719095301.db2.gz VPVMXYCMZBVLMK-PMACEKPBSA-N 0 3 455.940 4.838 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629865 719101578 /nfs/dbraw/zinc/10/15/78/719101578.db2.gz TZAOTUQRXUFJQE-AZUAARDMSA-N 0 3 455.940 4.838 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)c2c1CCNC2 ZINC001164679600 719645170 /nfs/dbraw/zinc/64/51/70/719645170.db2.gz IKILJNWPDBBORY-UHFFFAOYSA-N 0 3 463.935 4.821 20 0 JJADHN CC(C)n1nc(CN(c2nccs2)c2nc(Cl)ccc2CN2CCCC2)c2c1CNCC2 ZINC001164710758 720091553 /nfs/dbraw/zinc/09/15/53/720091553.db2.gz LWQTVJJCDNSMSN-UHFFFAOYSA-N 0 3 472.062 4.549 20 0 JJADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735094 720464017 /nfs/dbraw/zinc/46/40/17/720464017.db2.gz VYEUMVXRBBRGKS-GOTSBHOMSA-N 0 3 470.646 4.668 20 0 JJADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735095 720465175 /nfs/dbraw/zinc/46/51/75/720465175.db2.gz VYEUMVXRBBRGKS-PKTZIBPZSA-N 0 3 470.646 4.668 20 0 JJADHN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164736493 720582073 /nfs/dbraw/zinc/58/20/73/720582073.db2.gz LTIDCGDKPHACSO-UHFFFAOYSA-N 0 3 489.627 4.943 20 0 JJADHN Clc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742584 720692971 /nfs/dbraw/zinc/69/29/71/720692971.db2.gz VUJGFMLUNJLSOZ-VXKWHMMOSA-N 0 3 484.991 4.596 20 0 JJADHN COc1ccccc1-c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c(Cl)nn1 ZINC001164844382 720740170 /nfs/dbraw/zinc/74/01/70/720740170.db2.gz QXGQINUHYWHRBF-UHFFFAOYSA-N 0 3 488.970 4.599 20 0 JJADHN Fc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164843935 720740932 /nfs/dbraw/zinc/74/09/32/720740932.db2.gz MSJIPMJBHAVNOE-UHFFFAOYSA-N 0 3 476.934 4.730 20 0 JJADHN COC[C@]12CCC[C@@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849624 720790820 /nfs/dbraw/zinc/79/08/20/720790820.db2.gz SEHRAJBHVSGWHJ-FQRUVTKNSA-N 0 3 482.024 4.650 20 0 JJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2C ZINC001164859687 721002995 /nfs/dbraw/zinc/00/29/95/721002995.db2.gz LJIMCQMRXYZQLI-LJQANCHMSA-N 0 3 493.725 4.784 20 0 JJADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164870322 721168274 /nfs/dbraw/zinc/16/82/74/721168274.db2.gz CNFHURPKLZXYDP-XZOQPEGZSA-N 0 3 476.024 4.551 20 0 JJADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769481 721222864 /nfs/dbraw/zinc/22/28/64/721222864.db2.gz MNOZWMXFDNPGPP-RRPNLBNLSA-N 0 3 464.617 4.811 20 0 JJADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164769482 721223251 /nfs/dbraw/zinc/22/32/51/721223251.db2.gz MNOZWMXFDNPGPP-SVBPBHIXSA-N 0 3 464.617 4.811 20 0 JJADHN FC1(F)CCN(c2cc(Cl)nnc2-c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904898 721704928 /nfs/dbraw/zinc/70/49/28/721704928.db2.gz FJONYUTUXSFBAU-HSZRJFAPSA-N 0 3 455.940 4.930 20 0 JJADHN O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc21 ZINC001164907378 721720350 /nfs/dbraw/zinc/72/03/50/721720350.db2.gz RHRNCBORYKYVOT-MHZLTWQESA-N 0 3 487.554 4.858 20 0 JJADHN CCN(c1ccccc1)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164910585 721731349 /nfs/dbraw/zinc/73/13/49/721731349.db2.gz GNLDJRCUENHGCQ-RUZDIDTESA-N 0 3 464.564 4.767 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccccn3)nc3sccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912608 721732729 /nfs/dbraw/zinc/73/27/29/721732729.db2.gz OTTWLSFPHYYWAB-DEOSSOPVSA-N 0 3 478.572 4.886 20 0 JJADHN Fc1ccc(F)c2c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164966675 722062531 /nfs/dbraw/zinc/06/25/31/722062531.db2.gz WNDXEDRWPJQGMZ-UHFFFAOYSA-N 0 3 458.940 4.680 20 0 JJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164979125 722111532 /nfs/dbraw/zinc/11/15/32/722111532.db2.gz PDNFUZFKYFRJMQ-ISKFKSNPSA-N 0 3 471.630 4.789 20 0 JJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981175 722126389 /nfs/dbraw/zinc/12/63/89/722126389.db2.gz UCCNWHMXTWSPIS-FPOVZHCZSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975191 722130496 /nfs/dbraw/zinc/13/04/96/722130496.db2.gz FKCAVJHFHPOTAZ-KNQAVFIVSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164972594 722138988 /nfs/dbraw/zinc/13/89/88/722138988.db2.gz AEOWXQCTLXMBBC-IGKIAQTJSA-N 0 3 465.601 4.728 20 0 JJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973225 722141699 /nfs/dbraw/zinc/14/16/99/722141699.db2.gz BNVAKLATDQXLAJ-FPOVZHCZSA-N 0 3 477.659 4.851 20 0 JJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164980264 722141706 /nfs/dbraw/zinc/14/17/06/722141706.db2.gz MITYTUGLKATBKA-ATIYNZHBSA-N 0 3 469.564 4.558 20 0 JJADHN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976033 722143072 /nfs/dbraw/zinc/14/30/72/722143072.db2.gz GRIIOCHNLCRHOA-PXNSSMCTSA-N 0 3 491.995 4.526 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164978117 722148015 /nfs/dbraw/zinc/14/80/15/722148015.db2.gz JZJLZSSKCGMBHN-YTMVLYRLSA-N 0 3 477.612 4.933 20 0 JJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164980917 722148409 /nfs/dbraw/zinc/14/84/09/722148409.db2.gz NTQXWRVMVLDZLT-URXFXBBRSA-N 0 3 464.013 4.536 20 0 JJADHN CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164977190 722156641 /nfs/dbraw/zinc/15/66/41/722156641.db2.gz YEVPTYQZNMXSAA-URXFXBBRSA-N 0 3 480.012 4.607 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972116 722158075 /nfs/dbraw/zinc/15/80/75/722158075.db2.gz FRXVGZYVRVOGBR-GCJKJVERSA-N 0 3 474.939 4.662 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164972463 722158167 /nfs/dbraw/zinc/15/81/67/722158167.db2.gz HXNYTNOBIHAFRX-URXFXBBRSA-N 0 3 499.993 4.773 20 0 JJADHN CC(C)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001359738961 1064304439 /nfs/dbraw/zinc/30/44/39/1064304439.db2.gz HYXADLVKNCKPOK-UTKZUKDTSA-N 0 3 489.437 4.960 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880341 1064313197 /nfs/dbraw/zinc/31/31/97/1064313197.db2.gz BBGZRJBPBFTGBJ-OSVUJJKXSA-N 0 3 455.643 4.658 20 0 JJADHN CC(C)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001359743872 1064314871 /nfs/dbraw/zinc/31/48/71/1064314871.db2.gz ULLVPASKTWHDOA-UHFFFAOYSA-N 0 3 466.718 4.951 20 0 JJADHN Cc1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883976 1064316059 /nfs/dbraw/zinc/31/60/59/1064316059.db2.gz QCUPZDUPGWFAEG-XLIONFOSSA-N 0 3 453.384 4.509 20 0 JJADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1nc2ccccc2cc1Br ZINC001434920569 1064348067 /nfs/dbraw/zinc/34/80/67/1064348067.db2.gz DPYRSEWOOMXVJU-UHFFFAOYSA-N 0 3 456.409 4.841 20 0 JJADHN CN(C)CCN(C(=O)c1ccc2c(c1)[C@@H](CNC(=O)OC(C)(C)C)CCC2)c1ccccc1 ZINC001434925466 1064353825 /nfs/dbraw/zinc/35/38/25/1064353825.db2.gz VLSNCUNIVLNQFO-JOCHJYFZSA-N 0 3 451.611 4.840 20 0 JJADHN CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001434976484 1064391980 /nfs/dbraw/zinc/39/19/80/1064391980.db2.gz LTAXKLHQFYRKOJ-JOCHJYFZSA-N 0 3 456.428 4.779 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c1 ZINC001435034182 1064450918 /nfs/dbraw/zinc/45/09/18/1064450918.db2.gz GFYDMIWNYOOGGA-UHFFFAOYSA-N 0 3 454.977 4.666 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)c1 ZINC001435034409 1064451883 /nfs/dbraw/zinc/45/18/83/1064451883.db2.gz IHVIXCVQTDERIN-UHFFFAOYSA-N 0 3 455.002 4.596 20 0 JJADHN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001359793718 1064452072 /nfs/dbraw/zinc/45/20/72/1064452072.db2.gz QZFBTNYXXTWXGW-IHPCNDPISA-N 0 3 459.685 4.869 20 0 JJADHN CN(C)C(=O)Sc1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC001359799930 1064466841 /nfs/dbraw/zinc/46/68/41/1064466841.db2.gz YWRVGHDBEAVUQI-NRFANRHFSA-N 0 3 451.514 4.853 20 0 JJADHN Cc1ccc(CC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC001435061842 1064479647 /nfs/dbraw/zinc/47/96/47/1064479647.db2.gz ANECOGRVNCIDGB-UHFFFAOYSA-N 0 3 457.334 4.909 20 0 JJADHN CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001359809325 1064483439 /nfs/dbraw/zinc/48/34/39/1064483439.db2.gz NKCBXWMOECVPSO-HSZRJFAPSA-N 0 3 484.689 4.521 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435064325 1064483574 /nfs/dbraw/zinc/48/35/74/1064483574.db2.gz NZKUMEHPWJYRRW-IBGZPJMESA-N 0 3 452.039 4.658 20 0 JJADHN O=C(c1ccc(Cn2cccn2)cc1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001435064687 1064484282 /nfs/dbraw/zinc/48/42/82/1064484282.db2.gz MKKJFEFHVSDXKE-UHFFFAOYSA-N 0 3 457.405 4.976 20 0 JJADHN CC(C)Cc1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001359815504 1064496442 /nfs/dbraw/zinc/49/64/42/1064496442.db2.gz MZFSVZRGTZZQPW-JOCHJYFZSA-N 0 3 485.673 4.554 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001359832705 1064516815 /nfs/dbraw/zinc/51/68/15/1064516815.db2.gz NSBZBFGRKBOLTI-NHCUHLMSSA-N 0 3 489.590 4.836 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359833470 1064519129 /nfs/dbraw/zinc/51/91/29/1064519129.db2.gz YAUROBHHCOHPMJ-PKTZIBPZSA-N 0 3 484.689 4.615 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001359834527 1064520815 /nfs/dbraw/zinc/52/08/15/1064520815.db2.gz FUGBYKDNUSMMDS-DEOSSOPVSA-N 0 3 453.675 4.709 20 0 JJADHN Cc1c2cc(Br)ccc2oc1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001359851121 1064538372 /nfs/dbraw/zinc/53/83/72/1064538372.db2.gz DYGAYVOVBANLPM-UHFFFAOYSA-N 0 3 451.311 4.986 20 0 JJADHN COc1ccc(-c2nc(C)sc2CC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC001359851205 1064538610 /nfs/dbraw/zinc/53/86/10/1064538610.db2.gz HIRAZRCBNJRRHF-UHFFFAOYSA-N 0 3 459.562 4.538 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccnc(Oc2ccccc2F)c1 ZINC001359859008 1064546597 /nfs/dbraw/zinc/54/65/97/1064546597.db2.gz YYDWDYSSJXTBNW-UHFFFAOYSA-N 0 3 466.605 4.629 20 0 JJADHN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CC2)CC1 ZINC001359891147 1064591084 /nfs/dbraw/zinc/59/10/84/1064591084.db2.gz YKLRNVHXPYSJCW-DEOSSOPVSA-N 0 3 480.484 4.971 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(F)(F)F)cc1 ZINC001359954993 1064722841 /nfs/dbraw/zinc/72/28/41/1064722841.db2.gz PBPCTSYVNXVSTD-UHFFFAOYSA-N 0 3 453.553 4.710 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(Cl)c(F)cc2Br)cc1 ZINC001545890520 1064726805 /nfs/dbraw/zinc/72/68/05/1064726805.db2.gz DOQPAXBBGIVXGN-LJQANCHMSA-N 0 3 455.755 4.817 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2C2CC(C(C)(C)C)C2)CC1 ZINC001360014536 1064812920 /nfs/dbraw/zinc/81/29/20/1064812920.db2.gz HCGJVJHJNUKIHX-UHFFFAOYSA-N 0 3 477.495 4.821 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360014983 1064813886 /nfs/dbraw/zinc/81/38/86/1064813886.db2.gz LNZBFQWSGZZGON-JIPXPUAJSA-N 0 3 487.664 4.667 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360017311 1064817085 /nfs/dbraw/zinc/81/70/85/1064817085.db2.gz CWNCKIILYLCWQL-VQTJNVASSA-N 0 3 477.600 4.530 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2CC(F)(F)C2)CC1 ZINC001360017157 1064817142 /nfs/dbraw/zinc/81/71/42/1064817142.db2.gz AUKYUQVBCNRSNR-UHFFFAOYSA-N 0 3 486.380 4.670 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001360017602 1064817850 /nfs/dbraw/zinc/81/78/50/1064817850.db2.gz HDXGMILSCXZSHD-UHFFFAOYSA-N 0 3 469.033 4.607 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCOC[C@H]2CCCO2)CC1 ZINC001360017625 1064818604 /nfs/dbraw/zinc/81/86/04/1064818604.db2.gz HLJTYKZGKRUYRI-RUZDIDTESA-N 0 3 483.701 4.606 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001360018084 1064819432 /nfs/dbraw/zinc/81/94/32/1064819432.db2.gz MIWHFNQSMBAXRY-ZWKOTPCHSA-N 0 3 496.519 4.752 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CC=CCC2)CC1 ZINC001360018809 1064821193 /nfs/dbraw/zinc/82/11/93/1064821193.db2.gz UQVNBXWIRVFCJH-IBGZPJMESA-N 0 3 458.448 4.842 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001360018810 1064821228 /nfs/dbraw/zinc/82/12/28/1064821228.db2.gz UQVNBXWIRVFCJH-LJQANCHMSA-N 0 3 458.448 4.842 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Br)ccc1Br ZINC001360019532 1064822720 /nfs/dbraw/zinc/82/27/20/1064822720.db2.gz RTRCYRKBTVGKSG-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCCSC2)CC1 ZINC001360021889 1064826140 /nfs/dbraw/zinc/82/61/40/1064826140.db2.gz URHLWFZZKHBAKR-SFHVURJKSA-N 0 3 478.504 4.629 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001360024888 1064827530 /nfs/dbraw/zinc/82/75/30/1064827530.db2.gz NIJBMMUEYKMKJE-RJGXRXQPSA-N 0 3 488.721 4.607 20 0 JJADHN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC001435554642 1064827739 /nfs/dbraw/zinc/82/77/39/1064827739.db2.gz HANQPEZCHQHIIJ-DEOSSOPVSA-N 0 3 456.512 4.560 20 0 JJADHN CC1(C)CN(C2(CNC(=O)Cc3c(Cl)cccc3Br)CCCCC2)CCO1 ZINC001360027453 1064829215 /nfs/dbraw/zinc/82/92/15/1064829215.db2.gz UDBTXADSDOBTIC-UHFFFAOYSA-N 0 3 457.840 4.575 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001360030271 1064831796 /nfs/dbraw/zinc/83/17/96/1064831796.db2.gz GXXCWKBMTMKJQO-IRLDBZIGSA-N 0 3 460.066 4.506 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC2CCCCCC2)CC1 ZINC001360030527 1064832780 /nfs/dbraw/zinc/83/27/80/1064832780.db2.gz LAWIMNFHIXTFTH-UHFFFAOYSA-N 0 3 457.638 4.525 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001360030327 1064833024 /nfs/dbraw/zinc/83/30/24/1064833024.db2.gz IGZAQPFMNZYHSP-GOSISDBHSA-N 0 3 459.063 4.561 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001360032406 1064834675 /nfs/dbraw/zinc/83/46/75/1064834675.db2.gz MTHQCRYUZKNADH-UHFFFAOYSA-N 0 3 453.320 4.661 20 0 JJADHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)ccc1NC(=O)c1cccs1 ZINC001360032502 1064835376 /nfs/dbraw/zinc/83/53/76/1064835376.db2.gz OSJKHKDMWDWAIB-UHFFFAOYSA-N 0 3 457.546 4.791 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001360033703 1064837112 /nfs/dbraw/zinc/83/71/12/1064837112.db2.gz IMKUBYSGLYXYOX-SKBVVQJISA-N 0 3 497.728 4.828 20 0 JJADHN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037180 1064846040 /nfs/dbraw/zinc/84/60/40/1064846040.db2.gz BWDFEBRWLQQVKS-UHFFFAOYSA-N 0 3 450.892 4.745 20 0 JJADHN O=C(c1cc(Br)cnc1Cl)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037442 1064846635 /nfs/dbraw/zinc/84/66/35/1064846635.db2.gz KKDRCEALCJQIHI-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CN(C)c1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001435617461 1064880113 /nfs/dbraw/zinc/88/01/13/1064880113.db2.gz QCYVTISVDVSFSQ-FQEVSTJZSA-N 0 3 457.500 4.667 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)CC1 ZINC001360087239 1064951326 /nfs/dbraw/zinc/95/13/26/1064951326.db2.gz IXSVRBIOLGOGBA-UHFFFAOYSA-N 0 3 453.652 4.882 20 0 JJADHN CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001435806851 1065002126 /nfs/dbraw/zinc/00/21/26/1065002126.db2.gz GWWURQXMJXYNLR-FQEVSTJZSA-N 0 3 454.665 4.832 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1C ZINC001435881871 1065042512 /nfs/dbraw/zinc/04/25/12/1065042512.db2.gz DPMQAEGFUHFDPC-UHFFFAOYSA-N 0 3 452.002 4.683 20 0 JJADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156090 1065058102 /nfs/dbraw/zinc/05/81/02/1065058102.db2.gz PXCBLYASSRGGMD-HXUWFJFHSA-N 0 3 484.998 4.546 20 0 JJADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1csc(-c2ccccc2Cl)n1 ZINC001360160550 1065059391 /nfs/dbraw/zinc/05/93/91/1065059391.db2.gz IZYAVGBKYNMVTQ-UHFFFAOYSA-N 0 3 454.983 4.541 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC001435973317 1065087615 /nfs/dbraw/zinc/08/76/15/1065087615.db2.gz FBXKJVGUXNSXNR-UHFFFAOYSA-N 0 3 457.500 4.594 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975763 1065088539 /nfs/dbraw/zinc/08/85/39/1065088539.db2.gz MEKZCJFKVXOQSA-PKTZIBPZSA-N 0 3 458.647 4.631 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c2)CC1 ZINC001435976509 1065089167 /nfs/dbraw/zinc/08/91/67/1065089167.db2.gz QABYUYZMRFNALW-UHFFFAOYSA-N 0 3 458.393 4.882 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3oc(Br)cc3C)c(OCC)c2)CC1 ZINC001436102270 1065181355 /nfs/dbraw/zinc/18/13/55/1065181355.db2.gz MECCRFUPZXZTAN-UHFFFAOYSA-N 0 3 450.377 4.534 20 0 JJADHN CC(C)OCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360376924 1065236853 /nfs/dbraw/zinc/23/68/53/1065236853.db2.gz RWVGVGXXPUWTLW-UHFFFAOYSA-N 0 3 465.589 4.672 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001436197538 1065244605 /nfs/dbraw/zinc/24/46/05/1065244605.db2.gz JPAPDTDVNQZQLZ-VXKWHMMOSA-N 0 3 450.410 4.760 20 0 JJADHN C/C(=C\C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387224 1065251641 /nfs/dbraw/zinc/25/16/41/1065251641.db2.gz DATARZNEMVHLCK-XEPMYJLFSA-N 0 3 459.512 4.914 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC001360388414 1065253085 /nfs/dbraw/zinc/25/30/85/1065253085.db2.gz TZVVLNBSJDRZDX-AREMUKBSSA-N 0 3 455.602 4.890 20 0 JJADHN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1NC(=O)c1ccccc1F ZINC001436281613 1065286458 /nfs/dbraw/zinc/28/64/58/1065286458.db2.gz VBZNJYMVIXSHAM-FQEVSTJZSA-N 0 3 459.565 4.981 20 0 JJADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360440492 1065324299 /nfs/dbraw/zinc/32/42/99/1065324299.db2.gz SMUJLOYENSBOOX-JWFZFVAPSA-N 0 3 494.690 4.639 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360465657 1065374465 /nfs/dbraw/zinc/37/44/65/1065374465.db2.gz XUJWEOANZWCDEM-NRFANRHFSA-N 0 3 455.643 4.537 20 0 JJADHN C[C@H](SCc1ccccc1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436606830 1065395823 /nfs/dbraw/zinc/39/58/23/1065395823.db2.gz ZXGMXMOVNQHXKR-FQEVSTJZSA-N 0 3 458.071 4.775 20 0 JJADHN Cc1nn(-c2ccc(C(=O)NC[C@@H](C)N(C)Cc3ccccc3)cc2)c(C)c1Br ZINC001360511715 1065458263 /nfs/dbraw/zinc/45/82/63/1065458263.db2.gz UHAYHBAHTDYQDK-MRXNPFEDSA-N 0 3 455.400 4.502 20 0 JJADHN COc1ccc(-c2cc(C(=O)NC[C@H](C)N(C)Cc3ccccc3)nn2-c2ccccc2)cc1 ZINC001360511863 1065458346 /nfs/dbraw/zinc/45/83/46/1065458346.db2.gz WAMCHBMDNPXEPP-NRFANRHFSA-N 0 3 454.574 4.798 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(OC)cc2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545904061 1065496914 /nfs/dbraw/zinc/49/69/14/1065496914.db2.gz NMTKCYMVXWJHDR-PXDATVDWSA-N 0 3 496.700 4.667 20 0 JJADHN CCc1nc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001437029121 1065498888 /nfs/dbraw/zinc/49/88/88/1065498888.db2.gz LUDMSTFUENWEGN-HXUWFJFHSA-N 0 3 452.002 4.608 20 0 JJADHN C[C@H](CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccs1)N(C)C)c1nccs1 ZINC001360525316 1065501624 /nfs/dbraw/zinc/50/16/24/1065501624.db2.gz SFHOQYBHZAGHCW-KZNAEPCWSA-N 0 3 460.673 4.581 20 0 JJADHN CCCCCCOc1ccc(CC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001437368939 1065543015 /nfs/dbraw/zinc/54/30/15/1065543015.db2.gz BPXFWGJYGOKSGJ-KAYWLYCHSA-N 0 3 450.623 4.690 20 0 JJADHN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001360581603 1065578949 /nfs/dbraw/zinc/57/89/49/1065578949.db2.gz FPUPGLYCEFZQSP-QFIPXVFZSA-N 0 3 498.716 4.629 20 0 JJADHN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001437748814 1065599901 /nfs/dbraw/zinc/59/99/01/1065599901.db2.gz UCJQKNQKEBFCDF-XMMPIXPASA-N 0 3 456.030 4.621 20 0 JJADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001437773688 1065603734 /nfs/dbraw/zinc/60/37/34/1065603734.db2.gz ZXJOPYMFTQTKAB-OAHLLOKOSA-N 0 3 454.423 4.832 20 0 JJADHN Cc1c(C(=O)N(Cc2cccc(Cl)c2)CC(C)C)nnn1-c1cccc2c1CCN(C)C2 ZINC001438002832 1065643987 /nfs/dbraw/zinc/64/39/87/1065643987.db2.gz OUMFOPDLVZSBAN-UHFFFAOYSA-N 0 3 452.002 4.515 20 0 JJADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001360641340 1065713684 /nfs/dbraw/zinc/71/36/84/1065713684.db2.gz GYKHNSWFYDKCBH-XUZZJYLKSA-N 0 3 496.700 4.807 20 0 JJADHN O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357706 1065715714 /nfs/dbraw/zinc/71/57/14/1065715714.db2.gz KFSRDUCQRAPTGT-IBGZPJMESA-N 0 3 458.393 4.749 20 0 JJADHN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001360658757 1065727919 /nfs/dbraw/zinc/72/79/19/1065727919.db2.gz PEHVVUGLJLIJSY-GMAHTHKFSA-N 0 3 458.002 4.548 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001360727017 1065754089 /nfs/dbraw/zinc/75/40/89/1065754089.db2.gz LIMRRVJDKYDPCM-RUZDIDTESA-N 0 3 460.066 4.850 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360749066 1065791457 /nfs/dbraw/zinc/79/14/57/1065791457.db2.gz KZNFCKFEBZSCTN-WIYYLYMNSA-N 0 3 495.590 4.540 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001360749064 1065791524 /nfs/dbraw/zinc/79/15/24/1065791524.db2.gz KZNFCKFEBZSCTN-NQIIRXRSSA-N 0 3 495.590 4.540 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCC1=CCCCC1 ZINC001545920918 1065794543 /nfs/dbraw/zinc/79/45/43/1065794543.db2.gz CVOKJKQIILGRNO-UHFFFAOYSA-N 0 3 470.706 4.788 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCc1ccc(C)cc1C ZINC001545921024 1065796107 /nfs/dbraw/zinc/79/61/07/1065796107.db2.gz GSPPYRBPSMRTEL-UHFFFAOYSA-N 0 3 494.728 4.757 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001360760052 1065830401 /nfs/dbraw/zinc/83/04/01/1065830401.db2.gz GSCAGAQDSLLUIO-ZJOUEHCJSA-N 0 3 476.065 4.543 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN1CCCCC1 ZINC001360765353 1065849841 /nfs/dbraw/zinc/84/98/41/1065849841.db2.gz PSYYUQFGJSKYME-SFHVURJKSA-N 0 3 472.996 4.728 20 0 JJADHN CC(C)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001360772259 1065869571 /nfs/dbraw/zinc/86/95/71/1065869571.db2.gz AOFHZLCXDUHUFR-FQEVSTJZSA-N 0 3 473.637 4.540 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360774864 1065875455 /nfs/dbraw/zinc/87/54/55/1065875455.db2.gz UVIPFSWMUWAMOL-ZRCGQRJVSA-N 0 3 473.637 4.540 20 0 JJADHN Cc1sc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)nc1Br ZINC001440184440 1065922489 /nfs/dbraw/zinc/92/24/89/1065922489.db2.gz CVESMBKFTZCIRZ-HUUCEWRRSA-N 0 3 463.426 4.525 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(C)CCCC2)CC1 ZINC001360838549 1065949432 /nfs/dbraw/zinc/94/94/32/1065949432.db2.gz LEWTYDJLBZDSDT-UHFFFAOYSA-N 0 3 488.721 4.893 20 0 JJADHN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC001440585777 1065951745 /nfs/dbraw/zinc/95/17/45/1065951745.db2.gz DGAHARTVVABNOU-SANMLTNESA-N 0 3 454.574 4.889 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2Br)N(C)C)cc1 ZINC001440675604 1065962280 /nfs/dbraw/zinc/96/22/80/1065962280.db2.gz WVRZSIKWXBNXOM-GOSISDBHSA-N 0 3 454.206 4.807 20 0 JJADHN CCN(CC)[C@H](CNC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cccc(OC)c1 ZINC001440881223 1065988565 /nfs/dbraw/zinc/98/85/65/1065988565.db2.gz QKZJEKCGNDNMHH-HSZRJFAPSA-N 0 3 455.599 4.784 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1cccc(OC)c1 ZINC001440882608 1065988813 /nfs/dbraw/zinc/98/88/13/1065988813.db2.gz SLHUOOQTCCOGNE-RUZDIDTESA-N 0 3 458.562 4.954 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001360872875 1066007253 /nfs/dbraw/zinc/00/72/53/1066007253.db2.gz AMNKUGAUTHIRDU-JWQCQUIFSA-N 0 3 496.744 4.933 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189530 1066013596 /nfs/dbraw/zinc/01/35/96/1066013596.db2.gz SQRGSYCGKHCOQQ-NDEPHWFRSA-N 0 3 458.602 4.732 20 0 JJADHN CC[C@H](CNC(=O)c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1)N1CCc2ccccc2C1 ZINC001441241297 1066019167 /nfs/dbraw/zinc/01/91/67/1066019167.db2.gz NTQUVEKZZVJBLE-NTKDMRAZSA-N 0 3 451.611 4.839 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876841 1066021380 /nfs/dbraw/zinc/02/13/80/1066021380.db2.gz BWYADIHDZACORL-HSZRJFAPSA-N 0 3 469.674 4.915 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)c1C ZINC001360877090 1066022046 /nfs/dbraw/zinc/02/20/46/1066022046.db2.gz HRSHVBRTYZAPGU-JIPXPUAJSA-N 0 3 497.709 4.925 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)/C(F)=C\c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314181 1066026291 /nfs/dbraw/zinc/02/62/91/1066026291.db2.gz NVNBGQHXWZPJDP-KGENOOAVSA-N 0 3 453.455 4.931 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cnn(-c4ccccc4C)c3C(F)F)cc2)CC1 ZINC001441317811 1066026903 /nfs/dbraw/zinc/02/69/03/1066026903.db2.gz UCGILEOQFYTBTR-UHFFFAOYSA-N 0 3 453.537 4.508 20 0 JJADHN CC1CCN(CCNC(=O)[C@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001441363026 1066035107 /nfs/dbraw/zinc/03/51/07/1066035107.db2.gz RXZYBTSQDOJQHI-IBGZPJMESA-N 0 3 458.430 4.750 20 0 JJADHN Cc1ccccc1-n1ncc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1C(C)C ZINC001441708905 1066063215 /nfs/dbraw/zinc/06/32/15/1066063215.db2.gz IXMIIVKBCXGASV-UHFFFAOYSA-N 0 3 459.638 4.636 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062410 1066088593 /nfs/dbraw/zinc/08/85/93/1066088593.db2.gz LTOMFMHPTWVMCV-IRLDBZIGSA-N 0 3 457.412 4.905 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc2)CC1 ZINC001442062412 1066088747 /nfs/dbraw/zinc/08/87/47/1066088747.db2.gz LTOMFMHPTWVMCV-UNMCSNQZSA-N 0 3 457.412 4.905 20 0 JJADHN CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001442082570 1066091828 /nfs/dbraw/zinc/09/18/28/1066091828.db2.gz ZPKINUGZZDVGAQ-NZQKXSOJSA-N 0 3 459.594 4.840 20 0 JJADHN COCCN1CCC(NC(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC001442301512 1066114082 /nfs/dbraw/zinc/11/40/82/1066114082.db2.gz XLFGAXUHZRBLQO-UHFFFAOYSA-N 0 3 456.439 4.622 20 0 JJADHN C[C@@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442342350 1066118345 /nfs/dbraw/zinc/11/83/45/1066118345.db2.gz KCHMQFAWWBIMDA-QFIPXVFZSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1c(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(C)(C)C)CC2)cnn1CC(C)C ZINC001360960540 1066119663 /nfs/dbraw/zinc/11/96/63/1066119663.db2.gz PPZWMJRJGWGXAU-UHFFFAOYSA-N 0 3 488.055 4.867 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)N(C)C)cc1 ZINC001442478163 1066130866 /nfs/dbraw/zinc/13/08/66/1066130866.db2.gz UNHDSUTYKOSUIL-WNOPAQSVSA-N 0 3 459.993 4.505 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2OC(F)F)N2CCCC2)cc1 ZINC001442594343 1066141682 /nfs/dbraw/zinc/14/16/82/1066141682.db2.gz PXAMBPWPQDKSLK-GOSISDBHSA-N 0 3 453.327 4.926 20 0 JJADHN C[C@H](C1CC1)N(C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C1CC1 ZINC001442631810 1066146335 /nfs/dbraw/zinc/14/63/35/1066146335.db2.gz HAJIRWXEOZDERO-HXUWFJFHSA-N 0 3 455.643 4.726 20 0 JJADHN C[C@@H]1CCCC[C@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001442755271 1066157194 /nfs/dbraw/zinc/15/71/94/1066157194.db2.gz ZCMJZJOAOOZYHA-GGAORHGYSA-N 0 3 457.659 4.879 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCC1(O)CCC1 ZINC001360992009 1066171045 /nfs/dbraw/zinc/17/10/45/1066171045.db2.gz IKYWFIHUVOTQGA-NRFANRHFSA-N 0 3 490.092 4.771 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CCCCC1 ZINC001360992336 1066171562 /nfs/dbraw/zinc/17/15/62/1066171562.db2.gz MZCSPSNRKKODRN-SBHAEUEKSA-N 0 3 464.029 4.968 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)CN(C(=O)OC(C)(C)C)C1CC1)Cc1ccccc1 ZINC001361013187 1066198160 /nfs/dbraw/zinc/19/81/60/1066198160.db2.gz DENSGDVRTHAKJL-UHFFFAOYSA-N 0 3 451.611 4.547 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)COc1cccc2c1OC(C)(C)C2)Cc1ccccc1 ZINC001361013741 1066198951 /nfs/dbraw/zinc/19/89/51/1066198951.db2.gz UHDDVYJACMBZIW-UHFFFAOYSA-N 0 3 458.602 4.940 20 0 JJADHN CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545952032 1066224774 /nfs/dbraw/zinc/22/47/74/1066224774.db2.gz GWTLYTLTOCXLDU-VWDUAXENSA-N 0 3 473.637 4.683 20 0 JJADHN CCCN(C(=O)C1CCN(Cc2csc(C)n2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442886464 1066237055 /nfs/dbraw/zinc/23/70/55/1066237055.db2.gz YAPUVSCPBKOBDD-RUZDIDTESA-N 0 3 454.684 4.567 20 0 JJADHN CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001443010863 1066252787 /nfs/dbraw/zinc/25/27/87/1066252787.db2.gz JCHPVUBSJXQDFR-FQEVSTJZSA-N 0 3 458.444 4.578 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001361035390 1066253934 /nfs/dbraw/zinc/25/39/34/1066253934.db2.gz WMACRCAOKSJJMK-FQEVSTJZSA-N 0 3 461.601 4.830 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098391 1066267344 /nfs/dbraw/zinc/26/73/44/1066267344.db2.gz PFOXGEMOXBPMFW-GCJKJVERSA-N 0 3 451.369 4.945 20 0 JJADHN Cc1cccc(CNC(=O)c2ccc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)cc2)c1 ZINC001443166168 1066276539 /nfs/dbraw/zinc/27/65/39/1066276539.db2.gz NTLLTWCFCOZFJE-MHZLTWQESA-N 0 3 455.602 4.882 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399283 1066277443 /nfs/dbraw/zinc/27/74/43/1066277443.db2.gz FENDNXJOOBGAEV-QDSKXPNFSA-N 0 3 451.611 4.669 20 0 JJADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404491 1066278220 /nfs/dbraw/zinc/27/82/20/1066278220.db2.gz UNGSSKOJUCPHIE-ASSXEAPQSA-N 0 3 453.671 4.659 20 0 JJADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001454404497 1066278958 /nfs/dbraw/zinc/27/89/58/1066278958.db2.gz UNGSSKOJUCPHIE-GINFMSJVSA-N 0 3 453.671 4.659 20 0 JJADHN O=C(N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001454480610 1066290751 /nfs/dbraw/zinc/29/07/51/1066290751.db2.gz QGRWAXUOKHIGPU-PMACEKPBSA-N 0 3 457.348 4.691 20 0 JJADHN Cc1ccc2nc(CSCC(=O)N[C@@H](CN(C)C)c3ccc(Cl)c(Cl)c3)cn2c1 ZINC001454572929 1066302457 /nfs/dbraw/zinc/30/24/57/1066302457.db2.gz BUYPMFLWKITEOO-IBGZPJMESA-N 0 3 451.423 4.602 20 0 JJADHN CCN1CCN([C@@H](C)CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001443501515 1066319590 /nfs/dbraw/zinc/31/95/90/1066319590.db2.gz VZIDABZDZCSFCU-HNNXBMFYSA-N 0 3 453.414 4.528 20 0 JJADHN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N(CCN3CCCC3)Cc3ccc(Cl)cc3)c2N1 ZINC001443538987 1066327094 /nfs/dbraw/zinc/32/70/94/1066327094.db2.gz NHOASHDGCPAZNT-DNVCBOLYSA-N 0 3 469.939 4.582 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H](C)C2)n1CCN1CC=CCC1 ZINC001361088103 1066329600 /nfs/dbraw/zinc/32/96/00/1066329600.db2.gz FTNDZOHLLNSJJR-FQEVSTJZSA-N 0 3 458.050 4.750 20 0 JJADHN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)s1 ZINC001361141662 1066421957 /nfs/dbraw/zinc/42/19/57/1066421957.db2.gz PUJLUXQHQNGLDR-SHQCIBLASA-N 0 3 497.709 4.936 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCCC(C)(C)C)c1 ZINC001361162289 1066469582 /nfs/dbraw/zinc/46/95/82/1066469582.db2.gz MQJYXCUYTYLAMF-UHFFFAOYSA-N 0 3 483.701 4.849 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001456058384 1066498007 /nfs/dbraw/zinc/49/80/07/1066498007.db2.gz PWAZOIVKSAVGPN-HXUWFJFHSA-N 0 3 454.439 4.705 20 0 JJADHN CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccccc3CN3CCC(O)CC3)cc2)cc1 ZINC001444744104 1066500594 /nfs/dbraw/zinc/50/05/94/1066500594.db2.gz KKAXEBLMKRQLNN-UHFFFAOYSA-N 0 3 458.558 4.568 20 0 JJADHN COCCOc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC001456070617 1066502270 /nfs/dbraw/zinc/50/22/70/1066502270.db2.gz DOXBPWPRBNWDFU-UHFFFAOYSA-N 0 3 451.394 4.757 20 0 JJADHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001444919588 1066518189 /nfs/dbraw/zinc/51/81/89/1066518189.db2.gz IEMFVMZMNHGKKW-XMMPIXPASA-N 0 3 459.993 4.602 20 0 JJADHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC001444923409 1066518352 /nfs/dbraw/zinc/51/83/52/1066518352.db2.gz IBUWIURONINDFH-UHFFFAOYSA-N 0 3 456.030 4.739 20 0 JJADHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001444934499 1066519486 /nfs/dbraw/zinc/51/94/86/1066519486.db2.gz WMZFBBZOQIRZDL-UHFFFAOYSA-N 0 3 456.512 4.687 20 0 JJADHN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545970507 1066520929 /nfs/dbraw/zinc/52/09/29/1066520929.db2.gz FYVJOFIQBPGKCM-SFHVURJKSA-N 0 3 491.080 4.822 20 0 JJADHN CN1C[C@@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173168 1066528526 /nfs/dbraw/zinc/52/85/26/1066528526.db2.gz GQIXJQCHECTJTE-OAQYLSRUSA-N 0 3 454.412 4.986 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)o1 ZINC001361209407 1066542731 /nfs/dbraw/zinc/54/27/31/1066542731.db2.gz WKAVXOUOEBTOPS-VXKWHMMOSA-N 0 3 455.578 4.540 20 0 JJADHN CC(C)Oc1cc(Br)ccc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001456300329 1066557952 /nfs/dbraw/zinc/55/79/52/1066557952.db2.gz DPNSBLJZKCALHM-UHFFFAOYSA-N 0 3 455.462 4.718 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001456303643 1066558920 /nfs/dbraw/zinc/55/89/20/1066558920.db2.gz MOFMHALOBRYBAO-UHFFFAOYSA-N 0 3 456.574 4.875 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CC2(C)C)cc1Br ZINC001361221150 1066559565 /nfs/dbraw/zinc/55/95/65/1066559565.db2.gz PGWXMUTTZCBCKP-GOSISDBHSA-N 0 3 460.464 4.983 20 0 JJADHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cccnc1SCc1ccc(F)cc1 ZINC001456308764 1066560246 /nfs/dbraw/zinc/56/02/46/1066560246.db2.gz WXISISJSQOMSBL-UHFFFAOYSA-N 0 3 459.656 4.995 20 0 JJADHN C[C@H]1CN(CCCCNC(=O)C2(c3ccccc3Br)CCCCC2)C[C@H](C)O1 ZINC001445345683 1066560462 /nfs/dbraw/zinc/56/04/62/1066560462.db2.gz JARJGNNZMGTRKB-OALUTQOASA-N 0 3 451.449 4.657 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361224132 1066562376 /nfs/dbraw/zinc/56/23/76/1066562376.db2.gz KENZRVSGBNSPBI-IBGZPJMESA-N 0 3 460.464 4.840 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)o1 ZINC001361224280 1066562489 /nfs/dbraw/zinc/56/24/89/1066562489.db2.gz OGVKFESUUNVWRS-LJQANCHMSA-N 0 3 458.006 4.745 20 0 JJADHN CSc1cccc(N(C(=O)c2nnn(-c3ccccc3)c2C(F)F)C2CCN(C)CC2)c1 ZINC001456334688 1066564407 /nfs/dbraw/zinc/56/44/07/1066564407.db2.gz HQINPGIRCWWYMT-UHFFFAOYSA-N 0 3 457.550 4.668 20 0 JJADHN CSc1cccc(N(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C2CCN(C)CC2)c1 ZINC001456339027 1066565333 /nfs/dbraw/zinc/56/53/33/1066565333.db2.gz NINWGOCAICWSGN-UHFFFAOYSA-N 0 3 458.027 4.930 20 0 JJADHN Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H](c2cccs2)N(C)C)cc1Br ZINC001361229338 1066568691 /nfs/dbraw/zinc/56/86/91/1066568691.db2.gz PZBTZKQIIKKRHP-VQIMIIECSA-N 0 3 490.471 4.606 20 0 JJADHN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC001445461847 1066573674 /nfs/dbraw/zinc/57/36/74/1066573674.db2.gz NVEQAHHCLVYTMC-HXUWFJFHSA-N 0 3 453.465 4.660 20 0 JJADHN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC(C)C)N(C)C)o1 ZINC001361238924 1066580439 /nfs/dbraw/zinc/58/04/39/1066580439.db2.gz YYZRPNGOGNJFKE-GGAORHGYSA-N 0 3 499.681 4.568 20 0 JJADHN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC(C)C)N(C)C)o1 ZINC001361238929 1066580837 /nfs/dbraw/zinc/58/08/37/1066580837.db2.gz YYZRPNGOGNJFKE-JTHBVZDNSA-N 0 3 499.681 4.568 20 0 JJADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)C1 ZINC001456424266 1066581881 /nfs/dbraw/zinc/58/18/81/1066581881.db2.gz CJWPZDUABSHPBN-VWLOTQADSA-N 0 3 456.537 4.961 20 0 JJADHN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001445631106 1066596342 /nfs/dbraw/zinc/59/63/42/1066596342.db2.gz NZMKTHOWVGQTMN-OAQYLSRUSA-N 0 3 450.411 4.748 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3ccccc3Br)n2CCN2CC=CCC2)s1 ZINC001361251412 1066598890 /nfs/dbraw/zinc/59/88/90/1066598890.db2.gz QXMZLTLXFWTRMM-UHFFFAOYSA-N 0 3 472.456 4.976 20 0 JJADHN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)s1 ZINC001361259117 1066609818 /nfs/dbraw/zinc/60/98/18/1066609818.db2.gz QQRVGXZWFMQHOV-HXUWFJFHSA-N 0 3 452.653 4.635 20 0 JJADHN Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)s1 ZINC001361259116 1066609830 /nfs/dbraw/zinc/60/98/30/1066609830.db2.gz QQRVGXZWFMQHOV-FQEVSTJZSA-N 0 3 452.653 4.635 20 0 JJADHN Cc1ccccc1OCCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492601192 1066655128 /nfs/dbraw/zinc/65/51/28/1066655128.db2.gz YWUXKIAYZWIKLR-QFIPXVFZSA-N 0 3 462.623 4.528 20 0 JJADHN Cc1ccc(OCc2nnc(N3CCC=C(C)C3)n2C[C@H](c2cccs2)N(C)C)cc1C ZINC001492613513 1066676171 /nfs/dbraw/zinc/67/61/71/1066676171.db2.gz XGKMWWHWUVMXHE-JOCHJYFZSA-N 0 3 451.640 4.995 20 0 JJADHN O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC001446243840 1066678778 /nfs/dbraw/zinc/67/87/78/1066678778.db2.gz CQWXKDUHJOPWIX-AREMUKBSSA-N 0 3 457.574 4.530 20 0 JJADHN C[C@H](C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001456892519 1066715835 /nfs/dbraw/zinc/71/58/35/1066715835.db2.gz YLSYVEAGVQKBCJ-QPPBQGQZSA-N 0 3 457.659 4.626 20 0 JJADHN C[C@H](C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC001456892529 1066715926 /nfs/dbraw/zinc/71/59/26/1066715926.db2.gz YLSYVEAGVQKBCJ-ZJSXRUAMSA-N 0 3 457.659 4.626 20 0 JJADHN Cc1csc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCN(C)Cc3ccc(F)cc3)C2)n1 ZINC001492641948 1066735327 /nfs/dbraw/zinc/73/53/27/1066735327.db2.gz KWSWWFDQOLMNPK-HXUWFJFHSA-N 0 3 470.662 4.996 20 0 JJADHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)C(F)(F)c1ccccc1F ZINC001446823190 1066745206 /nfs/dbraw/zinc/74/52/06/1066745206.db2.gz JNXUKBWTODPITK-UHFFFAOYSA-N 0 3 453.508 4.921 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)c1 ZINC001492647166 1066751075 /nfs/dbraw/zinc/75/10/75/1066751075.db2.gz YPKGARDSWHIBQZ-SIKLNZKXSA-N 0 3 457.619 4.620 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CC23CCCCC3)CCN(Cc2ccccc2)CC1 ZINC001446987429 1066762304 /nfs/dbraw/zinc/76/23/04/1066762304.db2.gz XFPDAKNEJUNXKO-QFIPXVFZSA-N 0 3 455.643 4.775 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363773 1066817195 /nfs/dbraw/zinc/81/71/95/1066817195.db2.gz NJCQBVLROLQQAW-WXTAPIANSA-N 0 3 455.599 4.652 20 0 JJADHN Cc1nc(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)cs1 ZINC001492681932 1066824287 /nfs/dbraw/zinc/82/42/87/1066824287.db2.gz LFTJNUZTPLTCMX-BKMJKUGQSA-N 0 3 482.698 4.578 20 0 JJADHN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)cs1 ZINC001492683934 1066827288 /nfs/dbraw/zinc/82/72/88/1066827288.db2.gz MHGFYOBGIGNGNQ-FCHUYYIVSA-N 0 3 470.712 4.515 20 0 JJADHN CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457540590 1066855785 /nfs/dbraw/zinc/85/57/85/1066855785.db2.gz UYQXYEOTIJVVAD-WXFUMESZSA-N 0 3 457.659 4.973 20 0 JJADHN CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457544943 1066857324 /nfs/dbraw/zinc/85/73/24/1066857324.db2.gz MKDFNPHIIXXHFW-QFIPXVFZSA-N 0 3 456.428 4.786 20 0 JJADHN CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457549552 1066858624 /nfs/dbraw/zinc/85/86/24/1066858624.db2.gz TVJIJYGGJWNCSO-QFIPXVFZSA-N 0 3 456.512 4.687 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3cc(-c4csc(C)n4)c[nH]3)c(OCC)c2)CC1 ZINC001447802144 1066862331 /nfs/dbraw/zinc/86/23/31/1066862331.db2.gz LAAZQUDSKIFOJM-UHFFFAOYSA-N 0 3 453.612 4.630 20 0 JJADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC001457630312 1066886123 /nfs/dbraw/zinc/88/61/23/1066886123.db2.gz QNUCTQPGAQNHKD-LEWJYISDSA-N 0 3 455.357 4.780 20 0 JJADHN Cc1cc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492731222 1066902141 /nfs/dbraw/zinc/90/21/41/1066902141.db2.gz ODYHXSANTYOWIE-DNQXCXABSA-N 0 3 481.664 4.964 20 0 JJADHN O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001457931160 1066942729 /nfs/dbraw/zinc/94/27/29/1066942729.db2.gz GWBVFKDWEAUPIV-UHFFFAOYSA-N 0 3 452.392 4.731 20 0 JJADHN COc1ccccc1Oc1ccc(C(=O)NCCNC(c2ccccc2)c2ccccc2)nc1 ZINC001458031955 1066958548 /nfs/dbraw/zinc/95/85/48/1066958548.db2.gz AVXVGNRWOBPVRT-UHFFFAOYSA-N 0 3 453.542 4.992 20 0 JJADHN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001492944940 1066961312 /nfs/dbraw/zinc/96/13/12/1066961312.db2.gz VFTJVXYRPMUYLK-RTBURBONSA-N 0 3 466.438 4.836 20 0 JJADHN Fc1cccc2cc(Br)c(NCCCN3CCN(Cc4ccccc4)CC3)nc12 ZINC001458079840 1066969208 /nfs/dbraw/zinc/96/92/08/1066969208.db2.gz GDPGLAQUCIISRS-UHFFFAOYSA-N 0 3 457.391 4.756 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091613 1066971835 /nfs/dbraw/zinc/97/18/35/1066971835.db2.gz BIGYQPHNNOTUCJ-IBGZPJMESA-N 0 3 456.949 4.839 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC001458091617 1066971876 /nfs/dbraw/zinc/97/18/76/1066971876.db2.gz BIGYQPHNNOTUCJ-LJQANCHMSA-N 0 3 456.949 4.839 20 0 JJADHN CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001458092235 1066972322 /nfs/dbraw/zinc/97/23/22/1066972322.db2.gz GRBPNBSZSUHUJT-OAQYLSRUSA-N 0 3 450.608 4.768 20 0 JJADHN CCOCc1nc(Cl)cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)n1 ZINC001458100058 1066975021 /nfs/dbraw/zinc/97/50/21/1066975021.db2.gz HEYKVUYOAUVFMG-UHFFFAOYSA-N 0 3 452.002 4.601 20 0 JJADHN CN(C)C[C@H](CO)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 ZINC001449062375 1066980775 /nfs/dbraw/zinc/98/07/75/1066980775.db2.gz OINATOMVCCQRLW-JXAXNMIRSA-N 0 3 457.618 4.671 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730569 1066988479 /nfs/dbraw/zinc/98/84/79/1066988479.db2.gz BQIXXGSWKNPKGO-WOIUINJBSA-N 0 3 484.595 4.784 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN1CCC[C@H]1C)c1ccccc1 ZINC001545734397 1066997037 /nfs/dbraw/zinc/99/70/37/1066997037.db2.gz RTWGCYRGQORERB-NQIIRXRSSA-N 0 3 477.575 4.652 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545736612 1067000464 /nfs/dbraw/zinc/00/04/64/1067000464.db2.gz SPDPHXQVHUGIPF-OFNKIYASSA-N 0 3 492.634 4.625 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545736611 1067000510 /nfs/dbraw/zinc/00/05/10/1067000510.db2.gz SPDPHXQVHUGIPF-NZQKXSOJSA-N 0 3 492.634 4.625 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001545736610 1067000656 /nfs/dbraw/zinc/00/06/56/1067000656.db2.gz SPDPHXQVHUGIPF-NFBKMPQASA-N 0 3 492.634 4.625 20 0 JJADHN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC001449365709 1067004485 /nfs/dbraw/zinc/00/44/85/1067004485.db2.gz DYNLSWUWAJZWBY-IBGZPJMESA-N 0 3 452.396 4.915 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740763 1067005684 /nfs/dbraw/zinc/00/56/84/1067005684.db2.gz CWHQIHYUVDKIHK-LOSJGSFVSA-N 0 3 466.718 4.861 20 0 JJADHN CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001449563992 1067014797 /nfs/dbraw/zinc/01/47/97/1067014797.db2.gz QNZSQJLTKICYIT-HSZRJFAPSA-N 0 3 450.048 4.628 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545746907 1067016302 /nfs/dbraw/zinc/01/63/02/1067016302.db2.gz WZWRWGUALZRTAL-QPTUXGOLSA-N 0 3 494.709 4.537 20 0 JJADHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC001449805212 1067030491 /nfs/dbraw/zinc/03/04/91/1067030491.db2.gz XZCYTZOOLFKXBO-LJQANCHMSA-N 0 3 453.435 4.862 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759372 1067041816 /nfs/dbraw/zinc/04/18/16/1067041816.db2.gz XECBUDFMYWMLAI-QPTUXGOLSA-N 0 3 485.742 4.756 20 0 JJADHN COc1ccccc1OCCC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001450157992 1067055900 /nfs/dbraw/zinc/05/59/00/1067055900.db2.gz WRQYEZFIIUPGRH-RUZDIDTESA-N 0 3 459.590 4.553 20 0 JJADHN C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267738 1067067125 /nfs/dbraw/zinc/06/71/25/1067067125.db2.gz GKLSQRUETZFJAS-MRXNPFEDSA-N 0 3 454.924 4.533 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)N(C)C)cc1 ZINC001450546832 1067089502 /nfs/dbraw/zinc/08/95/02/1067089502.db2.gz RGEBMEPXZIZIHY-DHLKQENFSA-N 0 3 452.643 4.700 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)N(C)C)cc1 ZINC001450550798 1067089954 /nfs/dbraw/zinc/08/99/54/1067089954.db2.gz VJVIFJIVTFOKIQ-QFIPXVFZSA-N 0 3 451.592 4.820 20 0 JJADHN CC[C@@]1(C)CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001546102507 1067099495 /nfs/dbraw/zinc/09/94/95/1067099495.db2.gz ZGDMNXSNIXVGBC-NTWACIBNSA-N 0 3 475.703 4.566 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634031 1067099674 /nfs/dbraw/zinc/09/96/74/1067099674.db2.gz WDKQNAGOTYLPIS-JTSKRJEESA-N 0 3 456.011 4.555 20 0 JJADHN CN(C)C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)c1ccc(F)cc1 ZINC001450700254 1067106713 /nfs/dbraw/zinc/10/67/13/1067106713.db2.gz IXSRYTAGYZFIOK-IBGZPJMESA-N 0 3 452.313 4.732 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cc(Cl)c(F)cc2N)CC1 ZINC001450700166 1067106879 /nfs/dbraw/zinc/10/68/79/1067106879.db2.gz MDTRDIMFSMFTHF-UHFFFAOYSA-N 0 3 454.771 4.560 20 0 JJADHN COc1cccc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)c1 ZINC001450703229 1067107610 /nfs/dbraw/zinc/10/76/10/1067107610.db2.gz VLWBQEXXZBNNJR-FCHUYYIVSA-N 0 3 457.412 4.684 20 0 JJADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001450705810 1067108174 /nfs/dbraw/zinc/10/81/74/1067108174.db2.gz KBFSCDIYDUKPSI-FYYLOGMGSA-N 0 3 455.643 4.995 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545804905 1067116930 /nfs/dbraw/zinc/11/69/30/1067116930.db2.gz DPUSAGGBODDKEQ-AUSIDOKSSA-N 0 3 491.627 4.920 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)N(C)C)cc1 ZINC001450786933 1067120975 /nfs/dbraw/zinc/12/09/75/1067120975.db2.gz NWVKBUIUASFJEW-AREMUKBSSA-N 0 3 455.606 4.711 20 0 JJADHN C[C@H]1[C@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CCN1Cc1ccccc1 ZINC001450806774 1067124269 /nfs/dbraw/zinc/12/42/69/1067124269.db2.gz WVIDEPXKJUJTCY-PZJWPPBQSA-N 0 3 454.640 4.592 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(CC)C1CC1)N1CCOCC1 ZINC001545807776 1067128767 /nfs/dbraw/zinc/12/87/67/1067128767.db2.gz ODCSWEUQJYFITB-QFIPXVFZSA-N 0 3 490.490 4.833 20 0 JJADHN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC001545809150 1067135088 /nfs/dbraw/zinc/13/50/88/1067135088.db2.gz WHMCEOLPAAKWJM-DZGCQCFKSA-N 0 3 453.848 4.806 20 0 JJADHN Cc1cc(CN(C)C)cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)Cl)c1 ZINC001545808527 1067135137 /nfs/dbraw/zinc/13/51/37/1067135137.db2.gz BALHOSPPTPAXNO-UHFFFAOYSA-N 0 3 454.308 4.831 20 0 JJADHN CCN1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC001450975627 1067137786 /nfs/dbraw/zinc/13/77/86/1067137786.db2.gz JJVUJUMRTZXVHE-KRWDZBQOSA-N 0 3 458.400 4.566 20 0 JJADHN CC[C@H](C)n1c(SCC(=O)Nc2ccc(CN(C)C)cc2OC)nnc1-c1ccccc1 ZINC001451097228 1067146194 /nfs/dbraw/zinc/14/61/94/1067146194.db2.gz YDYVZXBJCODQMG-KRWDZBQOSA-N 0 3 453.612 4.717 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451109233 1067146797 /nfs/dbraw/zinc/14/67/97/1067146797.db2.gz JUOYVJFLBOBPMF-XDWXJERXSA-N 0 3 495.639 4.993 20 0 JJADHN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001451254679 1067156508 /nfs/dbraw/zinc/15/65/08/1067156508.db2.gz OGUPICGBQPOFOB-NFBKMPQASA-N 0 3 453.602 4.920 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)on1 ZINC001545823387 1067166414 /nfs/dbraw/zinc/16/64/14/1067166414.db2.gz KWBUCECIWZYSGR-IRXDYDNUSA-N 0 3 472.037 4.852 20 0 JJADHN Cc1cc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c2cnn(C(C)C)c2n1 ZINC001458841199 1067167480 /nfs/dbraw/zinc/16/74/80/1067167480.db2.gz YCKDZILOCLSVKV-JOCHJYFZSA-N 0 3 455.553 4.944 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@H](C)N1CCC(C)CC1 ZINC001545826742 1067175780 /nfs/dbraw/zinc/17/57/80/1067175780.db2.gz SNHABXUFBVSMOF-FCHUYYIVSA-N 0 3 468.690 4.823 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H]1CCCCN1C1CC1 ZINC001545827000 1067177344 /nfs/dbraw/zinc/17/73/44/1067177344.db2.gz YQNPQCKGVFEBKB-WIYYLYMNSA-N 0 3 470.637 4.550 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1Cc1cscc1C ZINC001545830209 1067180889 /nfs/dbraw/zinc/18/08/89/1067180889.db2.gz PCGSYEWMFFXXOG-UHFFFAOYSA-N 0 3 494.709 4.716 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545849482 1067203119 /nfs/dbraw/zinc/20/31/19/1067203119.db2.gz PEIMIEHFUQKROR-URXFXBBRSA-N 0 3 480.701 4.906 20 0 JJADHN COc1ccc([C@@H]2CCCN2C(=O)CS[C@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001459139624 1067259138 /nfs/dbraw/zinc/25/91/38/1067259138.db2.gz BSOBIQMAPKGTGC-UPVQGACJSA-N 0 3 454.636 4.765 20 0 JJADHN O=C(CS[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccnn1Cc1ccccc1Cl ZINC001459141410 1067259598 /nfs/dbraw/zinc/25/95/98/1067259598.db2.gz KDMSWKBXSBYXSG-NRFANRHFSA-N 0 3 455.027 4.921 20 0 JJADHN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N(CCN(C)C)CC(=O)N(C)C)CCC[C@]3(C)[C@H]2CC1 ZINC001453118617 1067280250 /nfs/dbraw/zinc/28/02/50/1067280250.db2.gz BXLBVHRNJPEWFP-KBJUPQRZSA-N 0 3 457.703 4.600 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)c3cc(F)c(Br)c(Cl)c3)CC2)c1 ZINC001453151479 1067284267 /nfs/dbraw/zinc/28/42/67/1067284267.db2.gz WPOPVYUFYSAYMP-UHFFFAOYSA-N 0 3 455.755 4.645 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320236 1067294034 /nfs/dbraw/zinc/29/40/34/1067294034.db2.gz ARCTZVFQTNXLGV-HSZRJFAPSA-N 0 3 452.549 4.526 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459510677 1067341581 /nfs/dbraw/zinc/34/15/81/1067341581.db2.gz DARJFHJTTSHQBM-YTFSRNRJSA-N 0 3 459.631 4.755 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001546110968 1067377946 /nfs/dbraw/zinc/37/79/46/1067377946.db2.gz UHRYKJLBJQDVQU-QFIPXVFZSA-N 0 3 452.672 4.953 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)C[C@H]3OCc4cc(Cl)ccc43)c(OCC)c2)CC1 ZINC001459710768 1067391659 /nfs/dbraw/zinc/39/16/59/1067391659.db2.gz QRUZGADIBFWBTI-HSZRJFAPSA-N 0 3 458.002 4.871 20 0 JJADHN COc1ccc(F)cc1-c1cncc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC001459743133 1067402440 /nfs/dbraw/zinc/40/24/40/1067402440.db2.gz QVAAFVUYJOOTJD-UHFFFAOYSA-N 0 3 454.933 4.795 20 0 JJADHN C[C@H](c1ccccc1Cl)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782405 1067419519 /nfs/dbraw/zinc/41/95/19/1067419519.db2.gz YPXVFKQFVHRFTF-OPYAIIAOSA-N 0 3 450.023 4.629 20 0 JJADHN CCCCc1ccc([C@@H](NCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C(C)C)cc1 ZINC001459783662 1067420418 /nfs/dbraw/zinc/42/04/18/1067420418.db2.gz FALKWBSLEGBOTM-AMGIVPHBSA-N 0 3 455.687 4.813 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459784842 1067421045 /nfs/dbraw/zinc/42/10/45/1067421045.db2.gz GNZKBFIBXFRYAO-LYZGTLIUSA-N 0 3 455.602 4.842 20 0 JJADHN CCOc1ccccc1[C@@H](CC)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797033 1067427686 /nfs/dbraw/zinc/42/76/86/1067427686.db2.gz NHFINHHGBRYAPL-XQXKNUKBSA-N 0 3 459.631 4.515 20 0 JJADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810992 1067433247 /nfs/dbraw/zinc/43/32/47/1067433247.db2.gz UFHFXAJYACARCO-NZQKXSOJSA-N 0 3 454.014 4.759 20 0 JJADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825342 1067440837 /nfs/dbraw/zinc/44/08/37/1067440837.db2.gz GRKRSYPPIXEPIW-SFHVURJKSA-N 0 3 450.352 4.626 20 0 JJADHN COC(=O)Nc1ccc(CNC(=O)CN[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001459825220 1067440855 /nfs/dbraw/zinc/44/08/55/1067440855.db2.gz JTOTZDYRBGOZTJ-FQEVSTJZSA-N 0 3 451.489 4.877 20 0 JJADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC001459827752 1067441689 /nfs/dbraw/zinc/44/16/89/1067441689.db2.gz WEMHUHUWRLTFDL-HSZRJFAPSA-N 0 3 459.700 4.858 20 0 JJADHN COc1ccc(CN2CCCN(C(=O)CN[C@H](CC(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC001459841249 1067448617 /nfs/dbraw/zinc/44/86/17/1067448617.db2.gz DYMRTXPNSWSTOU-RUZDIDTESA-N 0 3 458.046 4.760 20 0 JJADHN CC(C)(C)C[C@H](NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC001459840990 1067448642 /nfs/dbraw/zinc/44/86/42/1067448642.db2.gz CIRFTLLNVVZUDP-QHCPKHFHSA-N 0 3 456.030 4.959 20 0 JJADHN CC(C)C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001459841972 1067449125 /nfs/dbraw/zinc/44/91/25/1067449125.db2.gz MXCIFULJRSQMEO-HSZRJFAPSA-N 0 3 459.546 4.983 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H](NC[C@@H](O)COCc1ccccc1)c1ccc2ccccc2c1 ZINC001459847124 1067452587 /nfs/dbraw/zinc/45/25/87/1067452587.db2.gz CIWQWKDTUZOAPA-RPBOFIJWSA-N 0 3 450.579 4.573 20 0 JJADHN O[C@H](CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851038 1067456096 /nfs/dbraw/zinc/45/60/96/1067456096.db2.gz GFBJYITZJDCSGL-VQIMIIECSA-N 0 3 451.384 4.667 20 0 JJADHN O[C@H](CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(F)c(Br)c1 ZINC001459851038 1067456098 /nfs/dbraw/zinc/45/60/98/1067456098.db2.gz GFBJYITZJDCSGL-VQIMIIECSA-N 0 3 451.384 4.667 20 0 JJADHN C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867724 1067465366 /nfs/dbraw/zinc/46/53/66/1067465366.db2.gz LCTRIBBYESUTFB-VGOFRKELSA-N 0 3 459.512 4.674 20 0 JJADHN Cc1cc(NC(=O)CN[C@H](COc2c(C)cccc2C)C(C)(C)C)n(-c2ccc(F)cc2)n1 ZINC001459869889 1067466197 /nfs/dbraw/zinc/46/61/97/1067466197.db2.gz MTCVXTXLAFYPRY-JOCHJYFZSA-N 0 3 452.574 4.958 20 0 JJADHN CCN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459905241 1067482524 /nfs/dbraw/zinc/48/25/24/1067482524.db2.gz ZWRKEXNUODLSIR-OAQYLSRUSA-N 0 3 455.400 4.519 20 0 JJADHN Cc1ccc([C@H](CC(F)(F)F)NC[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908046 1067484115 /nfs/dbraw/zinc/48/41/15/1067484115.db2.gz RZWMOGAYFJRIDN-JTHBVZDNSA-N 0 3 450.501 4.742 20 0 JJADHN CC(C)[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(Cl)cc1F ZINC001459919649 1067491305 /nfs/dbraw/zinc/49/13/05/1067491305.db2.gz BOJMTLQLCCPGSW-HSZRJFAPSA-N 0 3 450.023 4.953 20 0 JJADHN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933209 1067497459 /nfs/dbraw/zinc/49/74/59/1067497459.db2.gz JSLJOQAYYWPJHH-NRFANRHFSA-N 0 3 452.599 4.873 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1 ZINC001459942159 1067500667 /nfs/dbraw/zinc/50/06/67/1067500667.db2.gz LAHXHADTMLMTIL-IBGZPJMESA-N 0 3 456.940 4.633 20 0 JJADHN CCCN(C)[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)c1ccc(Cl)cc1 ZINC001459947889 1067503029 /nfs/dbraw/zinc/50/30/29/1067503029.db2.gz YOHPBGPOBGOQGU-XUZZJYLKSA-N 0 3 456.030 4.899 20 0 JJADHN O=S(=O)(CCCN[C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC001459989097 1067516725 /nfs/dbraw/zinc/51/67/25/1067516725.db2.gz KTGCAARTZWZGEK-JOCHJYFZSA-N 0 3 459.409 4.582 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC001459999277 1067521182 /nfs/dbraw/zinc/52/11/82/1067521182.db2.gz UMEYLEXBWZHZET-OAQYLSRUSA-N 0 3 457.416 4.669 20 0 JJADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063177 1067542981 /nfs/dbraw/zinc/54/29/81/1067542981.db2.gz SGHWDYRFGBENJU-UMEGOILYSA-N 0 3 451.611 4.840 20 0 JJADHN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)cc1 ZINC001460072658 1067546463 /nfs/dbraw/zinc/54/64/63/1067546463.db2.gz BZZOOUMCRCGIIM-UHFFFAOYSA-N 0 3 455.986 4.648 20 0 JJADHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)C12CCCC2 ZINC001460072965 1067546477 /nfs/dbraw/zinc/54/64/77/1067546477.db2.gz CMIXLCIEEUCDPG-FGZHOGPDSA-N 0 3 455.986 4.858 20 0 JJADHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095758 1067553510 /nfs/dbraw/zinc/55/35/10/1067553510.db2.gz ODHRYEASFFUERY-BUUDZMLXSA-N 0 3 450.623 4.658 20 0 JJADHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN[C@H]1C[C@H](OC)C1(C)C ZINC001460126530 1067560535 /nfs/dbraw/zinc/56/05/35/1067560535.db2.gz VDAAZYJTRBRDET-IRXDYDNUSA-N 0 3 450.988 4.587 20 0 JJADHN COC(=O)c1cccc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl ZINC001460160628 1067567649 /nfs/dbraw/zinc/56/76/49/1067567649.db2.gz HSTICBCBQZOXAJ-NZQKXSOJSA-N 0 3 455.913 4.807 20 0 JJADHN COc1cc(CN2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198950 1067577247 /nfs/dbraw/zinc/57/72/47/1067577247.db2.gz RRBUKXRDZBTENG-DENIHFKCSA-N 0 3 450.645 4.701 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(Oc4ccc(C)cc4)cn3)CC2)cc1 ZINC001460210523 1067579971 /nfs/dbraw/zinc/57/99/71/1067579971.db2.gz CIWPWWTZSQGROY-UHFFFAOYSA-N 0 3 458.562 4.535 20 0 JJADHN C[C@@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC001460222031 1067583150 /nfs/dbraw/zinc/58/31/50/1067583150.db2.gz PPHJCDRXBIKYMW-JSRBVGTNSA-N 0 3 466.000 4.742 20 0 JJADHN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001460225114 1067583840 /nfs/dbraw/zinc/58/38/40/1067583840.db2.gz DRSQTSKLIAOMBR-ZOCIIQOWSA-N 0 3 460.537 4.629 20 0 JJADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001460230684 1067584902 /nfs/dbraw/zinc/58/49/02/1067584902.db2.gz XETPESCFGBJHLA-UJNULRONSA-N 0 3 458.668 4.559 20 0 JJADHN C[C@H]1CCc2c(sc3nc(CCN4CCCC[C@@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278972 1067596564 /nfs/dbraw/zinc/59/65/64/1067596564.db2.gz NPCNRKUDFABIER-DLBZAZTESA-N 0 3 458.672 4.917 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC001460319346 1067607297 /nfs/dbraw/zinc/60/72/97/1067607297.db2.gz VSUPHYVFYDPHCA-RLLQIKCJSA-N 0 3 456.599 4.984 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@H](CN2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001460356193 1067615874 /nfs/dbraw/zinc/61/58/74/1067615874.db2.gz NGGRTXYUUOVHQH-GOSISDBHSA-N 0 3 452.437 4.608 20 0 JJADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460398341 1067626512 /nfs/dbraw/zinc/62/65/12/1067626512.db2.gz BLXKMANAZSXIQM-RUZDIDTESA-N 0 3 455.602 4.582 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccnc(Br)c2)C1 ZINC001460402984 1067627316 /nfs/dbraw/zinc/62/73/16/1067627316.db2.gz CVFQEKVLHONTMI-RTBURBONSA-N 0 3 464.379 4.866 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cccc(Br)n2)C1 ZINC001460410742 1067629650 /nfs/dbraw/zinc/62/96/50/1067629650.db2.gz QDFJIJXYLZYHRX-RTBURBONSA-N 0 3 464.379 4.866 20 0 JJADHN O=C(N1CCC[C@@H](C2CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1)C(F)(F)F ZINC001460449858 1067636619 /nfs/dbraw/zinc/63/66/19/1067636619.db2.gz QKCFLNLUGRUXGS-CRAIPNDOSA-N 0 3 453.332 4.540 20 0 JJADHN C[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454299 1067637585 /nfs/dbraw/zinc/63/75/85/1067637585.db2.gz MBBMYEPWBHTMPZ-NSISKUIASA-N 0 3 455.437 4.888 20 0 JJADHN CC(C)(C)c1csc(CC2(O)CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1 ZINC001460630192 1067677904 /nfs/dbraw/zinc/67/79/04/1067677904.db2.gz HFIRSMXMGRYYSD-UHFFFAOYSA-N 0 3 454.011 4.631 20 0 JJADHN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC001460659863 1067691293 /nfs/dbraw/zinc/69/12/93/1067691293.db2.gz MAAVGPPHCXRWND-HSZRJFAPSA-N 0 3 450.604 4.936 20 0 JJADHN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC001460688129 1067701984 /nfs/dbraw/zinc/70/19/84/1067701984.db2.gz FVZJKQXTDUURPI-NLFFAJNJSA-N 0 3 456.608 4.838 20 0 JJADHN COCCCN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1)C1CCN(C)CC1 ZINC001460690789 1067702513 /nfs/dbraw/zinc/70/25/13/1067702513.db2.gz NABBMMRUTXWWCY-UHFFFAOYSA-N 0 3 452.382 4.754 20 0 JJADHN O=C(CN1CCCC[C@@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692894 1067703226 /nfs/dbraw/zinc/70/32/26/1067703226.db2.gz PJRWLSXXYXXPGY-HXUWFJFHSA-N 0 3 453.558 4.545 20 0 JJADHN CN(C)CCN(Cc1ccsc1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001460770494 1067720660 /nfs/dbraw/zinc/72/06/60/1067720660.db2.gz HAGSGNNSALDOCY-UHFFFAOYSA-N 0 3 456.456 4.900 20 0 JJADHN Cc1nc(C2CCN([C@H](C)C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)[nH]c1C ZINC001460784564 1067722929 /nfs/dbraw/zinc/72/29/29/1067722929.db2.gz FXVSMPHVAFXQLU-QGZVFWFLSA-N 0 3 451.596 4.547 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822398 1067729307 /nfs/dbraw/zinc/72/93/07/1067729307.db2.gz SXJWJNICGIKGSQ-GCJKJVERSA-N 0 3 459.414 4.599 20 0 JJADHN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC001460860212 1067736295 /nfs/dbraw/zinc/73/62/95/1067736295.db2.gz QQCCJODBCMZHJQ-LJQANCHMSA-N 0 3 455.437 4.745 20 0 JJADHN COC(=O)c1cc(CN2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)ccc1C ZINC001460863946 1067737135 /nfs/dbraw/zinc/73/71/35/1067737135.db2.gz MATRMHNQOJPEDT-UHFFFAOYSA-N 0 3 452.595 4.840 20 0 JJADHN C[C@@H](NC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001460889567 1067744051 /nfs/dbraw/zinc/74/40/51/1067744051.db2.gz SZTUEISYUOOTHT-LZFFWASXSA-N 0 3 451.611 4.594 20 0 JJADHN CCCCCCc1ccc(-c2csc(NC(=O)CN[C@@H]3CCOC34CCOCC4)n2)cc1 ZINC001460915608 1067747403 /nfs/dbraw/zinc/74/74/03/1067747403.db2.gz JDZZJDGDKBKPBP-JOCHJYFZSA-N 0 3 457.640 4.799 20 0 JJADHN O=C(CN1CCCC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920733 1067748483 /nfs/dbraw/zinc/74/84/83/1067748483.db2.gz DPNORINQFDCSNS-MOPGFXCFSA-N 0 3 455.986 4.669 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@]12CN(CCOc3ccccc3Br)C[C@H]1CCCC2 ZINC001460969518 1067754827 /nfs/dbraw/zinc/75/48/27/1067754827.db2.gz CYWXAMMFCIAHPN-VGSWGCGISA-N 0 3 453.421 4.845 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NCC(=O)Nc3ccc(C(F)(F)F)cc3)C(C)(C)[C@H]21 ZINC001460983848 1067757273 /nfs/dbraw/zinc/75/72/73/1067757273.db2.gz WEQPOSQZBMXGGP-NEWSRXKRSA-N 0 3 455.521 4.658 20 0 JJADHN COc1ccc([C@@H](CNCc2cc(OC(F)F)ccc2Br)N2CCCC2)cc1 ZINC001460990120 1067758320 /nfs/dbraw/zinc/75/83/20/1067758320.db2.gz VKNXIAFSICCQOA-HXUWFJFHSA-N 0 3 455.343 4.986 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CN[C@@H](CN3CCCC3)c3ccccc3)o2)C1 ZINC001460993013 1067759360 /nfs/dbraw/zinc/75/93/60/1067759360.db2.gz QNSLCDDUTWEGRS-UPVQGACJSA-N 0 3 453.627 4.764 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011640 1067762057 /nfs/dbraw/zinc/76/20/57/1067762057.db2.gz HRYLBFJXKBZOMS-RBBKRZOGSA-N 0 3 457.615 4.748 20 0 JJADHN FC(F)(F)COc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1 ZINC001461013742 1067762287 /nfs/dbraw/zinc/76/22/87/1067762287.db2.gz MEQXSQXMRTUXPQ-UHFFFAOYSA-N 0 3 459.306 4.517 20 0 JJADHN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNC[C@@H](c1ccccc1)N1CCOCC1 ZINC001461019084 1067762964 /nfs/dbraw/zinc/76/29/64/1067762964.db2.gz MNVGZWLBUIGEPS-QHCPKHFHSA-N 0 3 453.030 4.986 20 0 JJADHN C[C@H]1CN([C@H](CNCc2cc(Br)ccc2F)c2c(F)cccc2Cl)CCO1 ZINC001461053127 1067770627 /nfs/dbraw/zinc/77/06/27/1067770627.db2.gz ZZLPVJWPJTYUTJ-ORAYPTAESA-N 0 3 459.762 4.932 20 0 JJADHN COc1ccccc1[C@@H](CNCc1ccc(F)c(Br)c1)NC(=O)OC(C)(C)C ZINC001461064730 1067773798 /nfs/dbraw/zinc/77/37/98/1067773798.db2.gz PZONSHSXCRWJFY-GOSISDBHSA-N 0 3 453.352 4.952 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC001461069194 1067775311 /nfs/dbraw/zinc/77/53/11/1067775311.db2.gz UKJZUIFVXXFHEF-UHFFFAOYSA-N 0 3 458.606 4.959 20 0 JJADHN COc1ccc(CCNCc2cc(Br)ccc2Br)c(OC)c1OC ZINC001461138154 1067787810 /nfs/dbraw/zinc/78/78/10/1067787810.db2.gz LMRLHFMLEBVESX-UHFFFAOYSA-N 0 3 459.178 4.570 20 0 JJADHN Cc1ccc(C(=O)N2CCC(NCc3cc(OC(F)F)ccc3Br)CC2)cc1 ZINC001461139055 1067787957 /nfs/dbraw/zinc/78/79/57/1067787957.db2.gz GCJBBRJDKRZXHG-UHFFFAOYSA-N 0 3 453.327 4.753 20 0 JJADHN COc1cc(Br)c(CN[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c(OC)c1 ZINC001461144801 1067788561 /nfs/dbraw/zinc/78/85/61/1067788561.db2.gz VJMFJUAJOLKKRX-QGZVFWFLSA-N 0 3 454.368 4.570 20 0 JJADHN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](C)Sc1ccc(Br)cc1 ZINC001461159114 1067791076 /nfs/dbraw/zinc/79/10/76/1067791076.db2.gz HASGFTWLAFULEW-NSHDSACASA-N 0 3 452.340 4.703 20 0 JJADHN CC(C)(C)OC(=O)NCC1(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCC1 ZINC001461205403 1067799074 /nfs/dbraw/zinc/79/90/74/1067799074.db2.gz UUIONMOIBYRVEE-UHFFFAOYSA-N 0 3 452.521 4.877 20 0 JJADHN FC(F)(F)Cc1ncc(CNCCSCCOc2cccc(Br)c2)s1 ZINC001461221479 1067802711 /nfs/dbraw/zinc/80/27/11/1067802711.db2.gz XSEOUACTFWGSBG-UHFFFAOYSA-N 0 3 455.365 4.912 20 0 JJADHN Cc1ccc(-c2ncc(CNCc3cc(C(F)(F)F)ccc3N3CCN(C)CC3)s2)o1 ZINC001461222439 1067803000 /nfs/dbraw/zinc/80/30/00/1067803000.db2.gz MRHRPNPMMDWPBX-UHFFFAOYSA-N 0 3 450.530 4.772 20 0 JJADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001461227225 1067804344 /nfs/dbraw/zinc/80/43/44/1067804344.db2.gz CRJVVCHHOAZABK-UHFFFAOYSA-N 0 3 450.986 4.958 20 0 JJADHN CC[C@@H](NCc1cn(-c2ccccc2Br)nc1C)[C@@H](O)c1c(F)cccc1F ZINC001461258094 1067812363 /nfs/dbraw/zinc/81/23/63/1067812363.db2.gz PLBSMQUBWXDDJA-WIYYLYMNSA-N 0 3 450.327 4.823 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1 ZINC001461313610 1067826074 /nfs/dbraw/zinc/82/60/74/1067826074.db2.gz KNVALBWBUZHTRC-UHFFFAOYSA-N 0 3 458.647 4.950 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 ZINC001461336979 1067831925 /nfs/dbraw/zinc/83/19/25/1067831925.db2.gz SNCXIUXBGRNRKD-UHFFFAOYSA-N 0 3 457.618 4.740 20 0 JJADHN O=C(CCCc1cc(Cl)sc1Cl)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001461337077 1067832185 /nfs/dbraw/zinc/83/21/85/1067832185.db2.gz YURMGNBNAFXUSZ-MOPGFXCFSA-N 0 3 453.435 4.880 20 0 JJADHN COc1cc(C[NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)cc(Br)c1[O-] ZINC001461340958 1067833924 /nfs/dbraw/zinc/83/39/24/1067833924.db2.gz UHYSGVABGZKFIB-NRFANRHFSA-N 0 3 458.352 4.566 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001461344470 1067834746 /nfs/dbraw/zinc/83/47/46/1067834746.db2.gz JTUCAXRQUCCLPZ-LEWJYISDSA-N 0 3 462.421 4.752 20 0 JJADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(I)c(C)cc1C ZINC001461355720 1067837262 /nfs/dbraw/zinc/83/72/62/1067837262.db2.gz GDMNUDVALATWEQ-NQIIRXRSSA-N 0 3 460.359 4.665 20 0 JJADHN COc1c(Br)cc(Br)cc1CNCC1([C@H](O)c2ccccc2)CC1 ZINC001461373752 1067841115 /nfs/dbraw/zinc/84/11/15/1067841115.db2.gz KCKMQYRANFXLTD-GOSISDBHSA-N 0 3 455.190 4.824 20 0 JJADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421670 1067852841 /nfs/dbraw/zinc/85/28/41/1067852841.db2.gz YCAUSXFOSZIZQL-ODGPQVTHSA-N 0 3 453.631 4.899 20 0 JJADHN CCO[C@@H]1C[C@](CO)(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430811 1067854504 /nfs/dbraw/zinc/85/45/04/1067854504.db2.gz ADHOPOXBLLRBHN-NFBKMPQASA-N 0 3 451.394 4.901 20 0 JJADHN C/C(=C/c1ccccc1OC(F)F)CN[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464255 1067863079 /nfs/dbraw/zinc/86/30/79/1067863079.db2.gz PIHIFLJPHQEMMH-RMHQSFGDSA-N 0 3 451.311 4.849 20 0 JJADHN CC[C@@H](NCc1cc(I)c(Br)cc1F)[C@H]1CCCCO1 ZINC001461607615 1067900360 /nfs/dbraw/zinc/90/03/60/1067900360.db2.gz LWFXJEFIWYHCNY-HUUCEWRRSA-N 0 3 456.137 4.630 20 0 JJADHN COc1nsc(CNCC2(c3ccc(Br)s3)CCC2)c1Br ZINC001461491978 1067875072 /nfs/dbraw/zinc/87/50/72/1067875072.db2.gz DCSVVCNCAPHVGL-UHFFFAOYSA-N 0 3 452.237 4.950 20 0 JJADHN C[C@](CO)(NCc1ccnc2c(Br)cccc12)c1ccc(Br)cc1 ZINC001461498042 1067876441 /nfs/dbraw/zinc/87/64/41/1067876441.db2.gz JQEYAFJTHQOETD-LJQANCHMSA-N 0 3 450.174 4.757 20 0 JJADHN Cc1ccc(CNCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c(C)c1Br ZINC001461500350 1067877213 /nfs/dbraw/zinc/87/72/13/1067877213.db2.gz HRDAVNQHHKDTNG-HSZRJFAPSA-N 0 3 456.384 4.581 20 0 JJADHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(Br)c(Br)c2)[C@H]1n1cccn1 ZINC001461513708 1067879619 /nfs/dbraw/zinc/87/96/19/1067879619.db2.gz JVLJVBHPSIWQIK-GVDBMIGSSA-N 0 3 457.210 4.695 20 0 JJADHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NCc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC001461529057 1067881673 /nfs/dbraw/zinc/88/16/73/1067881673.db2.gz DLFCVSWRZBZRMM-WZONZLPQSA-N 0 3 455.574 4.692 20 0 JJADHN CCc1ccc(-c2nn(-c3ccccc3C)cc2CNCC2(CS(C)(=O)=O)CCC2)cc1 ZINC001461583613 1067893904 /nfs/dbraw/zinc/89/39/04/1067893904.db2.gz QNRLZWQMHTUXTI-UHFFFAOYSA-N 0 3 451.636 4.715 20 0 JJADHN COc1c(Br)cc(Br)cc1CN[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001461614628 1067902270 /nfs/dbraw/zinc/90/22/70/1067902270.db2.gz AMXDDHKQMJUZLK-RISCZKNCSA-N 0 3 463.210 4.820 20 0 JJADHN CN1CCN(CCCOc2ccc(NCc3cnc(-c4c(F)cccc4F)s3)cc2)CC1 ZINC001461628961 1067905257 /nfs/dbraw/zinc/90/52/57/1067905257.db2.gz ZQRGFHNHDOLGHC-UHFFFAOYSA-N 0 3 458.578 4.717 20 0 JJADHN CC(C)[C@@H](CCNCc1nc(-c2cccc(Br)c2)c[nH]1)NC(=O)OC(C)(C)C ZINC001461644357 1067908458 /nfs/dbraw/zinc/90/84/58/1067908458.db2.gz BNDGCFVPBKBQBG-QGZVFWFLSA-N 0 3 451.409 4.868 20 0 JJADHN Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001461644505 1067908547 /nfs/dbraw/zinc/90/85/47/1067908547.db2.gz VABLURRMBYZEBN-DHIUTWEWSA-N 0 3 467.411 4.774 20 0 JJADHN COc1ccc(C2(NCc3cn(-c4ccccc4Br)nc3C)CCOCC2)cc1 ZINC001461659613 1067912121 /nfs/dbraw/zinc/91/21/21/1067912121.db2.gz YVGXBBCZHWMCJZ-UHFFFAOYSA-N 0 3 456.384 4.747 20 0 JJADHN CCC1(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCN(C(C)(C)C)CC2)CCOCC1 ZINC001546126114 1067914243 /nfs/dbraw/zinc/91/42/43/1067914243.db2.gz RBFRJPNAHAVMRK-FQEVSTJZSA-N 0 3 473.637 4.685 20 0 JJADHN Cc1cc(Cl)ccc1Oc1ccc(F)cc1CNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC001461677942 1067916367 /nfs/dbraw/zinc/91/63/67/1067916367.db2.gz WXAUPUOAKBVKLZ-QHCPKHFHSA-N 0 3 455.961 4.965 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2cc(Br)sc2Br)C1 ZINC001461688559 1067918635 /nfs/dbraw/zinc/91/86/35/1067918635.db2.gz BQCGQOQBVUURJR-JGZJWPJOSA-N 0 3 454.228 4.666 20 0 JJADHN COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC001461692645 1067919582 /nfs/dbraw/zinc/91/95/82/1067919582.db2.gz MJRRDHZZZQGLDG-HNNXBMFYSA-N 0 3 457.409 4.679 20 0 JJADHN Brc1cnn(C2(CNCc3ccc(-c4ccc(Br)cc4)o3)CC2)c1 ZINC001461735983 1067927869 /nfs/dbraw/zinc/92/78/69/1067927869.db2.gz MEOGYJTXCHVOFM-UHFFFAOYSA-N 0 3 451.162 4.947 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2ccc(Br)c(F)c2F)C1 ZINC001461752277 1067930583 /nfs/dbraw/zinc/93/05/83/1067930583.db2.gz QKDZEWIGSOSGLU-LBPRGKRZSA-N 0 3 455.290 4.709 20 0 JJADHN CC[C@@H](CNCc1cc(Br)cc(Br)c1OC)C(=O)OC(C)(C)C ZINC001461774794 1067934900 /nfs/dbraw/zinc/93/49/00/1067934900.db2.gz LQPYWQUWTXYZJK-NSHDSACASA-N 0 3 451.199 4.678 20 0 JJADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001461778209 1067935705 /nfs/dbraw/zinc/93/57/05/1067935705.db2.gz PQZVQEQMFICOEF-PKOBYXMFSA-N 0 3 450.986 4.815 20 0 JJADHN CN(Cc1ccnc2c(Br)cccc12)[C@H](CO)c1cccc(Br)c1 ZINC001461874274 1067952162 /nfs/dbraw/zinc/95/21/62/1067952162.db2.gz QGPRXHAMSUWKMN-GOSISDBHSA-N 0 3 450.174 4.925 20 0 JJADHN CN(C[C@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902405 1067958572 /nfs/dbraw/zinc/95/85/72/1067958572.db2.gz NVEFIIVNXPOSLT-CYBMUJFWSA-N 0 3 455.422 4.590 20 0 JJADHN C[C@H](c1ccc2ccccc2c1)N(Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907583 1067959228 /nfs/dbraw/zinc/95/92/28/1067959228.db2.gz OYVCRHCLVYXCEI-OAHLLOKOSA-N 0 3 459.409 4.975 20 0 JJADHN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1Cc1ccc(OCC(=O)OC)cc1 ZINC001461999731 1067977592 /nfs/dbraw/zinc/97/75/92/1067977592.db2.gz REIJPVIDGVFKDV-NRFANRHFSA-N 0 3 450.501 4.748 20 0 JJADHN COC(=O)c1ccc(COc2ccc(CN3CCC(Cc4cccnc4)CC3)cc2OC)o1 ZINC001462070827 1067996236 /nfs/dbraw/zinc/99/62/36/1067996236.db2.gz IGDNMKTVNAUXSI-UHFFFAOYSA-N 0 3 450.535 4.504 20 0 JJADHN CCOc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Br)c1[O-] ZINC001462090082 1067999618 /nfs/dbraw/zinc/99/96/18/1067999618.db2.gz VWMKTUFEUHYLQA-IRLDBZIGSA-N 0 3 452.364 4.556 20 0 JJADHN CCOC(=O)Cn1cc(CN(CC(C)C)[C@@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240462 1068035782 /nfs/dbraw/zinc/03/57/82/1068035782.db2.gz VHHYONOCERRUKM-SFHVURJKSA-N 0 3 458.006 4.719 20 0 JJADHN CCOC(=O)Cn1cc(CN(CC(C)C)[C@H](C)c2ccccc2Cl)c(-c2cnn(C)c2)n1 ZINC001462240458 1068036120 /nfs/dbraw/zinc/03/61/20/1068036120.db2.gz VHHYONOCERRUKM-GOSISDBHSA-N 0 3 458.006 4.719 20 0 JJADHN CCC1(Cn2c(-c3ccc(Br)s3)nnc2N2CCN(CC(C)C)CC2)CCOCC1 ZINC001546130876 1068053060 /nfs/dbraw/zinc/05/30/60/1068053060.db2.gz HHBPTWZHAZMXAU-UHFFFAOYSA-N 0 3 496.519 4.754 20 0 JJADHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400334 1068066081 /nfs/dbraw/zinc/06/60/81/1068066081.db2.gz XTLPIYRMDYNXDU-AVRDEDQJSA-N 0 3 459.631 4.857 20 0 JJADHN CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001462409393 1068067733 /nfs/dbraw/zinc/06/77/33/1068067733.db2.gz GNVNJDNQEYOMSU-QYBDOPJKSA-N 0 3 455.599 4.780 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC001462410553 1068068342 /nfs/dbraw/zinc/06/83/42/1068068342.db2.gz ZVTFQUVYSPDMRK-HLIPFELVSA-N 0 3 458.521 4.711 20 0 JJADHN O=C(OCc1ccccc1)N1CCC(CNCc2ccc(Br)c(F)c2F)CC1 ZINC001462483959 1068082948 /nfs/dbraw/zinc/08/29/48/1068082948.db2.gz KHQBUNQFRHVUBK-UHFFFAOYSA-N 0 3 453.327 4.866 20 0 JJADHN CCOCOc1ccc(CN2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001462521731 1068090532 /nfs/dbraw/zinc/09/05/32/1068090532.db2.gz YRMWGDZFGRTMEP-BJKOFHAPSA-N 0 3 456.583 4.561 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC4(CC3)C[C@H](O)CCO4)n2)cc1 ZINC001462607688 1068110827 /nfs/dbraw/zinc/11/08/27/1068110827.db2.gz YGQFUPYNFQBENB-JOCHJYFZSA-N 0 3 453.583 4.602 20 0 JJADHN CC(C)(C)OC(=O)N(CCN1CCC[C@](O)(c2ccc(Br)cc2)C1)C(C)(C)C ZINC001462620651 1068113673 /nfs/dbraw/zinc/11/36/73/1068113673.db2.gz HXUQJDMTIYQFDC-JOCHJYFZSA-N 0 3 455.437 4.768 20 0 JJADHN CN(C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc1C(F)(F)F ZINC001462727540 1068145314 /nfs/dbraw/zinc/14/53/14/1068145314.db2.gz FWOYWQXRYJDMJF-ZDUSSCGKSA-N 0 3 457.855 4.551 20 0 JJADHN CN(C)Cc1ccc(NC(=O)C(F)(F)c2ncccc2Br)cc1C(F)(F)F ZINC001462728975 1068145834 /nfs/dbraw/zinc/14/58/34/1068145834.db2.gz LQXUWAOTVBHACD-UHFFFAOYSA-N 0 3 452.221 4.655 20 0 JJADHN CC1(C)C[C@@H](NS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C(C)(C)O1 ZINC001463417956 1068391422 /nfs/dbraw/zinc/39/14/22/1068391422.db2.gz INFRIXAANCPBEX-YTFSRNRJSA-N 0 3 477.070 4.574 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)N2CCCC2)cc1 ZINC001463562927 1068444967 /nfs/dbraw/zinc/44/49/67/1068444967.db2.gz IOFWTHAGJWFCLE-WPFOTENUSA-N 0 3 457.412 4.689 20 0 JJADHN O=S(=O)(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638257 1068477739 /nfs/dbraw/zinc/47/77/39/1068477739.db2.gz IUBSLORKOSKAGN-HXUWFJFHSA-N 0 3 456.995 4.933 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2)CC1 ZINC001463706187 1068500769 /nfs/dbraw/zinc/50/07/69/1068500769.db2.gz JDKFTMMSLFMZTE-NRFANRHFSA-N 0 3 458.647 4.503 20 0 JJADHN O=C(N[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759253 1068514695 /nfs/dbraw/zinc/51/46/95/1068514695.db2.gz BZGADPMHSIDWAB-UIOOFZCWSA-N 0 3 457.574 4.607 20 0 JJADHN CCc1ccc([C@H](CNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)N(C)C)cc1 ZINC001463764032 1068516588 /nfs/dbraw/zinc/51/65/88/1068516588.db2.gz PQWRLMULRUXWSO-QFIPXVFZSA-N 0 3 454.977 4.749 20 0 JJADHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cnn1-c1cccc(Br)c1 ZINC001463767826 1068518130 /nfs/dbraw/zinc/51/81/30/1068518130.db2.gz XWHAGAWZDHEUMN-QFIPXVFZSA-N 0 3 453.384 4.510 20 0 JJADHN CN(C)[C@H](CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771103 1068519259 /nfs/dbraw/zinc/51/92/59/1068519259.db2.gz UOSOITKRXASZQU-VXKWHMMOSA-N 0 3 451.611 4.595 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)Cc1ccccc1 ZINC001463837277 1068542307 /nfs/dbraw/zinc/54/23/07/1068542307.db2.gz RGKGSUQXUGWHJW-OAQYLSRUSA-N 0 3 450.529 4.879 20 0 JJADHN Cc1ccc(CN(C)S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)cc1C ZINC001463878000 1068554142 /nfs/dbraw/zinc/55/41/42/1068554142.db2.gz USZOIOBACUMOBQ-RRPNLBNLSA-N 0 3 466.622 4.872 20 0 JJADHN CN1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC001463946427 1068572204 /nfs/dbraw/zinc/57/22/04/1068572204.db2.gz IMYHXYDLDXLZFV-DVECYGJZSA-N 0 3 456.995 4.756 20 0 JJADHN CC[C@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)N1CCc2ccccc2C1 ZINC001464097592 1068614187 /nfs/dbraw/zinc/61/41/87/1068614187.db2.gz GPKIFTMNMRUQBZ-OAQYLSRUSA-N 0 3 456.512 4.971 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cn4)c3)cc2)CC1 ZINC001464124083 1068623108 /nfs/dbraw/zinc/62/31/08/1068623108.db2.gz GDWAVIMZYRMBGV-UHFFFAOYSA-N 0 3 450.970 4.917 20 0 JJADHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001464124740 1068624367 /nfs/dbraw/zinc/62/43/67/1068624367.db2.gz VIAZDGJQCACYRU-UHFFFAOYSA-N 0 3 457.290 4.526 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001464143199 1068633225 /nfs/dbraw/zinc/63/32/25/1068633225.db2.gz VOGZVIKKLWZYID-IBGZPJMESA-N 0 3 450.530 4.825 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)C(F)(F)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC001464158678 1068637675 /nfs/dbraw/zinc/63/76/75/1068637675.db2.gz JXGWIJJILIJJSC-UHFFFAOYSA-N 0 3 456.364 4.539 20 0 JJADHN Cc1nc(C2CCCCC2)sc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC001464281068 1068689404 /nfs/dbraw/zinc/68/94/04/1068689404.db2.gz KRJMVEZWOJYIFA-UHFFFAOYSA-N 0 3 454.684 4.827 20 0 JJADHN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464472767 1068759453 /nfs/dbraw/zinc/75/94/53/1068759453.db2.gz OLUJNFLBVKUYSP-AZUAARDMSA-N 0 3 455.027 4.878 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001464501500 1068767680 /nfs/dbraw/zinc/76/76/80/1068767680.db2.gz XILWZBMYCDQZEL-VQIMIIECSA-N 0 3 459.553 4.850 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001464511661 1068769349 /nfs/dbraw/zinc/76/93/49/1068769349.db2.gz FNDNVKOQFHESMX-UHFFFAOYSA-N 0 3 454.958 4.528 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)c2c1CCNC2 ZINC001164683344 719617909 /nfs/dbraw/zinc/61/79/09/719617909.db2.gz SDQIHEVGTKBIEI-UHFFFAOYSA-N 0 3 454.352 4.822 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)c2c1CCNC2 ZINC001164681246 719625654 /nfs/dbraw/zinc/62/56/54/719625654.db2.gz FBJKHCFZBQGAFX-UHFFFAOYSA-N 0 3 489.785 4.870 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)nc2-c2cn(C)c3ccccc23)c2c1CCNC2 ZINC001164684563 719629438 /nfs/dbraw/zinc/62/94/38/719629438.db2.gz VBNAWVYMWTYHJG-UHFFFAOYSA-N 0 3 499.997 4.569 20 0 JJADHN CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCN4Cc2cccnc2)n1)CCCC3 ZINC001164734816 720440835 /nfs/dbraw/zinc/44/08/35/720440835.db2.gz UWDROGNGWYYASM-RTBURBONSA-N 0 3 451.665 4.681 20 0 JJADHN COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735950 720459276 /nfs/dbraw/zinc/45/92/76/720459276.db2.gz ZTZXVCDRDUOJOL-YADHBBJMSA-N 0 3 457.603 4.753 20 0 JJADHN COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735948 720460570 /nfs/dbraw/zinc/46/05/70/720460570.db2.gz ZTZXVCDRDUOJOL-FGZHOGPDSA-N 0 3 457.603 4.753 20 0 JJADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735093 720464452 /nfs/dbraw/zinc/46/44/52/720464452.db2.gz VYEUMVXRBBRGKS-DHIUTWEWSA-N 0 3 470.646 4.668 20 0 JJADHN Clc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742583 720692627 /nfs/dbraw/zinc/69/26/27/720692627.db2.gz VUJGFMLUNJLSOZ-FGZHOGPDSA-N 0 3 484.991 4.596 20 0 JJADHN Clc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1-c1ccccc1 ZINC001164742585 720693417 /nfs/dbraw/zinc/69/34/17/720693417.db2.gz VUJGFMLUNJLSOZ-YADHBBJMSA-N 0 3 484.991 4.596 20 0 JJADHN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836853 720736856 /nfs/dbraw/zinc/73/68/56/720736856.db2.gz GIVYBUNOVODVGA-UHFFFAOYSA-N 0 3 467.351 4.730 20 0 JJADHN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844416 720740984 /nfs/dbraw/zinc/74/09/84/720740984.db2.gz SBAKWWDQQYSBCZ-UHFFFAOYSA-N 0 3 458.944 4.591 20 0 JJADHN COC[C@]12CCC[C@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849629 720790934 /nfs/dbraw/zinc/79/09/34/720790934.db2.gz SEHRAJBHVSGWHJ-RXFWQSSRSA-N 0 3 482.024 4.650 20 0 JJADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164859681 721003774 /nfs/dbraw/zinc/00/37/74/721003774.db2.gz LFEXYEDUDFNPNM-SFHVURJKSA-N 0 3 469.703 4.768 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@H]3C2)cn1 ZINC001164763383 721153433 /nfs/dbraw/zinc/15/34/33/721153433.db2.gz FJEJLZFHFIZNQR-VQTJNVASSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767793 721200923 /nfs/dbraw/zinc/20/09/23/721200923.db2.gz KPFDTKMKWUOGAI-OALUTQOASA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764241 721215715 /nfs/dbraw/zinc/21/57/15/721215715.db2.gz GPBDANDZMMXRAY-YADHBBJMSA-N 0 3 456.619 4.564 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762565 721227901 /nfs/dbraw/zinc/22/79/01/721227901.db2.gz LFIBMMZJXMRNFL-BJKOFHAPSA-N 0 3 466.589 4.628 20 0 JJADHN C[C@@H]1CCc2c(sc3ncnc(N4CCC(F)(F)[C@@]5(CCN(Cc6ccccn6)C5)C4)c23)C1 ZINC001164905368 721702905 /nfs/dbraw/zinc/70/29/05/721702905.db2.gz ISUPSGDASOPVLH-MZNJEOGPSA-N 0 3 469.605 4.949 20 0 JJADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907413 721723692 /nfs/dbraw/zinc/72/36/92/721723692.db2.gz RRMMNQBJAVBVAL-HSZRJFAPSA-N 0 3 455.578 4.621 20 0 JJADHN O=C(OCc1ccccc1)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164913893 721728206 /nfs/dbraw/zinc/72/82/06/721728206.db2.gz ZJEIGHKMUQJLDK-AREMUKBSSA-N 0 3 478.543 4.571 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccncc3)nc3sccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913832 721732752 /nfs/dbraw/zinc/73/27/52/721732752.db2.gz YSKWJTDWBRGKLD-DEOSSOPVSA-N 0 3 478.572 4.886 20 0 JJADHN CSc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164963790 722057291 /nfs/dbraw/zinc/05/72/91/722057291.db2.gz KYBOWHBAXCNTBY-UHFFFAOYSA-N 0 3 469.001 4.516 20 0 JJADHN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961636 722061283 /nfs/dbraw/zinc/06/12/83/722061283.db2.gz NJJJAHYXTXJEFX-UHFFFAOYSA-N 0 3 490.904 4.813 20 0 JJADHN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964679 722062314 /nfs/dbraw/zinc/06/23/14/722062314.db2.gz HWCBLFGXRXZNBO-UHFFFAOYSA-N 0 3 462.972 4.671 20 0 JJADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966460 722062496 /nfs/dbraw/zinc/06/24/96/722062496.db2.gz UIOORQVCCZWPME-UHFFFAOYSA-N 0 3 470.976 4.550 20 0 JJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164985810 722107964 /nfs/dbraw/zinc/10/79/64/722107964.db2.gz WYSXCJSIYBEZLO-FQRUVTKNSA-N 0 3 487.554 4.697 20 0 JJADHN Clc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979199 722108340 /nfs/dbraw/zinc/10/83/40/722108340.db2.gz PNNUDXAVSNBRKQ-KBPBESRZSA-N 0 3 462.208 4.818 20 0 JJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164979134 722111735 /nfs/dbraw/zinc/11/17/35/722111735.db2.gz PDNFUZFKYFRJMQ-VWNXMTODSA-N 0 3 471.630 4.789 20 0 JJADHN c1ccc(-c2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975717 722114733 /nfs/dbraw/zinc/11/47/33/722114733.db2.gz KLRYTBCMXMJADN-SVBPBHIXSA-N 0 3 477.612 4.933 20 0 JJADHN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976336 722123155 /nfs/dbraw/zinc/12/31/55/722123155.db2.gz LEVIVFSOEHRJBM-VQIMIIECSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973206 722123511 /nfs/dbraw/zinc/12/35/11/722123511.db2.gz GWCOSTLKSQNVOC-UZLBHIALSA-N 0 3 494.373 4.604 20 0 JJADHN c1ccc(COc2ccc3nc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc3c2)cc1 ZINC001164983211 722126252 /nfs/dbraw/zinc/12/62/52/722126252.db2.gz YMDBCYIVRGEEHH-WNJJXGMVSA-N 0 3 480.612 4.936 20 0 JJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1 ZINC001164982795 722141809 /nfs/dbraw/zinc/14/18/09/722141809.db2.gz SRWHFFAWBRVICC-GJZUVCINSA-N 0 3 469.564 4.558 20 0 JJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972153 722152543 /nfs/dbraw/zinc/15/25/43/722152543.db2.gz GAPOIMGERAVSBL-RXVVDRJESA-N 0 3 488.394 4.712 20 0 JJADHN Clc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973849 722154343 /nfs/dbraw/zinc/15/43/43/722154343.db2.gz NCGMUYYYOGTGCF-GCJKJVERSA-N 0 3 486.403 4.698 20 0 JJADHN Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164972804 722158002 /nfs/dbraw/zinc/15/80/02/722158002.db2.gz JQXHQEPMWVPDKY-URXFXBBRSA-N 0 3 499.993 4.773 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(I)cc1 ZINC001359720450 1064268055 /nfs/dbraw/zinc/26/80/55/1064268055.db2.gz SEECHKIGVAVFAF-UHFFFAOYSA-N 0 3 495.453 4.613 20 0 JJADHN CC(C)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001359724712 1064272475 /nfs/dbraw/zinc/27/24/75/1064272475.db2.gz SQZUYVPRLDWITN-FCHUYYIVSA-N 0 3 453.656 4.604 20 0 JJADHN CC(C)c1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)Cc1ccccc1 ZINC001359727905 1064274740 /nfs/dbraw/zinc/27/47/40/1064274740.db2.gz LBRXVDVSWJZQJG-DNQXCXABSA-N 0 3 496.700 4.663 20 0 JJADHN CC(C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001359728457 1064275835 /nfs/dbraw/zinc/27/58/35/1064275835.db2.gz DEPDNSDCAMPJKY-HSZRJFAPSA-N 0 3 452.691 4.660 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC001545880142 1064296427 /nfs/dbraw/zinc/29/64/27/1064296427.db2.gz RGYPCRYWPDMKMK-QUCCMNQESA-N 0 3 452.624 4.576 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@H]1N(C)CCCC1(C)C ZINC001545884816 1064301319 /nfs/dbraw/zinc/30/13/19/1064301319.db2.gz GDWBGELASIHFNB-HXUWFJFHSA-N 0 3 494.675 4.723 20 0 JJADHN CC(C)[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCN2CC=CCC2)CCS1 ZINC001359746310 1064323665 /nfs/dbraw/zinc/32/36/65/1064323665.db2.gz DBGMHXUJZYMOKQ-HXUWFJFHSA-N 0 3 476.488 4.547 20 0 JJADHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001359746659 1064324961 /nfs/dbraw/zinc/32/49/61/1064324961.db2.gz KVTCSEUUYMQJBA-PMACEKPBSA-N 0 3 460.047 4.824 20 0 JJADHN COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001434920355 1064348034 /nfs/dbraw/zinc/34/80/34/1064348034.db2.gz BHUJYVYTJRMHJV-UHFFFAOYSA-N 0 3 456.011 4.983 20 0 JJADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359809165 1064482660 /nfs/dbraw/zinc/48/26/60/1064482660.db2.gz IRTSPVFYPQNXEZ-HSZRJFAPSA-N 0 3 497.581 4.646 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC001435064070 1064483508 /nfs/dbraw/zinc/48/35/08/1064483508.db2.gz IOSLGKJFXLNJSN-UHFFFAOYSA-N 0 3 454.924 4.558 20 0 JJADHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1-c1ccccn1 ZINC001435065786 1064485299 /nfs/dbraw/zinc/48/52/99/1064485299.db2.gz QFQHRNNDIMODPL-UHFFFAOYSA-N 0 3 457.496 4.980 20 0 JJADHN O=C(c1cnc(Br)c(Cl)c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001435068287 1064489432 /nfs/dbraw/zinc/48/94/32/1064489432.db2.gz PLGBZLYRJMZMEJ-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1OC1CCCC1 ZINC001359847024 1064533572 /nfs/dbraw/zinc/53/35/72/1064533572.db2.gz GCDVNMCPNKNYTN-UHFFFAOYSA-N 0 3 459.428 4.903 20 0 JJADHN COc1cccc(COCC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001359847275 1064533638 /nfs/dbraw/zinc/53/36/38/1064533638.db2.gz LCWCHWMESXWNQO-UHFFFAOYSA-N 0 3 451.394 4.643 20 0 JJADHN Cc1nc2cc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)ccc2n1Cc1ccsc1 ZINC001359853636 1064541553 /nfs/dbraw/zinc/54/15/53/1064541553.db2.gz MCCZNIDMKHOAFW-UHFFFAOYSA-N 0 3 450.583 4.798 20 0 JJADHN CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359856173 1064543981 /nfs/dbraw/zinc/54/39/81/1064543981.db2.gz WQNZODQRRSBHJV-UHFFFAOYSA-N 0 3 465.564 4.531 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1Cc1csc(CCc2ccccc2)n1 ZINC001359857765 1064544794 /nfs/dbraw/zinc/54/47/94/1064544794.db2.gz GIHXKRVQQUFOQS-UHFFFAOYSA-N 0 3 466.699 4.545 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC001435188765 1064577674 /nfs/dbraw/zinc/57/76/74/1064577674.db2.gz NUMPJVLWQXLZOM-AHWVRZQESA-N 0 3 457.574 4.612 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)[C@@H]1CCCN(C)C1 ZINC001435188701 1064577817 /nfs/dbraw/zinc/57/78/17/1064577817.db2.gz NSRHEIXFXFXQKW-QGZVFWFLSA-N 0 3 453.892 4.777 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC001435196092 1064584055 /nfs/dbraw/zinc/58/40/55/1064584055.db2.gz QSAPHVAGYMHAQF-HSZRJFAPSA-N 0 3 455.549 4.582 20 0 JJADHN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359891315 1064591666 /nfs/dbraw/zinc/59/16/66/1064591666.db2.gz ZHOZKSPWPXHJDF-QFIPXVFZSA-N 0 3 498.535 4.877 20 0 JJADHN CC(C)CC[C@](C)(O)Cn1c(N2CCN(CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359900181 1064608440 /nfs/dbraw/zinc/60/84/40/1064608440.db2.gz VPNINMPIUAHYNA-MHZLTWQESA-N 0 3 467.702 4.713 20 0 JJADHN CC(C)CC[C@@](C)(O)Cn1c(N2CCN(CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001359900178 1064608512 /nfs/dbraw/zinc/60/85/12/1064608512.db2.gz VPNINMPIUAHYNA-HHHXNRCGSA-N 0 3 467.702 4.713 20 0 JJADHN CC(C)CCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001359903035 1064617452 /nfs/dbraw/zinc/61/74/52/1064617452.db2.gz YMDCVRPYLFOMCN-SFTDATJTSA-N 0 3 476.065 4.666 20 0 JJADHN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001359940196 1064684198 /nfs/dbraw/zinc/68/41/98/1064684198.db2.gz HQHZYEWUKNBZCU-UHFFFAOYSA-N 0 3 474.694 4.503 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CCN2CC=CCC2)cc1 ZINC001359951212 1064708874 /nfs/dbraw/zinc/70/88/74/1064708874.db2.gz UFYRTSJNDCPCSE-JOCHJYFZSA-N 0 3 455.672 4.574 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(C)CCCO2)cc1 ZINC001359955235 1064723883 /nfs/dbraw/zinc/72/38/83/1064723883.db2.gz SDTPPTBVUSGKFQ-MHZLTWQESA-N 0 3 469.674 4.860 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCCOC2)cc1 ZINC001359955279 1064724497 /nfs/dbraw/zinc/72/44/97/1064724497.db2.gz SOXKLPWWPHKXOS-JOCHJYFZSA-N 0 3 469.674 4.717 20 0 JJADHN CC(C)CN(c1nnc(-c2ccccc2F)n1CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001359986488 1064767597 /nfs/dbraw/zinc/76/75/97/1064767597.db2.gz NRWKFDHYKAJUEU-UHFFFAOYSA-N 0 3 456.654 4.515 20 0 JJADHN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCc2ccccc2C1)C(C)C ZINC001359993108 1064776055 /nfs/dbraw/zinc/77/60/55/1064776055.db2.gz NRMKLHIRXSHJGE-OAQYLSRUSA-N 0 3 494.709 4.587 20 0 JJADHN CC(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C2CCCC2)CC1 ZINC001359995268 1064780263 /nfs/dbraw/zinc/78/02/63/1064780263.db2.gz GCLXDSDHFCVWSS-UHFFFAOYSA-N 0 3 450.400 4.567 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001545891242 1064780581 /nfs/dbraw/zinc/78/05/81/1064780581.db2.gz VUNRDVYYCXDQDN-JOCHJYFZSA-N 0 3 456.011 4.968 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC001545891243 1064780668 /nfs/dbraw/zinc/78/06/68/1064780668.db2.gz VUNRDVYYCXDQDN-QFIPXVFZSA-N 0 3 456.011 4.968 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2nccs2)CC1 ZINC001360016146 1064814570 /nfs/dbraw/zinc/81/45/70/1064814570.db2.gz XLONPTBHXBEQKU-LJQANCHMSA-N 0 3 489.089 4.939 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[C@@H]2CCCCO2)CC1 ZINC001360018407 1064820057 /nfs/dbraw/zinc/82/00/57/1064820057.db2.gz ONUTXWPQNSWEEM-QFIPXVFZSA-N 0 3 490.490 4.835 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC2(C)C)CC1 ZINC001360018977 1064821725 /nfs/dbraw/zinc/82/17/25/1064821725.db2.gz WJSXMUHSWDJKLV-HNNXBMFYSA-N 0 3 452.466 4.593 20 0 JJADHN CNc1ccc(C(F)(F)F)cc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001360019146 1064821871 /nfs/dbraw/zinc/82/18/71/1064821871.db2.gz DGNQFCTUCJAPQH-UHFFFAOYSA-N 0 3 458.322 4.714 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001360019741 1064822803 /nfs/dbraw/zinc/82/28/03/1064822803.db2.gz XTACVRFWAWZBQL-FQEVSTJZSA-N 0 3 451.792 4.654 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001360029280 1064831112 /nfs/dbraw/zinc/83/11/12/1064831112.db2.gz MVTVIALZCBMHEO-UHFFFAOYSA-N 0 3 463.573 4.776 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCCS2)CC1 ZINC001360034895 1064839277 /nfs/dbraw/zinc/83/92/77/1064839277.db2.gz YPXOIHGWCYZBBK-GOSISDBHSA-N 0 3 484.497 4.838 20 0 JJADHN CCOc1c(Cl)cccc1CC(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435613808 1064876852 /nfs/dbraw/zinc/87/68/52/1064876852.db2.gz KKDOAMVJVUCOQG-OAQYLSRUSA-N 0 3 452.986 4.872 20 0 JJADHN Cc1cc(C)c(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1Br ZINC001435616388 1064878568 /nfs/dbraw/zinc/87/85/68/1064878568.db2.gz BVZAJHSBJPXQFR-IBGZPJMESA-N 0 3 453.384 4.962 20 0 JJADHN CC(C)COc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001360053329 1064881638 /nfs/dbraw/zinc/88/16/38/1064881638.db2.gz ZAYGUICJYSOPNY-UHFFFAOYSA-N 0 3 490.696 4.905 20 0 JJADHN CC(C)COCCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)CC1 ZINC001360065632 1064907173 /nfs/dbraw/zinc/90/71/73/1064907173.db2.gz ATSBNOOALRQRGD-UHFFFAOYSA-N 0 3 484.508 4.610 20 0 JJADHN O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001435888827 1065046131 /nfs/dbraw/zinc/04/61/31/1065046131.db2.gz FYMMTYSKGGMBJZ-TTYLXTBDSA-N 0 3 452.904 4.693 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)c1 ZINC001435890016 1065047136 /nfs/dbraw/zinc/04/71/36/1065047136.db2.gz RHQAYVFXDXYBSN-QGZVFWFLSA-N 0 3 458.027 4.968 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c1 ZINC001435891044 1065048071 /nfs/dbraw/zinc/04/80/71/1065048071.db2.gz WTKWPNDPRAVWTH-UHFFFAOYSA-N 0 3 458.562 4.719 20 0 JJADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCCC(F)(F)C3)C2)CC1 ZINC001360156012 1065057322 /nfs/dbraw/zinc/05/73/22/1065057322.db2.gz NJWGRXMHAMKGQE-VXKWHMMOSA-N 0 3 480.692 4.687 20 0 JJADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)cc1 ZINC001360157256 1065058814 /nfs/dbraw/zinc/05/88/14/1065058814.db2.gz HKSRBNWPGMMTRO-UHFFFAOYSA-N 0 3 459.512 4.591 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001545894476 1065081568 /nfs/dbraw/zinc/08/15/68/1065081568.db2.gz XIOCGDCHJUILEV-UPVQGACJSA-N 0 3 468.690 4.680 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)[C@H]3CCCCCC[C@H]3NC(=O)OC(C)(C)C)c2)CC1 ZINC001435975775 1065088652 /nfs/dbraw/zinc/08/86/52/1065088652.db2.gz MEKZCJFKVXOQSA-XZOQPEGZSA-N 0 3 458.647 4.631 20 0 JJADHN CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001360243135 1065096206 /nfs/dbraw/zinc/09/62/06/1065096206.db2.gz UTYMVTUVCMDSBM-UHFFFAOYSA-N 0 3 457.640 4.763 20 0 JJADHN CC(C)OCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001360376414 1065234438 /nfs/dbraw/zinc/23/44/38/1065234438.db2.gz CPIOOEBLIPUDQC-HSZRJFAPSA-N 0 3 483.701 4.606 20 0 JJADHN Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)c2n1 ZINC001360387234 1065251762 /nfs/dbraw/zinc/25/17/62/1065251762.db2.gz DJRFKLJLUZADCC-NRFANRHFSA-N 0 3 450.970 4.615 20 0 JJADHN CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001360387120 1065252057 /nfs/dbraw/zinc/25/20/57/1065252057.db2.gz AEZFXPNEFPEIAT-DNQXCXABSA-N 0 3 453.652 4.749 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)C1 ZINC001436280879 1065285489 /nfs/dbraw/zinc/28/54/89/1065285489.db2.gz PWQUZRGQVFTKIO-OIEGUCRUSA-N 0 3 453.671 4.612 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc4cccc(C)c4nc3Cl)CC2)cc1 ZINC001436318717 1065296177 /nfs/dbraw/zinc/29/61/77/1065296177.db2.gz RYWBUSNKVMZBFI-UHFFFAOYSA-N 0 3 450.970 4.549 20 0 JJADHN C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001360428124 1065300143 /nfs/dbraw/zinc/30/01/43/1065300143.db2.gz CSBMOCUTVHSFDL-MGPUTAFESA-N 0 3 471.581 4.519 20 0 JJADHN C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001360433854 1065313064 /nfs/dbraw/zinc/31/30/64/1065313064.db2.gz ZCBFPLPOXGUULN-LJQANCHMSA-N 0 3 452.647 4.545 20 0 JJADHN CC(=O)N[C@H](CC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435748 1065318698 /nfs/dbraw/zinc/31/86/98/1065318698.db2.gz YYEIWUPWKHWJRD-BJKOFHAPSA-N 0 3 455.668 4.507 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Br)ccc1OC(F)F ZINC001360465582 1065374533 /nfs/dbraw/zinc/37/45/33/1065374533.db2.gz WTYWQEAOOFTMKM-HNNXBMFYSA-N 0 3 453.327 4.787 20 0 JJADHN Cc1cc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1Br ZINC001436620317 1065400708 /nfs/dbraw/zinc/40/07/08/1065400708.db2.gz XCXGUWQPUBVPFB-FQEVSTJZSA-N 0 3 455.318 4.828 20 0 JJADHN C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360503387 1065431490 /nfs/dbraw/zinc/43/14/90/1065431490.db2.gz KFIUFSRFMCYNEU-AUSIDOKSSA-N 0 3 476.650 4.868 20 0 JJADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001360517114 1065479347 /nfs/dbraw/zinc/47/93/47/1065479347.db2.gz XIVGPXSXLXIUOH-OAQYLSRUSA-N 0 3 488.721 4.578 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(OC)cc2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545904059 1065496231 /nfs/dbraw/zinc/49/62/31/1065496231.db2.gz NMTKCYMVXWJHDR-BWKNWUBXSA-N 0 3 496.700 4.667 20 0 JJADHN CC(C)N(C(=O)c1csc(COc2ccc(F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001437026785 1065498831 /nfs/dbraw/zinc/49/88/31/1065498831.db2.gz GSJFBOALNBAAOW-NRFANRHFSA-N 0 3 453.583 4.986 20 0 JJADHN C[C@H](CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccs1)N(C)C)c1nccs1 ZINC001360525314 1065501702 /nfs/dbraw/zinc/50/17/02/1065501702.db2.gz SFHOQYBHZAGHCW-FGTMMUONSA-N 0 3 460.673 4.581 20 0 JJADHN C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360525377 1065502133 /nfs/dbraw/zinc/50/21/33/1065502133.db2.gz TWPHVSMMDJKPEW-CEMLEFRQSA-N 0 3 453.656 4.776 20 0 JJADHN C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360578434 1065574037 /nfs/dbraw/zinc/57/40/37/1065574037.db2.gz IYPHKPKRIZVDEG-GOSISDBHSA-N 0 3 474.074 4.972 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H](C)N1CCC(C)CC1 ZINC001545912296 1065653467 /nfs/dbraw/zinc/65/34/67/1065653467.db2.gz NOVIVQLMSCNNNC-UNMCSNQZSA-N 0 3 486.730 4.590 20 0 JJADHN CC(F)(F)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001360626768 1065672075 /nfs/dbraw/zinc/67/20/75/1065672075.db2.gz UOUFETBMUDDTOY-UHFFFAOYSA-N 0 3 468.390 4.818 20 0 JJADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001360641341 1065713537 /nfs/dbraw/zinc/71/35/37/1065713537.db2.gz GYKHNSWFYDKCBH-ZJSXRUAMSA-N 0 3 496.700 4.807 20 0 JJADHN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1CCCN1Cc1ccccc1 ZINC001360681211 1065734804 /nfs/dbraw/zinc/73/48/04/1065734804.db2.gz ANVZRTUTIHXZRL-OAQYLSRUSA-N 0 3 456.011 4.699 20 0 JJADHN Cc1c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001360748407 1065789783 /nfs/dbraw/zinc/78/97/83/1065789783.db2.gz YCLTYJMKGLWAJS-GOSISDBHSA-N 0 3 456.512 4.936 20 0 JJADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN1CCCCC1 ZINC001360754450 1065805279 /nfs/dbraw/zinc/80/52/79/1065805279.db2.gz UXCIJORXSGTHIL-QGZVFWFLSA-N 0 3 492.455 4.581 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCCOC2)n1C[C@H](c1cccs1)N(C)C ZINC001360764797 1065846449 /nfs/dbraw/zinc/84/64/49/1065846449.db2.gz FMNZOZWZHTVPID-QKNQBKEWSA-N 0 3 487.645 4.784 20 0 JJADHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cnc(Br)c(Cl)c1 ZINC001439818960 1065882392 /nfs/dbraw/zinc/88/23/92/1065882392.db2.gz NDQDMMRUOWDOAV-PZJWPPBQSA-N 0 3 470.798 4.896 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1(c2ccccc2C)CC1 ZINC001545925740 1065887294 /nfs/dbraw/zinc/88/72/94/1065887294.db2.gz UUUQHBFOTLCRGI-UHFFFAOYSA-N 0 3 494.728 4.795 20 0 JJADHN CN1CCCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001439887921 1065889188 /nfs/dbraw/zinc/88/91/88/1065889188.db2.gz GBUWFOQVSWPJGY-HXUWFJFHSA-N 0 3 453.384 4.516 20 0 JJADHN CCCN(C(=O)[C@H]1Cc2cc(Br)ccc2O1)C1CCN(Cc2ccccc2)CC1 ZINC001440072228 1065908919 /nfs/dbraw/zinc/90/89/19/1065908919.db2.gz FFFJDYVFLQJWBC-HSZRJFAPSA-N 0 3 457.412 4.656 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001360832268 1065943715 /nfs/dbraw/zinc/94/37/15/1065943715.db2.gz IQGDPRMMLAEXIG-SFHVURJKSA-N 0 3 478.106 4.963 20 0 JJADHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(I)c(Cl)c1 ZINC001440534499 1065948465 /nfs/dbraw/zinc/94/84/65/1065948465.db2.gz DTYVJYIIHYIHTI-SFHVURJKSA-N 0 3 454.739 4.512 20 0 JJADHN CCc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)N(C)C)cc1 ZINC001440669735 1065961173 /nfs/dbraw/zinc/96/11/73/1065961173.db2.gz ALLUNCQFKWPAPE-NRFANRHFSA-N 0 3 451.592 4.604 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)c2ccccc2CCN(C)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001440669921 1065961382 /nfs/dbraw/zinc/96/13/82/1065961382.db2.gz DPGLCLBXAIUKHN-XMMPIXPASA-N 0 3 453.627 4.691 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001440679855 1065964971 /nfs/dbraw/zinc/96/49/71/1065964971.db2.gz VXKVLNMVSYCODF-NHCUHLMSSA-N 0 3 455.624 4.883 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC=CCC2)CC1 ZINC001360851831 1065965984 /nfs/dbraw/zinc/96/59/84/1065965984.db2.gz RVROGGWBXYANOV-UHFFFAOYSA-N 0 3 462.823 4.739 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CCN2CCCCC2)c1 ZINC001360857781 1065976037 /nfs/dbraw/zinc/97/60/37/1065976037.db2.gz MHZJYEQKOLVRHS-UHFFFAOYSA-N 0 3 488.474 4.839 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001441189519 1066013498 /nfs/dbraw/zinc/01/34/98/1066013498.db2.gz SQRGSYCGKHCOQQ-MUUNZHRXSA-N 0 3 458.602 4.732 20 0 JJADHN Cc1cccc(COc2cccc(C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)c2)c1 ZINC001441247756 1066020271 /nfs/dbraw/zinc/02/02/71/1066020271.db2.gz SXDOYBQXGXAXSM-MUUNZHRXSA-N 0 3 457.618 4.683 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CC[C@H](F)C2)c1C ZINC001360876870 1066021357 /nfs/dbraw/zinc/02/13/57/1066021357.db2.gz CFHCHHGAFWCOKZ-VJBWXMMDSA-N 0 3 457.638 4.951 20 0 JJADHN CCN1CCN(CCCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001441306571 1066024485 /nfs/dbraw/zinc/02/44/85/1066024485.db2.gz FUSDJEIBDMJAFK-UHFFFAOYSA-N 0 3 453.414 4.529 20 0 JJADHN CCN1CCN(Cc2ccccc2CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC001441311489 1066024820 /nfs/dbraw/zinc/02/48/20/1066024820.db2.gz LUQQHPFRTUVKGY-UHFFFAOYSA-N 0 3 454.058 4.996 20 0 JJADHN O=C(/C=C/CCc1ccccc1)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001441323751 1066028324 /nfs/dbraw/zinc/02/83/24/1066028324.db2.gz OVFWSSNALWMVLO-LHHJGKSTSA-N 0 3 459.556 4.913 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CCCCC2)c1C ZINC001360879676 1066031075 /nfs/dbraw/zinc/03/10/75/1066031075.db2.gz OHOHXNICSVRMQC-YADHBBJMSA-N 0 3 455.647 4.525 20 0 JJADHN CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001442068965 1066089537 /nfs/dbraw/zinc/08/95/37/1066089537.db2.gz FOXFMOCLOOOSPJ-IERDGZPVSA-N 0 3 453.384 4.690 20 0 JJADHN CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001442068975 1066089781 /nfs/dbraw/zinc/08/97/81/1066089781.db2.gz FOXFMOCLOOOSPJ-KKSFZXQISA-N 0 3 453.384 4.690 20 0 JJADHN CC1CCN([C@H](CNC(=O)c2ccc3cncc(Br)c3n2)c2ccccc2)CC1 ZINC001442081210 1066091396 /nfs/dbraw/zinc/09/13/96/1066091396.db2.gz WUKYAPNMUGMBPO-OAQYLSRUSA-N 0 3 453.384 4.595 20 0 JJADHN CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001442082536 1066091691 /nfs/dbraw/zinc/09/16/91/1066091691.db2.gz ZPKINUGZZDVGAQ-NFBKMPQASA-N 0 3 459.594 4.840 20 0 JJADHN CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001442082571 1066091942 /nfs/dbraw/zinc/09/19/42/1066091942.db2.gz ZPKINUGZZDVGAQ-OFNKIYASSA-N 0 3 459.594 4.840 20 0 JJADHN Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360947429 1066102431 /nfs/dbraw/zinc/10/24/31/1066102431.db2.gz LRKCEDVAAONFSS-FQEVSTJZSA-N 0 3 466.680 4.829 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)cc2Cl)CC1 ZINC001442246416 1066107895 /nfs/dbraw/zinc/10/78/95/1066107895.db2.gz OKGOVBRFTZYNEV-RUZDIDTESA-N 0 3 455.046 4.865 20 0 JJADHN CC(C)(CNC(=O)c1cc(Br)cc(N2CCCC2)c1)N1CCc2ccccc2C1 ZINC001442332311 1066116961 /nfs/dbraw/zinc/11/69/61/1066116961.db2.gz OAONIRKNTNHIBJ-UHFFFAOYSA-N 0 3 456.428 4.616 20 0 JJADHN C[C@@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330455 1066117136 /nfs/dbraw/zinc/11/71/36/1066117136.db2.gz CXUUSVNTZXKUFM-FQEVSTJZSA-N 0 3 457.659 4.613 20 0 JJADHN O=C(CC1(N2CCOCC2)CCCC1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC001442393860 1066123715 /nfs/dbraw/zinc/12/37/15/1066123715.db2.gz ITJNXCDMDGIURK-QHCPKHFHSA-N 0 3 457.412 4.690 20 0 JJADHN Cc1csc(CNc2cccc(C(=O)Nc3ccc(CCN4CCSCC4)cc3)c2)n1 ZINC001442550124 1066136165 /nfs/dbraw/zinc/13/61/65/1066136165.db2.gz RHGLNASEZWVBCI-UHFFFAOYSA-N 0 3 452.649 4.907 20 0 JJADHN Cc1c2cc(C(=O)N(CCN(C)C)Cc3ccc(F)c(F)c3)[nH]c2ccc1Br ZINC001442718565 1066155308 /nfs/dbraw/zinc/15/53/08/1066155308.db2.gz FBTPZVVPDJUIDY-UHFFFAOYSA-N 0 3 450.327 4.721 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1 ZINC001442730388 1066156064 /nfs/dbraw/zinc/15/60/64/1066156064.db2.gz USZBLBJAPLYVQU-UHFFFAOYSA-N 0 3 455.484 4.781 20 0 JJADHN Cc1cc(C)cc(CCn2c([C@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001361017359 1066206339 /nfs/dbraw/zinc/20/63/39/1066206339.db2.gz QWWJOQGHBLWHRX-DEOSSOPVSA-N 0 3 453.675 4.590 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)/C=C/c3csc(C(F)(F)F)c3)C2)ccn1 ZINC001454006746 1066232958 /nfs/dbraw/zinc/23/29/58/1066232958.db2.gz BTBQLUJBONUYAO-PXPVJAHISA-N 0 3 453.530 4.695 20 0 JJADHN Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015138 1066234716 /nfs/dbraw/zinc/23/47/16/1066234716.db2.gz QQXPLLPQVLSHJL-PXDATVDWSA-N 0 3 453.627 4.801 20 0 JJADHN Cc1cc(O[C@H](C)C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015098 1066234822 /nfs/dbraw/zinc/23/48/22/1066234822.db2.gz QQXPLLPQVLSHJL-BWKNWUBXSA-N 0 3 453.627 4.801 20 0 JJADHN Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1C(C)C ZINC001454015130 1066234949 /nfs/dbraw/zinc/23/49/49/1066234949.db2.gz QQXPLLPQVLSHJL-OFVILXPXSA-N 0 3 453.627 4.801 20 0 JJADHN CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)C[C@H](C)N1 ZINC001454061300 1066241964 /nfs/dbraw/zinc/24/19/64/1066241964.db2.gz BUDGIBMYDVMAMZ-SIKLNZKXSA-N 0 3 477.678 4.923 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001361035182 1066253083 /nfs/dbraw/zinc/25/30/83/1066253083.db2.gz AFCHMICSKUDJFI-NRFANRHFSA-N 0 3 461.601 4.687 20 0 JJADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308026 1066267786 /nfs/dbraw/zinc/26/77/86/1066267786.db2.gz DKQZMYNPYDXOJO-WUFINQPMSA-N 0 3 459.609 4.726 20 0 JJADHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308004 1066268050 /nfs/dbraw/zinc/26/80/50/1066268050.db2.gz DKQZMYNPYDXOJO-IZLXSDGUSA-N 0 3 459.609 4.726 20 0 JJADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cnn(-c2ccccc2)c1Br ZINC001443152202 1066274297 /nfs/dbraw/zinc/27/42/97/1066274297.db2.gz AQECLSDKZIAQPS-NRFANRHFSA-N 0 3 453.384 4.592 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396023 1066277581 /nfs/dbraw/zinc/27/75/81/1066277581.db2.gz BGETZDSLOJZXBZ-DNVCBOLYSA-N 0 3 454.924 4.583 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)c1 ZINC001443241107 1066283795 /nfs/dbraw/zinc/28/37/95/1066283795.db2.gz UHGYAGDYJMZTMQ-UHFFFAOYSA-N 0 3 450.652 4.987 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(O)ccc2C(F)(F)F)cc1 ZINC001454632714 1066312742 /nfs/dbraw/zinc/31/27/42/1066312742.db2.gz IBSVGXNSYXMZIH-LADGPHEKSA-N 0 3 470.491 4.818 20 0 JJADHN CCCN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623591 1066338915 /nfs/dbraw/zinc/33/89/15/1066338915.db2.gz KIWPVAYYTKQCLM-URXFXBBRSA-N 0 3 457.659 4.578 20 0 JJADHN Cc1cc(F)ccc1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001361094586 1066345145 /nfs/dbraw/zinc/34/51/45/1066345145.db2.gz DFCVLCLUEAZNPF-UHFFFAOYSA-N 0 3 456.997 4.604 20 0 JJADHN Cc1nc2ccc(Br)cn2c1C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001455070115 1066357413 /nfs/dbraw/zinc/35/74/13/1066357413.db2.gz DZDCSJKIKRDABG-HXUWFJFHSA-N 0 3 455.400 4.532 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361127158 1066387219 /nfs/dbraw/zinc/38/72/19/1066387219.db2.gz GHQIRHLXRANWGK-DEOSSOPVSA-N 0 3 496.744 4.941 20 0 JJADHN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461367 1066393559 /nfs/dbraw/zinc/39/35/59/1066393559.db2.gz CNHKUDLJUTZEDM-WXVAWEFUSA-N 0 3 451.630 4.764 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)c1 ZINC001361129906 1066394663 /nfs/dbraw/zinc/39/46/63/1066394663.db2.gz GCRGSDXIEDNRJV-HHHXNRCGSA-N 0 3 469.674 4.779 20 0 JJADHN Cc1ccc([C@@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)C2CCC2)N(C)C)cc1 ZINC001361139339 1066414499 /nfs/dbraw/zinc/41/44/99/1066414499.db2.gz IDDLAJMSOKHIIU-LADGPHEKSA-N 0 3 496.700 4.993 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001361140847 1066418725 /nfs/dbraw/zinc/41/87/25/1066418725.db2.gz HPRUENGQSBUULU-FUPPJEDESA-N 0 3 482.698 4.901 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(C)(C)C)C2)N(C)C)cc1 ZINC001361141007 1066419400 /nfs/dbraw/zinc/41/94/00/1066419400.db2.gz JWJFVHAJFUMVCY-FGZHOGPDSA-N 0 3 494.709 4.753 20 0 JJADHN Cc1ccc([C@@H](Cn2c(Cc3cccnc3)nnc2N(C)Cc2cc(Cl)ccn2)N(C)C)cc1 ZINC001361140919 1066419419 /nfs/dbraw/zinc/41/94/19/1066419419.db2.gz ITNGXYLEHVDTKO-XMMPIXPASA-N 0 3 476.028 4.560 20 0 JJADHN Cc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CC(C)(C)OC(C)(C)C2)N(C)C)cc1 ZINC001361140902 1066419447 /nfs/dbraw/zinc/41/94/47/1066419447.db2.gz ILHDTAHJBURNIO-QFIPXVFZSA-N 0 3 467.683 4.936 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CCCC[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361141609 1066420988 /nfs/dbraw/zinc/42/09/88/1066420988.db2.gz ONILNKMNWMUVMC-WFIHMLKPSA-N 0 3 469.674 4.556 20 0 JJADHN CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444163972 1066423602 /nfs/dbraw/zinc/42/36/02/1066423602.db2.gz HASKHUBHYFRFBW-JIPXPUAJSA-N 0 3 459.675 4.775 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2CCN2CCCCC2)c1 ZINC001361146220 1066432163 /nfs/dbraw/zinc/43/21/63/1066432163.db2.gz WMPXJBCAXDOZRF-UHFFFAOYSA-N 0 3 469.033 4.645 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)c2ccccn2)c1 ZINC001361159562 1066464584 /nfs/dbraw/zinc/46/45/84/1066464584.db2.gz CCYRAIRLUVUGAJ-UHFFFAOYSA-N 0 3 476.669 4.625 20 0 JJADHN O=C(CCc1cccc(OC(F)F)c1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444645133 1066487976 /nfs/dbraw/zinc/48/79/76/1066487976.db2.gz CLDOEJFSLUJETC-UHFFFAOYSA-N 0 3 452.929 4.534 20 0 JJADHN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001546078913 1066496040 /nfs/dbraw/zinc/49/60/40/1066496040.db2.gz BOFJBTIIFDNRCN-WYNJNVBPSA-N 0 3 496.700 4.978 20 0 JJADHN Cc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001456056019 1066496746 /nfs/dbraw/zinc/49/67/46/1066496746.db2.gz MTKAQYDGBHEQFR-UHFFFAOYSA-N 0 3 454.206 4.724 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001456062254 1066498836 /nfs/dbraw/zinc/49/88/36/1066498836.db2.gz XUCXMYCNYBCSTP-UHFFFAOYSA-N 0 3 451.533 4.801 20 0 JJADHN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001444894912 1066516965 /nfs/dbraw/zinc/51/69/65/1066516965.db2.gz TZCPZOJBVYQHEV-YKSBVNFPSA-N 0 3 456.030 4.608 20 0 JJADHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001444919585 1066518261 /nfs/dbraw/zinc/51/82/61/1066518261.db2.gz IEMFVMZMNHGKKW-DEOSSOPVSA-N 0 3 459.993 4.602 20 0 JJADHN Cc1ccc(-c2nnc(N3CCCC3)n2C[C@H](c2ccsc2)N(C)C)cc1Br ZINC001361218639 1066555291 /nfs/dbraw/zinc/55/52/91/1066555291.db2.gz PRTNGUHHISYAPD-LJQANCHMSA-N 0 3 460.445 4.981 20 0 JJADHN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001456305864 1066559495 /nfs/dbraw/zinc/55/94/95/1066559495.db2.gz QDZJUPDZIVCBCA-JOCHJYFZSA-N 0 3 452.664 4.913 20 0 JJADHN C[C@H]1CN(CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@H](C)O1 ZINC001445344692 1066559958 /nfs/dbraw/zinc/55/99/58/1066559958.db2.gz FRQHMYHDOZGECD-KBPBESRZSA-N 0 3 457.459 4.858 20 0 JJADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@@H](C)O1 ZINC001445344697 1066560078 /nfs/dbraw/zinc/56/00/78/1066560078.db2.gz FRQHMYHDOZGECD-ZIAGYGMSSA-N 0 3 457.459 4.858 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC001361224209 1066562361 /nfs/dbraw/zinc/56/23/61/1066562361.db2.gz MGJMEAJMSLFZRU-OALUTQOASA-N 0 3 453.553 4.993 20 0 JJADHN CSc1cccc(N(C(=O)Cc2sc(CC(F)(F)F)nc2C)C2CCN(C)CC2)c1 ZINC001456330034 1066563774 /nfs/dbraw/zinc/56/37/74/1066563774.db2.gz AUQIFEGIJGKRII-UHFFFAOYSA-N 0 3 457.587 4.948 20 0 JJADHN CSc1cccc(N(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C2CCN(C)CC2)c1 ZINC001456330265 1066563971 /nfs/dbraw/zinc/56/39/71/1066563971.db2.gz BIWICXGHQCRSTD-UHFFFAOYSA-N 0 3 452.546 4.701 20 0 JJADHN O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456435009 1066584941 /nfs/dbraw/zinc/58/49/41/1066584941.db2.gz WRDGZEJKQAQULW-UHFFFAOYSA-N 0 3 450.529 4.997 20 0 JJADHN CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCCN(Cc3ccccc3)CCOCC2)cc1 ZINC001456437376 1066585960 /nfs/dbraw/zinc/58/59/60/1066585960.db2.gz NCPLHWKUQXOWQP-AREMUKBSSA-N 0 3 452.639 4.549 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCN2CC=CCC2)o1 ZINC001361250020 1066595867 /nfs/dbraw/zinc/59/58/67/1066595867.db2.gz OAPFFYDVOULYCO-UHFFFAOYSA-N 0 3 456.388 4.507 20 0 JJADHN O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001445631089 1066596430 /nfs/dbraw/zinc/59/64/30/1066596430.db2.gz NZMKTHOWVGQTMN-NRFANRHFSA-N 0 3 450.411 4.748 20 0 JJADHN CN(C)CCSc1nc(CC(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cs1 ZINC001445636373 1066596836 /nfs/dbraw/zinc/59/68/36/1066596836.db2.gz ZXOYRRJPJOMUDW-UHFFFAOYSA-N 0 3 452.605 4.710 20 0 JJADHN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)nc2)c1 ZINC001456499299 1066601593 /nfs/dbraw/zinc/60/15/93/1066601593.db2.gz JGQBPGCDQOZPIB-QFIPXVFZSA-N 0 3 458.562 4.601 20 0 JJADHN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)ccc2c1 ZINC001456501813 1066602971 /nfs/dbraw/zinc/60/29/71/1066602971.db2.gz YECSYEADNOJQBE-DFBJGRDBSA-N 0 3 459.590 4.757 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC001446085176 1066657487 /nfs/dbraw/zinc/65/74/87/1066657487.db2.gz GQMSFOFZFNZLPK-RDGATRHJSA-N 0 3 452.595 4.862 20 0 JJADHN CCCc1c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)nnn1-c1cccc(Cl)c1 ZINC001456774126 1066687169 /nfs/dbraw/zinc/68/71/69/1066687169.db2.gz WIMADDPDDMUVDJ-ZHRRBRCNSA-N 0 3 458.031 4.748 20 0 JJADHN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NC[C@@H]2CCCCN2C)c1=S ZINC001456799342 1066693509 /nfs/dbraw/zinc/69/35/09/1066693509.db2.gz QGVDXJCEPGLXRE-IBGZPJMESA-N 0 3 450.052 4.525 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc(Cl)cc(F)c2Br)cc1 ZINC001446354748 1066695617 /nfs/dbraw/zinc/69/56/17/1066695617.db2.gz PSYSYVCKQDVZGO-GOSISDBHSA-N 0 3 455.755 4.817 20 0 JJADHN O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001446364050 1066696995 /nfs/dbraw/zinc/69/69/95/1066696995.db2.gz GUPGYNRXAZNWOB-HXUWFJFHSA-N 0 3 456.428 4.684 20 0 JJADHN CC(C)Oc1ccc(Br)cc1NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001446388558 1066700460 /nfs/dbraw/zinc/70/04/60/1066700460.db2.gz GDVICGWYAOFFRL-UHFFFAOYSA-N 0 3 458.447 4.528 20 0 JJADHN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C(C[C@H]1COCCO1)C(F)(F)F ZINC001446462483 1066706776 /nfs/dbraw/zinc/70/67/76/1066706776.db2.gz UXNJARPVNCQOAX-ZFWWWQNUSA-N 0 3 452.454 4.591 20 0 JJADHN Cc1sc(Br)nc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001457035343 1066749620 /nfs/dbraw/zinc/74/96/20/1066749620.db2.gz HHWSHLMYQSMOIZ-UHFFFAOYSA-N 0 3 458.425 4.988 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647124 1066751003 /nfs/dbraw/zinc/75/10/03/1066751003.db2.gz XTADVQUHAMACLO-YADHBBJMSA-N 0 3 457.619 4.968 20 0 JJADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC001545991730 1066766653 /nfs/dbraw/zinc/76/66/53/1066766653.db2.gz YHRSENYOMYIWTR-SFHVURJKSA-N 0 3 456.428 4.998 20 0 JJADHN Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@@H](c2ccccc2)N(C)C)cs1 ZINC001492663722 1066783896 /nfs/dbraw/zinc/78/38/96/1066783896.db2.gz HQJJMUIIDDEBLN-CKRJSAQMSA-N 0 3 452.672 4.952 20 0 JJADHN Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001492665913 1066788307 /nfs/dbraw/zinc/78/83/07/1066788307.db2.gz CGXOQXHFKWAMEJ-FQEVSTJZSA-N 0 3 488.633 4.913 20 0 JJADHN CS[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@@H]1N1CCCC1 ZINC001447362547 1066798456 /nfs/dbraw/zinc/79/84/56/1066798456.db2.gz MFJHXSWMWWDOQH-QFBILLFUSA-N 0 3 451.455 4.829 20 0 JJADHN CS[C@@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@H]1N1CCCC1 ZINC001447362554 1066798475 /nfs/dbraw/zinc/79/84/75/1066798475.db2.gz MFJHXSWMWWDOQH-VQIMIIECSA-N 0 3 451.455 4.829 20 0 JJADHN CCN(C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001447361488 1066798526 /nfs/dbraw/zinc/79/85/26/1066798526.db2.gz RWGIWICHTRAQCZ-XTEPFMGCSA-N 0 3 458.602 4.812 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671342 1066802041 /nfs/dbraw/zinc/80/20/41/1066802041.db2.gz VBZWPUKASZPYIJ-DRSNIGMVSA-N 0 3 456.635 4.558 20 0 JJADHN Cc1nc(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671992 1066803905 /nfs/dbraw/zinc/80/39/05/1066803905.db2.gz KJLUKRLQEQQPFW-SIKLNZKXSA-N 0 3 470.662 4.948 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363764 1066817066 /nfs/dbraw/zinc/81/70/66/1066817066.db2.gz NJCQBVLROLQQAW-HFJWLAOPSA-N 0 3 455.599 4.652 20 0 JJADHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC001447554959 1066820769 /nfs/dbraw/zinc/82/07/69/1066820769.db2.gz HXNXRAPAMVWZJB-LYHRCORUSA-N 0 3 479.612 4.890 20 0 JJADHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC001447567598 1066823302 /nfs/dbraw/zinc/82/33/02/1066823302.db2.gz JVVWBTIOIVOEFQ-UHFFFAOYSA-N 0 3 459.377 4.560 20 0 JJADHN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001492686545 1066831579 /nfs/dbraw/zinc/83/15/79/1066831579.db2.gz DFIGLQHESJHEOW-FQEVSTJZSA-N 0 3 482.698 4.963 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 ZINC001447712792 1066845677 /nfs/dbraw/zinc/84/56/77/1066845677.db2.gz QFEDHVOEMLBOSA-UHFFFAOYSA-N 0 3 455.649 4.956 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457531501 1066853695 /nfs/dbraw/zinc/85/36/95/1066853695.db2.gz ATXMMOSPAJKQRI-XMMPIXPASA-N 0 3 451.014 4.808 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457531487 1066853824 /nfs/dbraw/zinc/85/38/24/1066853824.db2.gz ATXMMOSPAJKQRI-DEOSSOPVSA-N 0 3 451.014 4.808 20 0 JJADHN Cc1c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001457537648 1066854499 /nfs/dbraw/zinc/85/44/99/1066854499.db2.gz NLXCQDAYMGYQFI-QFIPXVFZSA-N 0 3 456.512 4.936 20 0 JJADHN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)N1CCc2ccccc2C1 ZINC001546002058 1066889456 /nfs/dbraw/zinc/88/94/56/1066889456.db2.gz YVBGOPZYKPAWSD-HSZRJFAPSA-N 0 3 466.699 4.953 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128283 1066902992 /nfs/dbraw/zinc/90/29/92/1066902992.db2.gz XHVNUZOKQWBZIU-NHTMILBNSA-N 0 3 459.675 4.933 20 0 JJADHN COc1ccc([C@H](NC(C)C)C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC001457738013 1066907824 /nfs/dbraw/zinc/90/78/24/1066907824.db2.gz FRUZHXVMQLHFFX-SFHVURJKSA-N 0 3 459.306 4.832 20 0 JJADHN Cc1cc(NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC001457744656 1066909351 /nfs/dbraw/zinc/90/93/51/1066909351.db2.gz NNZBPIHBNHYHAN-UHFFFAOYSA-N 0 3 455.509 4.765 20 0 JJADHN C[C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC001448354172 1066919176 /nfs/dbraw/zinc/91/91/76/1066919176.db2.gz MYBQLPMNOBTECY-SFHVURJKSA-N 0 3 457.412 4.513 20 0 JJADHN Cc1cc(C)n(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001492760801 1066933031 /nfs/dbraw/zinc/93/30/31/1066933031.db2.gz SGQZTSXXOMPVBS-DEOSSOPVSA-N 0 3 493.700 4.859 20 0 JJADHN CC1(C)CCCN(CCNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)C1 ZINC001448512250 1066935110 /nfs/dbraw/zinc/93/51/10/1066935110.db2.gz ZMAUHABCYMLFHW-UHFFFAOYSA-N 0 3 458.400 4.553 20 0 JJADHN CC1(C)CCCN(CCNC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001448511551 1066935015 /nfs/dbraw/zinc/93/50/15/1066935015.db2.gz WOJQJCKDUSPNAI-UHFFFAOYSA-N 0 3 458.400 4.553 20 0 JJADHN CCOc1ccc(SCC(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001458092233 1066972359 /nfs/dbraw/zinc/97/23/59/1066972359.db2.gz GRBPNBSZSUHUJT-NRFANRHFSA-N 0 3 450.608 4.768 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C(F)(F)F ZINC001458093047 1066972675 /nfs/dbraw/zinc/97/26/75/1066972675.db2.gz INVRFIMIFMIPHU-IBGZPJMESA-N 0 3 458.484 4.675 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545724016 1066980088 /nfs/dbraw/zinc/98/00/88/1066980088.db2.gz KNTUJINXAKWQAZ-NNWRFLSQSA-N 0 3 453.656 4.657 20 0 JJADHN COc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)c(OC(F)F)c1 ZINC001458122376 1066981922 /nfs/dbraw/zinc/98/19/22/1066981922.db2.gz BKVIPHDPVGHHNH-SFHVURJKSA-N 0 3 456.493 4.501 20 0 JJADHN CC(C)(C)c1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nc(C(C)(C)C)n1 ZINC001458134533 1066985085 /nfs/dbraw/zinc/98/50/85/1066985085.db2.gz DBSVERNGCFLIKI-NRFANRHFSA-N 0 3 450.675 4.505 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@]1(O)CCCC1(C)C)c1ccccc1 ZINC001545731387 1066991237 /nfs/dbraw/zinc/99/12/37/1066991237.db2.gz NRRNIGFVHBRNTM-VDEOUVHESA-N 0 3 453.675 4.680 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1csc([C@@H](C)OC)n1)c1ccccc1 ZINC001545731948 1066992501 /nfs/dbraw/zinc/99/25/01/1066992501.db2.gz VOQOHMGISFNWMM-DZCCDHAISA-N 0 3 482.698 4.951 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740762 1067005827 /nfs/dbraw/zinc/00/58/27/1067005827.db2.gz CWHQIHYUVDKIHK-JWQCQUIFSA-N 0 3 466.718 4.861 20 0 JJADHN CC[C@H](c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545743375 1067009435 /nfs/dbraw/zinc/00/94/35/1067009435.db2.gz IVHYBVXQBOSOHJ-SANMLTNESA-N 0 3 496.744 4.632 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545746906 1067015607 /nfs/dbraw/zinc/01/56/07/1067015607.db2.gz WZWRWGUALZRTAL-JRFVFWCSSA-N 0 3 494.709 4.537 20 0 JJADHN O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283240 1067020950 /nfs/dbraw/zinc/02/09/50/1067020950.db2.gz JVBINHKRCJLCQO-NZSAHSFTSA-N 0 3 456.505 4.832 20 0 JJADHN O=C(NC[C@H]1CCCN1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063643 1067046336 /nfs/dbraw/zinc/04/63/36/1067046336.db2.gz HDATZICISKNTOU-LJQANCHMSA-N 0 3 453.435 4.862 20 0 JJADHN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001458387936 1067048428 /nfs/dbraw/zinc/04/84/28/1067048428.db2.gz QHYVGRHGCHZZPN-BUKVSMQUSA-N 0 3 454.920 4.987 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001450113814 1067049642 /nfs/dbraw/zinc/04/96/42/1067049642.db2.gz JMPOEXUHRNUUOP-QFIPXVFZSA-N 0 3 453.030 4.951 20 0 JJADHN CC[C@@H](c1nnc(N2CCSC(CC)(CC)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545765404 1067050192 /nfs/dbraw/zinc/05/01/92/1067050192.db2.gz AQROXLUWWNWIAX-XMMPIXPASA-N 0 3 498.785 4.958 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120290 1067051232 /nfs/dbraw/zinc/05/12/32/1067051232.db2.gz RHBJPDGFILQPCO-RSYZFUPGSA-N 0 3 483.697 4.966 20 0 JJADHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)O[C@H](C)C2 ZINC001450126657 1067051502 /nfs/dbraw/zinc/05/15/02/1067051502.db2.gz JUBOEUXHKYOGGD-LNKMKMDRSA-N 0 3 454.636 4.653 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)N(C)C)cc1 ZINC001450140395 1067053348 /nfs/dbraw/zinc/05/33/48/1067053348.db2.gz YTDBIWMPSAXNEI-HXUWFJFHSA-N 0 3 459.413 4.594 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2ccc(Br)cc2OC(C)C)N(C)C)cc1 ZINC001450141075 1067053450 /nfs/dbraw/zinc/05/34/50/1067053450.db2.gz ZIIKDAPZPGQYBR-IBGZPJMESA-N 0 3 451.430 4.991 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2cc(Br)ccc2OC(F)F)N(C)C)cc1 ZINC001450140087 1067053597 /nfs/dbraw/zinc/05/35/97/1067053597.db2.gz XDPNLLVOVVUYEL-INIZCTEOSA-N 0 3 459.356 4.805 20 0 JJADHN Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)Nc1ccccc1CN(C)C ZINC001450219381 1067060933 /nfs/dbraw/zinc/06/09/33/1067060933.db2.gz ODYKVMOBUHRAMM-UHFFFAOYSA-N 0 3 458.628 4.880 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568333 1067089217 /nfs/dbraw/zinc/08/92/17/1067089217.db2.gz QHKCFHSAAQZKEN-LVXARBLLSA-N 0 3 457.590 4.734 20 0 JJADHN C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596456 1067093139 /nfs/dbraw/zinc/09/31/39/1067093139.db2.gz MQNANJMGBHXRRA-KSSFIOAISA-N 0 3 455.318 4.923 20 0 JJADHN CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545794759 1067093766 /nfs/dbraw/zinc/09/37/66/1067093766.db2.gz NSTHTSQMKZUQEW-UHFFFAOYSA-N 0 3 487.664 4.902 20 0 JJADHN CC(C)[C@H]1C[C@@H](CC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CCO1 ZINC001450698384 1067106187 /nfs/dbraw/zinc/10/61/87/1067106187.db2.gz XVRNRQJFNPMRLV-PGRDOPGGSA-N 0 3 451.449 4.713 20 0 JJADHN CN(C)C[C@@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(F)cc1 ZINC001450704815 1067107476 /nfs/dbraw/zinc/10/74/76/1067107476.db2.gz OCQWRIFYJGAPBT-HSZRJFAPSA-N 0 3 459.521 4.786 20 0 JJADHN Cn1cc(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)c2cc(F)ccc21 ZINC001450704308 1067107500 /nfs/dbraw/zinc/10/75/00/1067107500.db2.gz XFMRLAQHDUFEBM-UHFFFAOYSA-N 0 3 458.375 4.817 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)N(C)C)cc1 ZINC001450781619 1067120146 /nfs/dbraw/zinc/12/01/46/1067120146.db2.gz IJMYPJFKIZAWOP-QHCPKHFHSA-N 0 3 451.590 4.761 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)N(C)C)cc1 ZINC001450786936 1067121147 /nfs/dbraw/zinc/12/11/47/1067121147.db2.gz NWVKBUIUASFJEW-SANMLTNESA-N 0 3 455.606 4.711 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)CCN1Cc1ccccc1 ZINC001450801332 1067122583 /nfs/dbraw/zinc/12/25/83/1067122583.db2.gz SDIBCVDOYWYHJD-QPVYNBJUSA-N 0 3 459.609 4.806 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)F)C1)N1CCOCC1 ZINC001545807961 1067130248 /nfs/dbraw/zinc/13/02/48/1067130248.db2.gz QBWXEGHTARHFBW-FYYLOGMGSA-N 0 3 491.627 4.572 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)N1CCOCC1 ZINC001545808333 1067133621 /nfs/dbraw/zinc/13/36/21/1067133621.db2.gz WUTLCERXAQEPOO-PGRDOPGGSA-N 0 3 478.106 4.677 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCSC[C@@H]1C)N1CCOCC1 ZINC001545808331 1067133649 /nfs/dbraw/zinc/13/36/49/1067133649.db2.gz WUTLCERXAQEPOO-AVRDEDQJSA-N 0 3 478.106 4.677 20 0 JJADHN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(CN(C)C)cc1OC ZINC001451095566 1067146122 /nfs/dbraw/zinc/14/61/22/1067146122.db2.gz RBXVVVFFEFRNLI-UHFFFAOYSA-N 0 3 456.546 4.870 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451109004 1067146725 /nfs/dbraw/zinc/14/67/25/1067146725.db2.gz JKKCJLNGHSROTA-JPYHZWLXSA-N 0 3 481.612 4.700 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001451106516 1067146756 /nfs/dbraw/zinc/14/67/56/1067146756.db2.gz IBGMAERETPNGEM-JPYHZWLXSA-N 0 3 481.612 4.557 20 0 JJADHN Cc1cc(C)cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 ZINC001451299728 1067158688 /nfs/dbraw/zinc/15/86/88/1067158688.db2.gz IWCMYULQOJAWID-UHFFFAOYSA-N 0 3 451.611 4.593 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)on1 ZINC001545823515 1067167534 /nfs/dbraw/zinc/16/75/34/1067167534.db2.gz OWFYDXUOODGOBP-MOPGFXCFSA-N 0 3 496.656 4.821 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)on1 ZINC001545823516 1067167614 /nfs/dbraw/zinc/16/76/14/1067167614.db2.gz OWFYDXUOODGOBP-OALUTQOASA-N 0 3 496.656 4.821 20 0 JJADHN CCC(CC)c1cc(Cn2c(Cc3ccccc3F)nnc2N2CCN(CC(C)C)CC2)on1 ZINC001545825307 1067172083 /nfs/dbraw/zinc/17/20/83/1067172083.db2.gz YXWPSFALHWYAKC-UHFFFAOYSA-N 0 3 468.621 4.726 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001545826142 1067173402 /nfs/dbraw/zinc/17/34/02/1067173402.db2.gz GZRUGUWXSXVEQW-JTSKRJEESA-N 0 3 490.643 4.793 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545826743 1067175681 /nfs/dbraw/zinc/17/56/81/1067175681.db2.gz SNHABXUFBVSMOF-FGZHOGPDSA-N 0 3 468.690 4.823 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545835376 1067187255 /nfs/dbraw/zinc/18/72/55/1067187255.db2.gz WABQTMGFROUVAF-HXUWFJFHSA-N 0 3 480.657 4.700 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2C(F)(F)F)n1CCN1CCC(C)CC1 ZINC001545836575 1067190206 /nfs/dbraw/zinc/19/02/06/1067190206.db2.gz ROVQUXHTXQZBPQ-UHFFFAOYSA-N 0 3 494.606 4.584 20 0 JJADHN Cc1cc(OCc2ccccc2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC001458976943 1067215204 /nfs/dbraw/zinc/21/52/04/1067215204.db2.gz XGFVPQYMKOROJG-HSZRJFAPSA-N 0 3 450.604 4.656 20 0 JJADHN CCC(O)(CC)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001546041454 1067239454 /nfs/dbraw/zinc/23/94/54/1067239454.db2.gz CGFJLNSQXLSDHW-UHFFFAOYSA-N 0 3 473.731 4.988 20 0 JJADHN COc1ccc([C@H]2CCCN2C(=O)CS[C@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001459139623 1067259016 /nfs/dbraw/zinc/25/90/16/1067259016.db2.gz BSOBIQMAPKGTGC-LADGPHEKSA-N 0 3 454.636 4.765 20 0 JJADHN CSc1cccc(Nc2ccc(NC(=O)Cc3csc(SCCN(C)C)n3)nc2)c1 ZINC001452988373 1067271152 /nfs/dbraw/zinc/27/11/52/1067271152.db2.gz XHEDIZSIYGSYQH-UHFFFAOYSA-N 0 3 459.666 4.839 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996975 1067272757 /nfs/dbraw/zinc/27/27/57/1067272757.db2.gz YDWVGAZPFCWAFR-GOSISDBHSA-N 0 3 450.385 4.693 20 0 JJADHN O=C(NCc1ccc(F)cc1Br)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001459243813 1067276706 /nfs/dbraw/zinc/27/67/06/1067276706.db2.gz QKROZQDNNAPPAW-IBGZPJMESA-N 0 3 459.281 4.659 20 0 JJADHN CCn1c(SCC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258045 1067278891 /nfs/dbraw/zinc/27/88/91/1067278891.db2.gz WVUUVNFHJDWTDL-IERDGZPVSA-N 0 3 458.031 4.518 20 0 JJADHN CCn1c(SCC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258058 1067278915 /nfs/dbraw/zinc/27/89/15/1067278915.db2.gz WVUUVNFHJDWTDL-KKSFZXQISA-N 0 3 458.031 4.518 20 0 JJADHN CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)(C)C)CC2)O1 ZINC001546048526 1067289311 /nfs/dbraw/zinc/28/93/11/1067289311.db2.gz NIOBOOLCQYXUEQ-NLFFAJNJSA-N 0 3 477.600 4.815 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC001459320242 1067294152 /nfs/dbraw/zinc/29/41/52/1067294152.db2.gz ARCTZVFQTNXLGV-QHCPKHFHSA-N 0 3 452.549 4.526 20 0 JJADHN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(CC2CCCCC2)CC1 ZINC001459379318 1067308215 /nfs/dbraw/zinc/30/82/15/1067308215.db2.gz OXDQJYZRCBHLIF-NRFANRHFSA-N 0 3 452.668 4.899 20 0 JJADHN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(CC2CCCCC2)CC1 ZINC001459379321 1067308369 /nfs/dbraw/zinc/30/83/69/1067308369.db2.gz OXDQJYZRCBHLIF-OAQYLSRUSA-N 0 3 452.668 4.899 20 0 JJADHN COCc1ccccc1CNC(=O)CN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001459392052 1067311640 /nfs/dbraw/zinc/31/16/40/1067311640.db2.gz LBRVZVJNASGKDB-YOSAUDMPSA-N 0 3 452.595 4.505 20 0 JJADHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567340 1067354162 /nfs/dbraw/zinc/35/41/62/1067354162.db2.gz VBIIOGMAPHRXKL-VCOUNFBDSA-N 0 3 459.512 4.869 20 0 JJADHN O=C(NCCN1CCN(CCCCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F ZINC001459630354 1067368758 /nfs/dbraw/zinc/36/87/58/1067368758.db2.gz YASICJZHPUFPPE-UHFFFAOYSA-N 0 3 452.401 4.503 20 0 JJADHN CSc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666067 1067376869 /nfs/dbraw/zinc/37/68/69/1067376869.db2.gz YJMWYATULWASHF-IEBWSBKVSA-N 0 3 459.999 4.731 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001546110967 1067378179 /nfs/dbraw/zinc/37/81/79/1067378179.db2.gz UHRYKJLBJQDVQU-JOCHJYFZSA-N 0 3 452.672 4.953 20 0 JJADHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)C1=O ZINC001459706989 1067389820 /nfs/dbraw/zinc/38/98/20/1067389820.db2.gz HHLXEWQSFHTJOW-UUOWRZLLSA-N 0 3 452.549 4.592 20 0 JJADHN CCCCc1ccc([C@H](NCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C(C)C)cc1 ZINC001459783658 1067420550 /nfs/dbraw/zinc/42/05/50/1067420550.db2.gz FALKWBSLEGBOTM-AJTFRIOCSA-N 0 3 455.687 4.813 20 0 JJADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459810996 1067433339 /nfs/dbraw/zinc/43/33/39/1067433339.db2.gz UFHFXAJYACARCO-OFNKIYASSA-N 0 3 454.014 4.759 20 0 JJADHN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001546112063 1067435994 /nfs/dbraw/zinc/43/59/94/1067435994.db2.gz BJNLEBYQCWEQJS-JOCHJYFZSA-N 0 3 494.709 4.897 20 0 JJADHN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](COc2ccccc2F)C(C)(C)C)c(OC)c1 ZINC001459836721 1067446944 /nfs/dbraw/zinc/44/69/44/1067446944.db2.gz OXXLKGQQSNUOHT-XUZZJYLKSA-N 0 3 458.574 4.590 20 0 JJADHN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1F ZINC001459848891 1067454073 /nfs/dbraw/zinc/45/40/73/1067454073.db2.gz VHMHEUIATYKYNX-MOPGFXCFSA-N 0 3 451.542 4.506 20 0 JJADHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849755 1067455157 /nfs/dbraw/zinc/45/51/57/1067455157.db2.gz YLWYEZBXMXFSOX-LJQANCHMSA-N 0 3 454.567 4.522 20 0 JJADHN C[C@@H](N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc(OCC(F)(F)F)cc1 ZINC001459866765 1067464129 /nfs/dbraw/zinc/46/41/29/1067464129.db2.gz VKBUBRGEZILHSX-XIKOKIGWSA-N 0 3 457.290 4.994 20 0 JJADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@H](C)c1ccc(C)s1 ZINC001459905126 1067482538 /nfs/dbraw/zinc/48/25/38/1067482538.db2.gz JLSWFZQCADGMOV-MRXNPFEDSA-N 0 3 453.564 4.615 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@H](CC)[C@@H]1CCCO1 ZINC001459926990 1067494862 /nfs/dbraw/zinc/49/48/62/1067494862.db2.gz WUJRRVJMGPVCAQ-AEFFLSMTSA-N 0 3 450.988 4.731 20 0 JJADHN O=C(CCN[C@H](CO)c1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459928321 1067495319 /nfs/dbraw/zinc/49/53/19/1067495319.db2.gz BNIMTPGPOJQFCD-JOCHJYFZSA-N 0 3 455.352 4.893 20 0 JJADHN CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955776 1067506456 /nfs/dbraw/zinc/50/64/56/1067506456.db2.gz VGMBASDGXRCQEL-HOCLYGCPSA-N 0 3 452.617 4.638 20 0 JJADHN CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002842 1067522286 /nfs/dbraw/zinc/52/22/86/1067522286.db2.gz FAXCMDQYTMOQHM-JPYJTQIMSA-N 0 3 459.656 4.548 20 0 JJADHN CC(C)c1ccc(CN(C(=O)CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC001460014508 1067527946 /nfs/dbraw/zinc/52/79/46/1067527946.db2.gz FZSVYSWASCKDED-NRFANRHFSA-N 0 3 457.659 4.928 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CCCC1 ZINC001460022848 1067531950 /nfs/dbraw/zinc/53/19/50/1067531950.db2.gz BMGXZESPYOGPSZ-HSZRJFAPSA-N 0 3 458.647 4.679 20 0 JJADHN CC1CCN(C(=O)OC[C@H]2CCCCN2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076145 1067547684 /nfs/dbraw/zinc/54/76/84/1067547684.db2.gz SDORRIUSBWVRKU-GOSISDBHSA-N 0 3 455.521 4.757 20 0 JJADHN CN(CCc1nc(-c2ccccc2)no1)Cc1ccc(I)c(Cl)c1 ZINC001460090053 1067551881 /nfs/dbraw/zinc/55/18/81/1067551881.db2.gz ODPKMHDIQNYFMW-UHFFFAOYSA-N 0 3 453.711 4.669 20 0 JJADHN CCn1c2ccccc2c2cc(NC(=O)CN[C@@H](C)[C@@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093400 1067552745 /nfs/dbraw/zinc/55/27/45/1067552745.db2.gz KLJZXSDMTLSDQR-WMZHIEFXSA-N 0 3 457.574 4.763 20 0 JJADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001460105624 1067556162 /nfs/dbraw/zinc/55/61/62/1067556162.db2.gz LMZVWLIXBWTMNA-QAPCUYQASA-N 0 3 478.998 4.505 20 0 JJADHN COc1cc(NC(=O)CCN(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c(OC)cc1Cl ZINC001460127316 1067560521 /nfs/dbraw/zinc/56/05/21/1067560521.db2.gz QVZXYPDTJIEONO-GFCCVEGCSA-N 0 3 451.354 4.909 20 0 JJADHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC001460126535 1067560613 /nfs/dbraw/zinc/56/06/13/1067560613.db2.gz VDAAZYJTRBRDET-SJORKVTESA-N 0 3 450.988 4.587 20 0 JJADHN Cc1cc(C)c(-c2csc(NC(=O)CN[C@H]3CCN(C)[C@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191805 1067575582 /nfs/dbraw/zinc/57/55/82/1067575582.db2.gz HCINIALVFCNWCH-URXFXBBRSA-N 0 3 452.599 4.848 20 0 JJADHN Cc1ccc(F)cc1NC(=O)CCN1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460208197 1067579549 /nfs/dbraw/zinc/57/95/49/1067579549.db2.gz OMYYROIIAKDWHM-JTHBVZDNSA-N 0 3 473.564 4.985 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)cc1 ZINC001460210379 1067580086 /nfs/dbraw/zinc/58/00/86/1067580086.db2.gz BAPUHUSFAQNZJK-UHFFFAOYSA-N 0 3 451.586 4.767 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3sc(-c4cccs4)nc3C)CC2)cc1 ZINC001460210945 1067580351 /nfs/dbraw/zinc/58/03/51/1067580351.db2.gz FMUIRYACNAFMAF-UHFFFAOYSA-N 0 3 454.621 4.533 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(Cc4cccs4)CCCCC3)CC2)cc1 ZINC001460211698 1067580380 /nfs/dbraw/zinc/58/03/80/1067580380.db2.gz FRYIIAZSIVKZOK-UHFFFAOYSA-N 0 3 453.652 4.980 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccccc3CCc3ccccc3)CC2)cc1 ZINC001460212244 1067580784 /nfs/dbraw/zinc/58/07/84/1067580784.db2.gz HPCNBWHVIHEQGX-UHFFFAOYSA-N 0 3 455.602 4.825 20 0 JJADHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001460230678 1067585007 /nfs/dbraw/zinc/58/50/07/1067585007.db2.gz XETPESCFGBJHLA-BQLVWXCYSA-N 0 3 458.668 4.559 20 0 JJADHN C[C@H](N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460237005 1067587467 /nfs/dbraw/zinc/58/74/67/1067587467.db2.gz SUNVSPSFPUDECK-ZOCIIQOWSA-N 0 3 459.434 4.652 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238953 1067588208 /nfs/dbraw/zinc/58/82/08/1067588208.db2.gz JNSLCIYSSVKORY-NZQKXSOJSA-N 0 3 459.562 4.765 20 0 JJADHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460278118 1067596176 /nfs/dbraw/zinc/59/61/76/1067596176.db2.gz DTYOVSHMUJBPBM-VDKIKQQVSA-N 0 3 469.601 4.799 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccn2)C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC001460305121 1067603244 /nfs/dbraw/zinc/60/32/44/1067603244.db2.gz NJGXNUUYBBOVFO-UXHICEINSA-N 0 3 457.537 4.783 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccc(F)c(Cl)c2)C1 ZINC001460317543 1067606417 /nfs/dbraw/zinc/60/64/17/1067606417.db2.gz LQGMPGSYHFWYAO-MAODMQOUSA-N 0 3 456.986 4.785 20 0 JJADHN COc1cccc(NC(=O)CN(C)C(=O)CN[C@@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001460335293 1067610412 /nfs/dbraw/zinc/61/04/12/1067610412.db2.gz HDTIXSXFGOIQNA-IOAASBHNSA-N 0 3 451.611 4.558 20 0 JJADHN C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1CC(=O)NCCCOC1CCCCC1 ZINC001460367457 1067619501 /nfs/dbraw/zinc/61/95/01/1067619501.db2.gz BELKRTZEWIPPOC-QHCPKHFHSA-N 0 3 456.549 4.838 20 0 JJADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C)C(=O)Nc2ccccc2)cc1F ZINC001460393563 1067625350 /nfs/dbraw/zinc/62/53/50/1067625350.db2.gz QWUQVUCRFOLNQJ-AGHHOFFYSA-N 0 3 471.573 4.544 20 0 JJADHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1scc(Br)c1Br ZINC001460398062 1067626571 /nfs/dbraw/zinc/62/65/71/1067626571.db2.gz AIIQEWGYFPEHRD-LBPRGKRZSA-N 0 3 458.219 4.796 20 0 JJADHN C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)Nc1cccc(F)c1 ZINC001460404803 1067627605 /nfs/dbraw/zinc/62/76/05/1067627605.db2.gz GQSLTDOIIIQFNE-KNXBSLHKSA-N 0 3 459.537 4.675 20 0 JJADHN CN(CC1CCCCC1)C(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001460407128 1067628772 /nfs/dbraw/zinc/62/87/72/1067628772.db2.gz IRZZUDJFRWQIST-DHIUTWEWSA-N 0 3 461.622 4.547 20 0 JJADHN O=C(N1CCC[C@H](C2CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1)C(F)(F)F ZINC001460449867 1067636642 /nfs/dbraw/zinc/63/66/42/1067636642.db2.gz QKCFLNLUGRUXGS-MAUKXSAKSA-N 0 3 453.332 4.540 20 0 JJADHN CC(C)N(C)c1ccc(NC(=O)CCN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1F ZINC001460563055 1067656433 /nfs/dbraw/zinc/65/64/33/1067656433.db2.gz QXDPUOSJJCFPHU-QFIPXVFZSA-N 0 3 454.590 4.815 20 0 JJADHN CN(C)C[C@@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599039 1067666350 /nfs/dbraw/zinc/66/63/50/1067666350.db2.gz WTQULFHYPMIUHB-HNAYVOBHSA-N 0 3 452.209 4.932 20 0 JJADHN CCOC(=O)c1c(NC(=O)CN[C@@H]2CCC[C@]23CCCO3)sc(Cl)c1-c1ccccc1 ZINC001460690628 1067702433 /nfs/dbraw/zinc/70/24/33/1067702433.db2.gz HLAWELIOGPDIFP-MWTRTKDXSA-N 0 3 462.999 4.875 20 0 JJADHN COc1ccccc1C[C@@](C)(CO)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001460696434 1067703870 /nfs/dbraw/zinc/70/38/70/1067703870.db2.gz MRAVDPXLWYJEBP-VWLOTQADSA-N 0 3 454.954 4.663 20 0 JJADHN C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703604 1067705011 /nfs/dbraw/zinc/70/50/11/1067705011.db2.gz CGUAISRLWDXDOQ-HXUWFJFHSA-N 0 3 458.021 4.861 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750284 1067715513 /nfs/dbraw/zinc/71/55/13/1067715513.db2.gz WJVWAUZCAZGDPM-QGZVFWFLSA-N 0 3 452.401 4.826 20 0 JJADHN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CNCC1(C2(O)CCC2)CCC1 ZINC001460748678 1067715519 /nfs/dbraw/zinc/71/55/19/1067715519.db2.gz NTDFMXSGHOATMJ-UHFFFAOYSA-N 0 3 456.608 4.514 20 0 JJADHN O=C(CN1CCCC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920736 1067748388 /nfs/dbraw/zinc/74/83/88/1067748388.db2.gz DPNORINQFDCSNS-RTBURBONSA-N 0 3 455.986 4.669 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@H](C)Cc1cccnc1 ZINC001460934624 1067750748 /nfs/dbraw/zinc/75/07/48/1067750748.db2.gz VPOIHQFQJFZCDT-OAHLLOKOSA-N 0 3 457.983 4.800 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](c3ccco3)N3CCCCC3)o2)C1 ZINC001461011637 1067761897 /nfs/dbraw/zinc/76/18/97/1067761897.db2.gz HRYLBFJXKBZOMS-IRLDBZIGSA-N 0 3 457.615 4.748 20 0 JJADHN CCN(CC)C(=O)c1ccc(CNCc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001461019594 1067763067 /nfs/dbraw/zinc/76/30/67/1067763067.db2.gz PVQLXIYYTUQRLV-UHFFFAOYSA-N 0 3 457.640 4.813 20 0 JJADHN C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCc1cccc(N2CCCC2=O)c1 ZINC001461043963 1067768650 /nfs/dbraw/zinc/76/86/50/1067768650.db2.gz XMYVALPYXIPNON-AWEZNQCLSA-N 0 3 453.892 4.993 20 0 JJADHN CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001546121269 1067775010 /nfs/dbraw/zinc/77/50/10/1067775010.db2.gz QTSFBKWPSNWXEA-NHCUHLMSSA-N 0 3 461.651 4.684 20 0 JJADHN CCC1(CC)CN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001546121268 1067775129 /nfs/dbraw/zinc/77/51/29/1067775129.db2.gz QTSFBKWPSNWXEA-LEWJYISDSA-N 0 3 461.651 4.684 20 0 JJADHN COc1cccc(C(=O)NCCNCc2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)c1 ZINC001461116600 1067784556 /nfs/dbraw/zinc/78/45/56/1067784556.db2.gz XFZZWVOGUBGLMJ-UHFFFAOYSA-N 0 3 458.537 4.515 20 0 JJADHN C[C@@H](NCc1cc(Br)cc(Br)c1N)c1ccc2c(c1)CCC(=O)N2 ZINC001461156275 1067790547 /nfs/dbraw/zinc/79/05/47/1067790547.db2.gz SGAYHAFDBHQOJC-SNVBAGLBSA-N 0 3 453.178 4.529 20 0 JJADHN COc1ncc(Br)cc1CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001461188230 1067795625 /nfs/dbraw/zinc/79/56/25/1067795625.db2.gz ADFJEDJFNVJZIY-UHFFFAOYSA-N 0 3 459.215 4.914 20 0 JJADHN CCOc1c(Cl)cc(CNCCC(=O)Nc2cc(Br)ccc2C)cc1OC ZINC001461205701 1067798905 /nfs/dbraw/zinc/79/89/05/1067798905.db2.gz YPDXEHARBNLUES-UHFFFAOYSA-N 0 3 455.780 4.937 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204563 1067798999 /nfs/dbraw/zinc/79/89/99/1067798999.db2.gz HQSLLXDTGGXLGO-NFBKMPQASA-N 0 3 456.627 4.958 20 0 JJADHN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC001461215035 1067800853 /nfs/dbraw/zinc/80/08/53/1067800853.db2.gz DVIUFCWHCVWSBN-GJZGRUSLSA-N 0 3 457.833 4.937 20 0 JJADHN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H]1CCN(c2ccccc2Br)C1 ZINC001461215394 1067801258 /nfs/dbraw/zinc/80/12/58/1067801258.db2.gz HRSDCXLYTFPOBW-CQSZACIVSA-N 0 3 453.306 4.723 20 0 JJADHN CC(C)(C)OC(=O)NC1CCC(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001461257258 1067811985 /nfs/dbraw/zinc/81/19/85/1067811985.db2.gz XGTKVQSHHBCISE-BBHUYCHWSA-N 0 3 458.624 4.605 20 0 JJADHN COC1(CNCc2cc(I)c(Br)cc2F)CCCCC1 ZINC001461443260 1067857824 /nfs/dbraw/zinc/85/78/24/1067857824.db2.gz WEARWNGGWRVXNB-UHFFFAOYSA-N 0 3 456.137 4.632 20 0 JJADHN Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001461272365 1067815423 /nfs/dbraw/zinc/81/54/23/1067815423.db2.gz MKEATNJPWMTPER-UHSQPCAPSA-N 0 3 455.602 4.637 20 0 JJADHN CC[C@@H](NCc1c(Br)c2ccccc2n1C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461282784 1067817610 /nfs/dbraw/zinc/81/76/10/1067817610.db2.gz VELHNKCZFFMZFQ-OFNKIYASSA-N 0 3 456.428 4.710 20 0 JJADHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)c1 ZINC001461337027 1067832376 /nfs/dbraw/zinc/83/23/76/1067832376.db2.gz VDKKASAVAVNEFP-JOCHJYFZSA-N 0 3 453.627 4.541 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC001461337658 1067832596 /nfs/dbraw/zinc/83/25/96/1067832596.db2.gz WLMMVCNDBQGWNU-UHFFFAOYSA-N 0 3 450.410 4.581 20 0 JJADHN COc1cc(Cl)c(CNC2CCN(Cc3ccc(Br)cc3)CC2)cc1OC ZINC001461342484 1067834194 /nfs/dbraw/zinc/83/41/94/1067834194.db2.gz ATHBCTDZJHNIGS-UHFFFAOYSA-N 0 3 453.808 4.874 20 0 JJADHN CC(=O)N(c1nc(CNC2CCN([C@@H](C)c3ccncc3)CC2)cs1)c1ccc(F)cc1 ZINC001461372723 1067840642 /nfs/dbraw/zinc/84/06/42/1067840642.db2.gz LMBYOYYSQLBUSP-KRWDZBQOSA-N 0 3 453.587 4.677 20 0 JJADHN CCOc1c(Br)cc(Br)cc1CN[C@H](CO)Cc1ccc(C)cc1 ZINC001461435040 1067855764 /nfs/dbraw/zinc/85/57/64/1067855764.db2.gz VMSCUYAUAPASGA-KRWDZBQOSA-N 0 3 457.206 4.612 20 0 JJADHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001461435674 1067856359 /nfs/dbraw/zinc/85/63/59/1067856359.db2.gz KNXQAGYNUYZBQD-WCQYABFASA-N 0 3 455.315 4.954 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001461457704 1067861350 /nfs/dbraw/zinc/86/13/50/1067861350.db2.gz ZXBBHAZMMNXGCG-DEOSSOPVSA-N 0 3 451.014 4.525 20 0 JJADHN C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001461464247 1067863302 /nfs/dbraw/zinc/86/33/02/1067863302.db2.gz PIHIFLJPHQEMMH-DEQJRXDXSA-N 0 3 451.311 4.849 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@H](CNCc2ccc(C3CCCC3)cc2)C(F)(F)F)CC1 ZINC001461467886 1067864580 /nfs/dbraw/zinc/86/45/80/1067864580.db2.gz XEEZSYGJTPDTJI-OAQYLSRUSA-N 0 3 455.565 4.917 20 0 JJADHN C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2ccnc3c(Br)cccc23)C1=O ZINC001461533156 1067883101 /nfs/dbraw/zinc/88/31/01/1067883101.db2.gz ODDIRJVHLPCFFV-YCRPNKLZSA-N 0 3 456.359 4.978 20 0 JJADHN C[C@H](c1ccccc1F)N1CCC[C@H](NCc2ccnc3c(Br)cccc23)C1=O ZINC001461533150 1067883186 /nfs/dbraw/zinc/88/31/86/1067883186.db2.gz ODDIRJVHLPCFFV-VFNWGFHPSA-N 0 3 456.359 4.978 20 0 JJADHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001461607923 1067900767 /nfs/dbraw/zinc/90/07/67/1067900767.db2.gz OJVPWKFCJZCAAB-SLFFLAALSA-N 0 3 452.574 4.699 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632869 1067906060 /nfs/dbraw/zinc/90/60/60/1067906060.db2.gz MPGXXVKPSHWTHH-ROUUACIJSA-N 0 3 456.505 4.738 20 0 JJADHN COc1ccc(CN2CC[C@@H]2CNCc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC001461643014 1067908079 /nfs/dbraw/zinc/90/80/79/1067908079.db2.gz OUFVHFCYAWSPIF-HXUWFJFHSA-N 0 3 459.421 4.919 20 0 JJADHN COCO[C@H](C)c1cc(F)c(CNC[C@]2(C)COc3ccccc3O2)cc1Br ZINC001461663182 1067912875 /nfs/dbraw/zinc/91/28/75/1067912875.db2.gz WJUIUBLVPBYHBB-SPLOXXLWSA-N 0 3 454.336 4.589 20 0 JJADHN COc1cc(CNC[C@H]2CN(Cc3ccc(C)cc3)CCO2)ccc1OCc1cccs1 ZINC001461696079 1067920388 /nfs/dbraw/zinc/92/03/88/1067920388.db2.gz UAPMCAKCDPJUGX-QHCPKHFHSA-N 0 3 452.620 4.635 20 0 JJADHN COCO[C@H](C)c1cc(F)c(CN[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1Br ZINC001461815698 1067941364 /nfs/dbraw/zinc/94/13/64/1067941364.db2.gz YJOIJOVAHWLVCL-MUKKUYKPSA-N 0 3 460.384 4.870 20 0 JJADHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC[C@H]1CCCc1ccccc1 ZINC001461844586 1067945713 /nfs/dbraw/zinc/94/57/13/1067945713.db2.gz JYPFRFYOMVVGLP-XMSQKQJNSA-N 0 3 459.428 4.950 20 0 JJADHN COC1CCC(CN2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)CC1 ZINC001461953706 1067968249 /nfs/dbraw/zinc/96/82/49/1067968249.db2.gz JBTNGSCABIOXPP-ZRZPHAQCSA-N 0 3 452.521 4.639 20 0 JJADHN FC(F)(F)c1ccn([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(Br)cc3)C2)n1 ZINC001462079345 1067997409 /nfs/dbraw/zinc/99/74/09/1067997409.db2.gz FGDVBQHEJSCPDM-MRXNPFEDSA-N 0 3 454.294 4.892 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001462102478 1068003056 /nfs/dbraw/zinc/00/30/56/1068003056.db2.gz BMLBBSKETSQGSG-LOSJGSFVSA-N 0 3 450.529 4.657 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001462113257 1068006744 /nfs/dbraw/zinc/00/67/44/1068006744.db2.gz XVUOTRQUSAMYCQ-RBBKRZOGSA-N 0 3 456.373 4.795 20 0 JJADHN O[C@H](c1ccc(Br)cc1)[C@@H]1CCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC001462293082 1068045487 /nfs/dbraw/zinc/04/54/87/1068045487.db2.gz HODBWIKSXYUPTB-NFBKMPQASA-N 0 3 458.375 4.779 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC001462409584 1068067665 /nfs/dbraw/zinc/06/76/65/1068067665.db2.gz VKDUKHSYTRQZGT-MISYRCLQSA-N 0 3 453.421 4.733 20 0 JJADHN CC(C)[C@H]1CN(Cc2cccc(F)c2I)CCN1Cc1ccccc1 ZINC001462442012 1068075014 /nfs/dbraw/zinc/07/50/14/1068075014.db2.gz ULKFUXAONZKKKD-HXUWFJFHSA-N 0 3 452.355 4.773 20 0 JJADHN CCN(Cc1ccncc1)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462706839 1068137793 /nfs/dbraw/zinc/13/77/93/1068137793.db2.gz IFEPRCBSIDSKFK-LOSJGSFVSA-N 0 3 470.038 4.555 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2cc(Br)c3nccnc3c2)cc1C(F)(F)F ZINC001462732440 1068147091 /nfs/dbraw/zinc/14/70/91/1068147091.db2.gz WQBCUEOQVFDEPB-UHFFFAOYSA-N 0 3 453.262 4.725 20 0 JJADHN CC[C@@H](NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1)c1nc(C)cs1 ZINC001463055342 1068267965 /nfs/dbraw/zinc/26/79/65/1068267965.db2.gz LIFAGZLYCSWFFM-RBZQAINGSA-N 0 3 469.676 4.799 20 0 JJADHN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001463223528 1068325765 /nfs/dbraw/zinc/32/57/65/1068325765.db2.gz COVHZEZZPXTPSL-OAQYLSRUSA-N 0 3 457.398 4.809 20 0 JJADHN CCCCCOc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC001463226640 1068327407 /nfs/dbraw/zinc/32/74/07/1068327407.db2.gz SSNYDHIYTBWPSJ-SANMLTNESA-N 0 3 456.652 4.932 20 0 JJADHN CCS[C@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264514 1068338969 /nfs/dbraw/zinc/33/89/69/1068338969.db2.gz CQOYDBQMJHRYMO-FQUZAXHOSA-N 0 3 458.693 4.557 20 0 JJADHN CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC001463366537 1068374134 /nfs/dbraw/zinc/37/41/34/1068374134.db2.gz SEKHITYDYFAZPY-VWLOTQADSA-N 0 3 456.030 4.811 20 0 JJADHN COc1cccc([C@@H](CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)N2CCCC2)c1 ZINC001463558694 1068441730 /nfs/dbraw/zinc/44/17/30/1068441730.db2.gz BRXCHWZXPWVGKG-HXUWFJFHSA-N 0 3 459.468 4.535 20 0 JJADHN CC(C)(C)c1nc2ccc(S(=O)(=O)NC[C@]3(C)CCN(Cc4ccccc4)C3)cc2s1 ZINC001463639457 1068478228 /nfs/dbraw/zinc/47/82/28/1068478228.db2.gz SCSTVTYHLZBKRK-DEOSSOPVSA-N 0 3 457.665 4.784 20 0 JJADHN O=C([C@@H](F)CN(Cc1ccccc1)Cc1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC001463825473 1068536917 /nfs/dbraw/zinc/53/69/17/1068536917.db2.gz GYHRSHMPRUSLOM-NDEPHWFRSA-N 0 3 459.609 4.761 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C2CCC(F)(F)CC2)cc1 ZINC001463832415 1068540602 /nfs/dbraw/zinc/54/06/02/1068540602.db2.gz SRTOXISOYZEIIZ-BJKOFHAPSA-N 0 3 462.606 4.803 20 0 JJADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001463832912 1068540654 /nfs/dbraw/zinc/54/06/54/1068540654.db2.gz DTSVXMZLPKCBLN-LOSJGSFVSA-N 0 3 450.689 4.534 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1c(C)nn(C)c1Sc1ccccc1)c1cccc(OC)c1 ZINC001463909984 1068562178 /nfs/dbraw/zinc/56/21/78/1068562178.db2.gz BWTDDUIPGWZJGF-QFIPXVFZSA-N 0 3 452.624 4.701 20 0 JJADHN CN(C)CCn1c2cc(C(=O)N[C@H](CCCc3ccccc3)c3ccccc3)ccc2[nH]c1=O ZINC001463915769 1068564855 /nfs/dbraw/zinc/56/48/55/1068564855.db2.gz DWTZBGBHEMTRDB-XMMPIXPASA-N 0 3 456.590 4.798 20 0 JJADHN CCN(CC)[C@H](CNC(=O)Cc1ccccc1NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC001463917485 1068565422 /nfs/dbraw/zinc/56/54/22/1068565422.db2.gz PPKOYYUGQBYIHV-HSZRJFAPSA-N 0 3 455.599 4.784 20 0 JJADHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464075032 1068606333 /nfs/dbraw/zinc/60/63/33/1068606333.db2.gz XZAUTMMWKUNMHY-AWEZNQCLSA-N 0 3 452.780 4.894 20 0 JJADHN CC[C@@H](CNC(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C)N1CCc2ccccc2C1 ZINC001464097590 1068614209 /nfs/dbraw/zinc/61/42/09/1068614209.db2.gz GPKIFTMNMRUQBZ-NRFANRHFSA-N 0 3 456.512 4.971 20 0 JJADHN COc1ccccc1Nc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001464100192 1068615492 /nfs/dbraw/zinc/61/54/92/1068615492.db2.gz UAARRRPSAXCSAQ-SANMLTNESA-N 0 3 458.606 4.547 20 0 JJADHN CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1)N1CCc2ccccc2C1 ZINC001464103075 1068616918 /nfs/dbraw/zinc/61/69/18/1068616918.db2.gz XGKUSUIODUXEIM-RPWUZVMVSA-N 0 3 457.659 4.803 20 0 JJADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1[C@H]2CCCCCC[C@H]12 ZINC001464118432 1068621263 /nfs/dbraw/zinc/62/12/63/1068621263.db2.gz CKVPPLGXUMYRBD-VXKWHMMOSA-N 0 3 451.577 4.940 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)Cc3sc(SC4CCCC4)nc3C)cc2)CC1 ZINC001464124326 1068623679 /nfs/dbraw/zinc/62/36/79/1068623679.db2.gz IIWCCAKSEWKXTD-UHFFFAOYSA-N 0 3 458.697 4.805 20 0 JJADHN Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[C@@H](C)N3CCCCCC3)cc2)cc1 ZINC001464222208 1068663861 /nfs/dbraw/zinc/66/38/61/1068663861.db2.gz GLNFWEBADZPKRD-JOCHJYFZSA-N 0 3 451.611 4.673 20 0 JJADHN C[C@H](C(=O)N(CCc1ccccc1)CCN(C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464299970 1068697773 /nfs/dbraw/zinc/69/77/73/1068697773.db2.gz QPAKBJDQYAUHFJ-XUZZJYLKSA-N 0 3 453.627 4.521 20 0 JJADHN CN(C)CCN(CC1CCCCC1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC001464474725 1068759600 /nfs/dbraw/zinc/75/96/00/1068759600.db2.gz GUNWRUIXZZVWKE-UHFFFAOYSA-N 0 3 455.603 4.719 20 0 JJADHN CCc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cnn1-c1ccc(Br)cc1 ZINC001464536437 1068775194 /nfs/dbraw/zinc/77/51/94/1068775194.db2.gz AXHIOODTOXIKRI-QFIPXVFZSA-N 0 3 455.400 4.538 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)N2CCCC2)cc1 ZINC001464589214 1068792541 /nfs/dbraw/zinc/79/25/41/1068792541.db2.gz UTHBVJYSTXLXTL-QFIPXVFZSA-N 0 3 452.002 4.919 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)N2CCCC2)cc1 ZINC001464597742 1068794906 /nfs/dbraw/zinc/79/49/06/1068794906.db2.gz QFWJYYOQDBUACF-JOCHJYFZSA-N 0 3 456.512 4.826 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)N2CCCC2)cc1 ZINC001464597744 1068794924 /nfs/dbraw/zinc/79/49/24/1068794924.db2.gz QFWJYYOQDBUACF-QFIPXVFZSA-N 0 3 456.512 4.826 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)c21 ZINC001164405584 718847941 /nfs/dbraw/zinc/84/79/41/718847941.db2.gz LVJOSLVHARZBQK-FGZHOGPDSA-N 0 3 499.998 4.813 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164629871 719101692 /nfs/dbraw/zinc/10/16/92/719101692.db2.gz TZAOTUQRXUFJQE-UYAOXDASSA-N 0 3 455.940 4.838 20 0 JJADHN Cc1nc(CN2CCCC23CCN(c2ncnc4c2ccn4Cc2ccccc2)CC3)cs1 ZINC001164694398 719809817 /nfs/dbraw/zinc/80/98/17/719809817.db2.gz WXDKQHRHNYCLGP-UHFFFAOYSA-N 0 3 458.635 4.880 20 0 JJADHN COCc1nn(-c2nc(CN3CCC(C)CC3)nc3scc(-c4cccs4)c32)c2c1CNC2 ZINC001164713774 720078977 /nfs/dbraw/zinc/07/89/77/720078977.db2.gz UDDXQNFSAUFHMN-UHFFFAOYSA-N 0 3 480.663 4.587 20 0 JJADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730892 720408253 /nfs/dbraw/zinc/40/82/53/720408253.db2.gz JNSBFXXWLAAXPI-FGZHOGPDSA-N 0 3 480.971 4.966 20 0 JJADHN COC(=O)c1sc2nc(Cc3ccccc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164730961 720442415 /nfs/dbraw/zinc/44/24/15/720442415.db2.gz KLGSXVRMXCUUMW-VXKWHMMOSA-N 0 3 499.640 4.625 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCCn4cnc(CNC5CCC5)c4C3)c2c1C ZINC001164836767 720739541 /nfs/dbraw/zinc/73/95/41/720739541.db2.gz GBZPNIVGRWDBGS-UHFFFAOYSA-N 0 3 479.698 4.543 20 0 JJADHN COc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)cc1 ZINC001164844956 720740393 /nfs/dbraw/zinc/74/03/93/720740393.db2.gz VUSAKFRXGKCBCP-UHFFFAOYSA-N 0 3 488.970 4.599 20 0 JJADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867814 721068465 /nfs/dbraw/zinc/06/84/65/721068465.db2.gz KMSQFDLJAJNMLR-UIOOFZCWSA-N 0 3 463.585 4.685 20 0 JJADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867812 721069083 /nfs/dbraw/zinc/06/90/83/721069083.db2.gz KMSQFDLJAJNMLR-IZZNHLLZSA-N 0 3 463.585 4.685 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772191 721100952 /nfs/dbraw/zinc/10/09/52/721100952.db2.gz USJGUILZEMCVQF-UXHICEINSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767417 721101787 /nfs/dbraw/zinc/10/17/87/721101787.db2.gz LSCFQPVYOZCCCR-MOPGFXCFSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(Cl)cc5)nc5ccccc54)C[C@@H]3C2)cn1 ZINC001164773812 721127699 /nfs/dbraw/zinc/12/76/99/721127699.db2.gz ZCZNQRYGQWINOS-RTWAWAEBSA-N 0 3 458.997 4.642 20 0 JJADHN Clc1ccc(-c2cc3ncnc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3s2)cc1 ZINC001164878428 721141483 /nfs/dbraw/zinc/14/14/83/721141483.db2.gz QCLLJDPUEDWNMH-NHCUHLMSSA-N 0 3 478.021 4.886 20 0 JJADHN c1ccc(Oc2ccc(-c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164881093 721171788 /nfs/dbraw/zinc/17/17/88/721171788.db2.gz ZAAVGBHCQKQJOO-SHQCIBLASA-N 0 3 479.584 4.811 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164767656 721172176 /nfs/dbraw/zinc/17/21/76/721172176.db2.gz KHMGGSPMTIGESS-RTBURBONSA-N 0 3 465.026 4.704 20 0 JJADHN COc1ccc2c(c1)nc(N1C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164767571 721198583 /nfs/dbraw/zinc/19/85/83/721198583.db2.gz JZUHTFUJIYZFBZ-XZOQPEGZSA-N 0 3 453.590 4.602 20 0 JJADHN COc1ccc2c(c1)nc(N1C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C1)cc2-c1ccccc1 ZINC001164767562 721198888 /nfs/dbraw/zinc/19/88/88/721198888.db2.gz JZUHTFUJIYZFBZ-DHIUTWEWSA-N 0 3 453.590 4.602 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc(-c6ccc(Cl)cc6)sc54)C[C@@H]3C2)cn1 ZINC001164767790 721200358 /nfs/dbraw/zinc/20/03/58/721200358.db2.gz KPFDTKMKWUOGAI-MOPGFXCFSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763262 721217359 /nfs/dbraw/zinc/21/73/59/721217359.db2.gz FBKLSJTUVXMNJQ-FCHUYYIVSA-N 0 3 470.646 4.928 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761325 721217732 /nfs/dbraw/zinc/21/77/32/721217732.db2.gz AMAYJGBDJOTCEO-IZZNHLLZSA-N 0 3 450.590 4.502 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164762571 721227720 /nfs/dbraw/zinc/22/77/20/721227720.db2.gz LFIBMMZJXMRNFL-DNQXCXABSA-N 0 3 466.589 4.628 20 0 JJADHN Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164904974 721710187 /nfs/dbraw/zinc/71/01/87/721710187.db2.gz GDKLWQIDHACTJG-AREMUKBSSA-N 0 3 492.549 4.751 20 0 JJADHN FC1(F)CCN(c2ncnc3[nH]c4ccc(Cl)cc4c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907375 721720457 /nfs/dbraw/zinc/72/04/57/721720457.db2.gz RGSSNWGNEGKOFP-HSZRJFAPSA-N 0 3 468.939 4.897 20 0 JJADHN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)ccc4CN4CCCC4)CC3)C2)cc1 ZINC001164940907 721927463 /nfs/dbraw/zinc/92/74/63/721927463.db2.gz WFSHPAMEXBMBCJ-UHFFFAOYSA-N 0 3 455.046 4.511 20 0 JJADHN c1csc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979110 722107729 /nfs/dbraw/zinc/10/77/29/722107729.db2.gz HBYAMRQMWIUATM-ICSRJNTNSA-N 0 3 463.632 4.542 20 0 JJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977425 722111459 /nfs/dbraw/zinc/11/14/59/722111459.db2.gz NBOCDJWJWYICLB-DENIHFKCSA-N 0 3 458.940 4.555 20 0 JJADHN c1ccc(-c2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164975715 722114433 /nfs/dbraw/zinc/11/44/33/722114433.db2.gz KLRYTBCMXMJADN-RRPNLBNLSA-N 0 3 477.612 4.933 20 0 JJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981179 722126704 /nfs/dbraw/zinc/12/67/04/722126704.db2.gz UCCNWHMXTWSPIS-TZIWHRDSSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984228 722133660 /nfs/dbraw/zinc/13/36/60/722133660.db2.gz WOSZHYHGVHAJTD-GCJKJVERSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1 ZINC001164972598 722138648 /nfs/dbraw/zinc/13/86/48/722138648.db2.gz AEOWXQCTLXMBBC-RPLLCQBOSA-N 0 3 465.601 4.728 20 0 JJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)s1 ZINC001164984255 722146069 /nfs/dbraw/zinc/14/60/69/722146069.db2.gz XATMAUYURSOCBL-QPPBQGQZSA-N 0 3 471.630 4.789 20 0 JJADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164984953 722147509 /nfs/dbraw/zinc/14/75/09/722147509.db2.gz YLOFOTDLRQEFJS-ZCYQVOJMSA-N 0 3 483.641 4.994 20 0 JJADHN CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164977197 722156438 /nfs/dbraw/zinc/15/64/38/722156438.db2.gz YEVPTYQZNMXSAA-ZJSXRUAMSA-N 0 3 480.012 4.607 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972122 722159039 /nfs/dbraw/zinc/15/90/39/722159039.db2.gz FRXVGZYVRVOGBR-XMSQKQJNSA-N 0 3 474.939 4.662 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCN1CCCC(C)(C)C1 ZINC001545857420 1064265996 /nfs/dbraw/zinc/26/59/96/1064265996.db2.gz WDNLXJHDOOFGAS-UHFFFAOYSA-N 0 3 484.689 4.500 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001359720110 1064267341 /nfs/dbraw/zinc/26/73/41/1064267341.db2.gz HYVMUIZBEXYJHB-UHFFFAOYSA-N 0 3 467.580 4.949 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001545868233 1064278544 /nfs/dbraw/zinc/27/85/44/1064278544.db2.gz NLDPCTQTBJKPOE-DEOSSOPVSA-N 0 3 466.674 4.578 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCC(F)(F)CC3)n1C[C@@H]1N(C)CCCC1(C)C ZINC001545884815 1064300972 /nfs/dbraw/zinc/30/09/72/1064300972.db2.gz GDWBGELASIHFNB-FQEVSTJZSA-N 0 3 494.675 4.723 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)C1 ZINC001434880320 1064312285 /nfs/dbraw/zinc/31/22/85/1064312285.db2.gz BBGZRJBPBFTGBJ-GWPNYTADSA-N 0 3 455.643 4.658 20 0 JJADHN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001434917896 1064344895 /nfs/dbraw/zinc/34/48/95/1064344895.db2.gz CIPMCXBHDWWYBZ-IBGZPJMESA-N 0 3 459.059 4.521 20 0 JJADHN CC(C)Oc1cc(Br)ccc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001435062003 1064479783 /nfs/dbraw/zinc/47/97/83/1064479783.db2.gz BOLBNGUATUMWEG-UHFFFAOYSA-N 0 3 455.343 4.719 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC001435062669 1064480688 /nfs/dbraw/zinc/48/06/88/1064480688.db2.gz HACKKJMGDYIOQW-UHFFFAOYSA-N 0 3 456.512 4.584 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001435064848 1064484189 /nfs/dbraw/zinc/48/41/89/1064484189.db2.gz NQCSXTWTPJOVSU-UHFFFAOYSA-N 0 3 458.484 4.837 20 0 JJADHN CC(C)n1ncc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1Br ZINC001435067640 1064488344 /nfs/dbraw/zinc/48/83/44/1064488344.db2.gz LPLHAHOMVZIBHS-UHFFFAOYSA-N 0 3 453.812 4.618 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001435067988 1064489335 /nfs/dbraw/zinc/48/93/35/1064489335.db2.gz ZNBQHQRTIOSZKY-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN O=C(N1CCc2ccc(Br)cc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001435104922 1064515663 /nfs/dbraw/zinc/51/56/63/1064515663.db2.gz FEFIOLHUDGEIFA-FQEVSTJZSA-N 0 3 453.302 4.793 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001359832706 1064516584 /nfs/dbraw/zinc/51/65/84/1064516584.db2.gz NSBZBFGRKBOLTI-RTWAWAEBSA-N 0 3 489.590 4.836 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001435108740 1064518234 /nfs/dbraw/zinc/51/82/34/1064518234.db2.gz OCRIMXJXMVIRIY-MSOLQXFVSA-N 0 3 456.505 4.738 20 0 JJADHN CCCCc1ccc(N2C[C@H](C(=O)N(CCN(C)C)Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001359851218 1064538247 /nfs/dbraw/zinc/53/82/47/1064538247.db2.gz HXYQFRDKGRTHOG-JOCHJYFZSA-N 0 3 456.030 4.626 20 0 JJADHN CC(C)Oc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1Br ZINC001435137027 1064539182 /nfs/dbraw/zinc/53/91/82/1064539182.db2.gz JURFSYRVPATBEV-UHFFFAOYSA-N 0 3 455.462 4.718 20 0 JJADHN CCOc1nc(C(F)(F)F)ccc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001359859058 1064546557 /nfs/dbraw/zinc/54/65/57/1064546557.db2.gz UYNDLMHWMNOUBW-UHFFFAOYSA-N 0 3 455.908 4.891 20 0 JJADHN CSCc1nc2ccccc2n1CC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC001435148944 1064549330 /nfs/dbraw/zinc/54/93/30/1064549330.db2.gz OCUZYYDJGNNDKO-UHFFFAOYSA-N 0 3 454.665 4.749 20 0 JJADHN CSc1cccc(N(C(=O)c2sc(N3CCCC3)nc2Cl)C2CCN(C)CC2)c1 ZINC001435149827 1064549709 /nfs/dbraw/zinc/54/97/09/1064549709.db2.gz RSALQCSFZWWMPB-UHFFFAOYSA-N 0 3 451.061 4.860 20 0 JJADHN CCOc1nc(C(F)(F)F)ccc1C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC001435151201 1064551172 /nfs/dbraw/zinc/55/11/72/1064551172.db2.gz ZSVXARLHITXPBT-UHFFFAOYSA-N 0 3 453.530 4.962 20 0 JJADHN C[C@@H](CNC(=O)c1cccnc1Oc1ccc(Br)cc1)N(C)Cc1ccccc1 ZINC001435166804 1064562140 /nfs/dbraw/zinc/56/21/40/1064562140.db2.gz SBKZNVCGPAQASG-KRWDZBQOSA-N 0 3 454.368 4.887 20 0 JJADHN CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1 ZINC001435190171 1064579440 /nfs/dbraw/zinc/57/94/40/1064579440.db2.gz VFRREDGJUWKXQP-VWLOTQADSA-N 0 3 450.627 4.732 20 0 JJADHN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC001435205983 1064591310 /nfs/dbraw/zinc/59/13/10/1064591310.db2.gz GJGIVOXQAKLFMF-IBGZPJMESA-N 0 3 456.512 4.936 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001435208517 1064593192 /nfs/dbraw/zinc/59/31/92/1064593192.db2.gz WATBLKXJRJBSRH-HSZRJFAPSA-N 0 3 458.650 4.912 20 0 JJADHN CC(C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001359902668 1064614566 /nfs/dbraw/zinc/61/45/66/1064614566.db2.gz RJKABYWCZZYNOC-UHFFFAOYSA-N 0 3 482.492 4.506 20 0 JJADHN CC(C)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001359964328 1064738427 /nfs/dbraw/zinc/73/84/27/1064738427.db2.gz RXNLEFPTRUUYMU-UHFFFAOYSA-N 0 3 497.728 4.854 20 0 JJADHN COc1ccc(Br)cc1-c1nc(C(=O)N(CCN(C)C)C2CCCC2)cs1 ZINC001435416037 1064746494 /nfs/dbraw/zinc/74/64/94/1064746494.db2.gz NJCGANGEWALXTL-UHFFFAOYSA-N 0 3 452.418 4.528 20 0 JJADHN CN(C)CCN(Cc1cccs1)C(=O)c1scc(Br)c1Br ZINC001435423950 1064750462 /nfs/dbraw/zinc/75/04/62/1064750462.db2.gz WJGZXQACZLXCRU-UHFFFAOYSA-N 0 3 452.237 4.539 20 0 JJADHN CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001359982390 1064757639 /nfs/dbraw/zinc/75/76/39/1064757639.db2.gz BSIGTCMOPSSHSD-AGILITTLSA-N 0 3 453.675 4.736 20 0 JJADHN CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCc2ccccc2C1)C(C)C ZINC001359993107 1064776114 /nfs/dbraw/zinc/77/61/14/1064776114.db2.gz NRMKLHIRXSHJGE-NRFANRHFSA-N 0 3 494.709 4.587 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)NCC(C)(C)c3cccc(Br)c3)cc2)CC1 ZINC001360005003 1064791724 /nfs/dbraw/zinc/79/17/24/1064791724.db2.gz XFYMHYXPJXOEQA-UHFFFAOYSA-N 0 3 458.444 4.687 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360014981 1064813940 /nfs/dbraw/zinc/81/39/40/1064813940.db2.gz LNZBFQWSGZZGON-IDISGSTGSA-N 0 3 487.664 4.667 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(C)CCC2)CC1 ZINC001360017109 1064816218 /nfs/dbraw/zinc/81/62/18/1064816218.db2.gz AFRMFGCCHKYEHB-UHFFFAOYSA-N 0 3 464.427 4.815 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(C)(F)F)CC1 ZINC001360017577 1064818751 /nfs/dbraw/zinc/81/87/51/1064818751.db2.gz GLCUHZAXBKPNAN-UHFFFAOYSA-N 0 3 474.369 4.670 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccccc1Br ZINC001360028695 1064829951 /nfs/dbraw/zinc/82/99/51/1064829951.db2.gz QPXBIWSFMRLKOJ-UHFFFAOYSA-N 0 3 457.334 4.991 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC001360032112 1064834353 /nfs/dbraw/zinc/83/43/53/1064834353.db2.gz IRSYGALPJCICOF-UHFFFAOYSA-N 0 3 453.320 4.661 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2CCc2csc(C(C)C)n2)CC1 ZINC001360033888 1064836880 /nfs/dbraw/zinc/83/68/80/1064836880.db2.gz MQYGLSSWHVQCAJ-UHFFFAOYSA-N 0 3 486.661 4.597 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001360034380 1064838009 /nfs/dbraw/zinc/83/80/09/1064838009.db2.gz UMRJUWCGUWCGEQ-QHCPKHFHSA-N 0 3 480.632 4.609 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cccc(Cl)c2)CC1 ZINC001360034304 1064838208 /nfs/dbraw/zinc/83/82/08/1064838208.db2.gz SJQFOCFGNJUPMT-FGZHOGPDSA-N 0 3 460.066 4.676 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001360034850 1064839031 /nfs/dbraw/zinc/83/90/31/1064839031.db2.gz YFQUOOGOINMSDW-UXHICEINSA-N 0 3 469.527 4.529 20 0 JJADHN CCCO[C@@H](C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1C ZINC001435616623 1064878972 /nfs/dbraw/zinc/87/89/72/1064878972.db2.gz FRLWMHGSOMUIEN-RCZVLFRGSA-N 0 3 450.558 4.884 20 0 JJADHN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)C1 ZINC001360057905 1064892393 /nfs/dbraw/zinc/89/23/93/1064892393.db2.gz NRBYOWYTAWRIHQ-DEOSSOPVSA-N 0 3 451.659 4.756 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CC=CCC2)C1 ZINC001360057906 1064892490 /nfs/dbraw/zinc/89/24/90/1064892490.db2.gz NRBYOWYTAWRIHQ-XMMPIXPASA-N 0 3 451.659 4.756 20 0 JJADHN CC(C)COCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360066598 1064909579 /nfs/dbraw/zinc/90/95/79/1064909579.db2.gz LBEJLKGCVVMYJP-HXUWFJFHSA-N 0 3 461.626 4.540 20 0 JJADHN CC(C)CSCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001360076952 1064928308 /nfs/dbraw/zinc/92/83/08/1064928308.db2.gz WWZATABGSOJORD-UHFFFAOYSA-N 0 3 492.133 4.926 20 0 JJADHN CC(C)CSCCCn1c(COc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360079304 1064933983 /nfs/dbraw/zinc/93/39/83/1064933983.db2.gz GXXCUKZSNJFZDL-UHFFFAOYSA-N 0 3 463.667 4.696 20 0 JJADHN CCCN(C(=O)c1nc(Br)c2ccccn21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001360128665 1065023146 /nfs/dbraw/zinc/02/31/46/1065023146.db2.gz CEOZYSKTORWFOR-LJQANCHMSA-N 0 3 455.400 4.614 20 0 JJADHN CCCN(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001360129231 1065024780 /nfs/dbraw/zinc/02/47/80/1065024780.db2.gz HLZOOPDHTWCAOW-GOSISDBHSA-N 0 3 459.384 4.695 20 0 JJADHN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC001435855804 1065027204 /nfs/dbraw/zinc/02/72/04/1065027204.db2.gz PHXICKXWGYHDMV-NRYAXDJKSA-N 0 3 458.549 4.817 20 0 JJADHN O=C(NCCc1ccc(Br)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001360134090 1065030073 /nfs/dbraw/zinc/03/00/73/1065030073.db2.gz JGWDLYFXOURWGC-HXUWFJFHSA-N 0 3 455.318 4.562 20 0 JJADHN CSc1cccc(N(C(=O)c2cnn3cccc(Br)c23)C2CCN(C)CC2)c1 ZINC001360191825 1065075885 /nfs/dbraw/zinc/07/58/85/1065075885.db2.gz JVOZBTFPGGOYHT-UHFFFAOYSA-N 0 3 459.413 4.560 20 0 JJADHN CSc1cccc(N(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C2CCN(C)CC2)c1 ZINC001360192834 1065076419 /nfs/dbraw/zinc/07/64/19/1065076419.db2.gz ZIYFZUYKGFTMNR-UHFFFAOYSA-N 0 3 458.027 4.930 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001545894477 1065081629 /nfs/dbraw/zinc/08/16/29/1065081629.db2.gz XIOCGDCHJUILEV-VWNXMTODSA-N 0 3 468.690 4.680 20 0 JJADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969070 1065086225 /nfs/dbraw/zinc/08/62/25/1065086225.db2.gz WLZAHTVDUQSKOK-SFHVURJKSA-N 0 3 455.599 4.620 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC001435995437 1065098672 /nfs/dbraw/zinc/09/86/72/1065098672.db2.gz RNYDSNQVOUMXBR-RUZDIDTESA-N 0 3 456.590 4.800 20 0 JJADHN C[C@H](CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)N(C)Cc1ccccc1 ZINC001360281902 1065122848 /nfs/dbraw/zinc/12/28/48/1065122848.db2.gz MTOQVVSBRLUCEK-HXUWFJFHSA-N 0 3 455.558 4.864 20 0 JJADHN C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1nc(C(F)(F)F)cs1 ZINC001436056773 1065149367 /nfs/dbraw/zinc/14/93/67/1065149367.db2.gz SSJVUGDFWVUBAJ-SJCJKPOMSA-N 0 3 451.436 4.794 20 0 JJADHN CCc1c(NC(=O)CCCN2CCN(c3ccccc3)CC2)cnn1-c1ccccc1Cl ZINC001436137080 1065208143 /nfs/dbraw/zinc/20/81/43/1065208143.db2.gz WVGBKCSOLQFQDS-UHFFFAOYSA-N 0 3 452.002 4.629 20 0 JJADHN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001436205739 1065250622 /nfs/dbraw/zinc/25/06/22/1065250622.db2.gz OJAJWVCGYIQWHX-INIZCTEOSA-N 0 3 457.397 4.818 20 0 JJADHN C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001360387223 1065252262 /nfs/dbraw/zinc/25/22/62/1065252262.db2.gz DATARZNEMVHLCK-UZOYXQLSSA-N 0 3 459.512 4.914 20 0 JJADHN CSc1cccc(N(C(=O)c2nc(Br)c3ccccn32)C2CCN(C)CC2)c1 ZINC001360408133 1065270859 /nfs/dbraw/zinc/27/08/59/1065270859.db2.gz HVZVXYGWWOJLSK-UHFFFAOYSA-N 0 3 459.413 4.560 20 0 JJADHN CSc1cccc(N(C(=O)CCCNC(=O)OCc2ccccc2)C2CCN(C)CC2)c1 ZINC001360408129 1065271065 /nfs/dbraw/zinc/27/10/65/1065271065.db2.gz HSKRUPOYSNPKIT-UHFFFAOYSA-N 0 3 455.624 4.542 20 0 JJADHN CSc1cccc(N(C(=O)CCOc2ccc(CCC(C)=O)cc2)C2CCN(C)CC2)c1 ZINC001360408773 1065272101 /nfs/dbraw/zinc/27/21/01/1065272101.db2.gz SPCPJRQGRHELMY-UHFFFAOYSA-N 0 3 454.636 4.826 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCCCOc2ccc(Br)cc2)C1 ZINC001436279435 1065285284 /nfs/dbraw/zinc/28/52/84/1065285284.db2.gz MBCNRNBSORHJRH-HXUWFJFHSA-N 0 3 459.428 4.979 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(Sc4ccccc4)CCCC3)CC2)cc1 ZINC001436317219 1065295716 /nfs/dbraw/zinc/29/57/16/1065295716.db2.gz RFILXJWMARUXRI-UHFFFAOYSA-N 0 3 451.636 4.831 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)C3(c4cccc(Cl)c4)CC(C)C3)CC2)cc1 ZINC001436351388 1065301551 /nfs/dbraw/zinc/30/15/51/1065301551.db2.gz DDLTWUNXKSJUHG-UHFFFAOYSA-N 0 3 454.014 4.747 20 0 JJADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)N(C)C ZINC001360440846 1065324930 /nfs/dbraw/zinc/32/49/30/1065324930.db2.gz YLNJGEXMGYBOPB-WKLFCCHUSA-N 0 3 496.706 4.583 20 0 JJADHN C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001360454219 1065350766 /nfs/dbraw/zinc/35/07/66/1065350766.db2.gz FUAVZSMVQMVHOV-CVDCTZTESA-N 0 3 499.681 4.650 20 0 JJADHN Cc1nn(-c2ccc(C(=O)N[C@H](C)CN(C)Cc3ccccc3)cc2)c(C)c1Br ZINC001436567795 1065369203 /nfs/dbraw/zinc/36/92/03/1065369203.db2.gz RTJWVZGVHUHMNM-MRXNPFEDSA-N 0 3 455.400 4.502 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001360465658 1065374597 /nfs/dbraw/zinc/37/45/97/1065374597.db2.gz XUJWEOANZWCDEM-OAQYLSRUSA-N 0 3 455.643 4.537 20 0 JJADHN Cc1cccc(C)c1OCCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605209 1065395865 /nfs/dbraw/zinc/39/58/65/1065395865.db2.gz MSAGBZDRWKHPKP-UHFFFAOYSA-N 0 3 456.030 4.539 20 0 JJADHN C[C@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)N(C)C)c1nccs1 ZINC001360526419 1065505019 /nfs/dbraw/zinc/50/50/19/1065505019.db2.gz LGSWIFIEYZNVHA-WIYYLYMNSA-N 0 3 466.680 4.930 20 0 JJADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001437773685 1065603827 /nfs/dbraw/zinc/60/38/27/1065603827.db2.gz ZXJOPYMFTQTKAB-HNNXBMFYSA-N 0 3 454.423 4.832 20 0 JJADHN O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)c1cnnn1-c1cc(Cl)ccc1Cl ZINC001438357707 1065715864 /nfs/dbraw/zinc/71/58/64/1065715864.db2.gz KFSRDUCQRAPTGT-LJQANCHMSA-N 0 3 458.393 4.749 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4NC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC001438406073 1065720577 /nfs/dbraw/zinc/72/05/77/1065720577.db2.gz RKNIAWAEFKATCT-LOSJGSFVSA-N 0 3 478.637 4.850 20 0 JJADHN C/C(=C/C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)c1ccccc1C(F)(F)F ZINC001360657821 1065726939 /nfs/dbraw/zinc/72/69/39/1065726939.db2.gz CZMNGTRLVKRFTQ-HQSFBDMMSA-N 0 3 459.512 4.914 20 0 JJADHN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001360658758 1065728679 /nfs/dbraw/zinc/72/86/79/1065728679.db2.gz PEHVVUGLJLIJSY-JTHBVZDNSA-N 0 3 458.002 4.548 20 0 JJADHN O=C(COc1ccc(Br)cc1Cl)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001438568160 1065732301 /nfs/dbraw/zinc/73/23/01/1065732301.db2.gz XVCZWKIUGQXQDA-GOSISDBHSA-N 0 3 451.792 4.652 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001438576503 1065733566 /nfs/dbraw/zinc/73/35/66/1065733566.db2.gz ZIIIMEUQBPKUCO-XZOQPEGZSA-N 0 3 455.643 4.585 20 0 JJADHN CO[C@H](C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Br)s1 ZINC001438987729 1065774410 /nfs/dbraw/zinc/77/44/10/1065774410.db2.gz UVEOJGCDRQMIMI-PXNSSMCTSA-N 0 3 451.430 4.711 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747623 1065789032 /nfs/dbraw/zinc/78/90/32/1065789032.db2.gz LINCCAFYGICNQI-FYYLOGMGSA-N 0 3 455.643 4.537 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748275 1065789636 /nfs/dbraw/zinc/78/96/36/1065789636.db2.gz UZJHNFZHXXEWJU-XMMPIXPASA-N 0 3 458.602 4.810 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCSC1 ZINC001360748970 1065790933 /nfs/dbraw/zinc/79/09/33/1065790933.db2.gz JFHNNSOMFNJKEX-UXHICEINSA-N 0 3 475.678 4.869 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001360749063 1065791500 /nfs/dbraw/zinc/79/15/00/1065791500.db2.gz KZNFCKFEBZSCTN-GHTZIAJQSA-N 0 3 495.590 4.540 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001360760051 1065830667 /nfs/dbraw/zinc/83/06/67/1065830667.db2.gz GSCAGAQDSLLUIO-QKNQBKEWSA-N 0 3 476.065 4.543 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)CCc2cccs2)n1CCN1CCCCC1 ZINC001360766886 1065854595 /nfs/dbraw/zinc/85/45/95/1065854595.db2.gz FQYXBSLKQHUPHZ-IBGZPJMESA-N 0 3 457.619 4.784 20 0 JJADHN COc1cccc([C@@H](CNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]c2=O)N2CCCC2)c1 ZINC001440382969 1065935680 /nfs/dbraw/zinc/93/56/80/1065935680.db2.gz VAAUEMAVTGOXDO-HSZRJFAPSA-N 0 3 451.954 4.683 20 0 JJADHN CC1=C(Br)CN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001360850845 1065962510 /nfs/dbraw/zinc/96/25/10/1065962510.db2.gz RPPKKIZIFHKWHS-LJQANCHMSA-N 0 3 450.400 4.723 20 0 JJADHN CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccccc2)CC1 ZINC001360853166 1065968497 /nfs/dbraw/zinc/96/84/97/1065968497.db2.gz FSNABIUNFYDYSR-NRFANRHFSA-N 0 3 474.447 4.531 20 0 JJADHN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccccc2)CC1 ZINC001360853167 1065968554 /nfs/dbraw/zinc/96/85/54/1065968554.db2.gz FSNABIUNFYDYSR-OAQYLSRUSA-N 0 3 474.447 4.531 20 0 JJADHN Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001440709489 1065969147 /nfs/dbraw/zinc/96/91/47/1065969147.db2.gz XCBGDVUYFLJYCJ-IBGZPJMESA-N 0 3 455.484 4.552 20 0 JJADHN CC1=C(Br)CN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001360853532 1065969770 /nfs/dbraw/zinc/96/97/70/1065969770.db2.gz GCBAEQSREIZHSY-FQEVSTJZSA-N 0 3 464.427 4.798 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)c1cccc(OC)c1 ZINC001440872640 1065986828 /nfs/dbraw/zinc/98/68/28/1065986828.db2.gz CYUPVKAVDSAOOD-DEOSSOPVSA-N 0 3 452.574 4.956 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1c(C)nc(-c2ccco2)nc1SC)c1cccc(OC)c1 ZINC001440872630 1065987035 /nfs/dbraw/zinc/98/70/35/1065987035.db2.gz CYNKGLYODOXOBX-LJQANCHMSA-N 0 3 454.596 4.588 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876355 1065987793 /nfs/dbraw/zinc/98/77/93/1065987793.db2.gz JVNRLIIVVSOHHS-AKFKNWHVSA-N 0 3 459.428 4.935 20 0 JJADHN C[C@@H](CN1CCCCC1)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001441181982 1066012097 /nfs/dbraw/zinc/01/20/97/1066012097.db2.gz YAEZMQKBAGVOCN-KRWDZBQOSA-N 0 3 458.628 4.685 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001441201534 1066015131 /nfs/dbraw/zinc/01/51/31/1066015131.db2.gz WYPIBEUYZYXXPL-UHFFFAOYSA-N 0 3 451.014 4.728 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CC[C@@H](F)C2)c1C ZINC001360876869 1066021323 /nfs/dbraw/zinc/02/13/23/1066021323.db2.gz CFHCHHGAFWCOKZ-DNVJHFABSA-N 0 3 457.638 4.951 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCCCCO)c1C ZINC001360878264 1066025474 /nfs/dbraw/zinc/02/54/74/1066025474.db2.gz STNGJIHCCUTDIT-QFIPXVFZSA-N 0 3 457.663 4.508 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C)c1ccsc1 ZINC001441322964 1066027953 /nfs/dbraw/zinc/02/79/53/1066027953.db2.gz YKTCRXXDPIHETD-JOCHJYFZSA-N 0 3 459.656 4.970 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc(O[C@H](C)c4ccccc4)cc3)cc2)CC1 ZINC001441362699 1066034538 /nfs/dbraw/zinc/03/45/38/1066034538.db2.gz CKRWTVAQMOKHPV-HSZRJFAPSA-N 0 3 457.618 4.894 20 0 JJADHN Cc1nc(CCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)(C)C)CC2)sc1C ZINC001360895921 1066049277 /nfs/dbraw/zinc/04/92/77/1066049277.db2.gz PGXIMRQKJIJPQL-UHFFFAOYSA-N 0 3 459.063 4.835 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001545942854 1066052007 /nfs/dbraw/zinc/05/20/07/1066052007.db2.gz JMEDTMKKMMLKKB-LXHIVTORSA-N 0 3 466.674 4.577 20 0 JJADHN Cc1nc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)sc1C ZINC001360901543 1066055031 /nfs/dbraw/zinc/05/50/31/1066055031.db2.gz UKOZAFCLKNMIEI-QGZVFWFLSA-N 0 3 472.634 4.599 20 0 JJADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)c2)CC1 ZINC001441656389 1066058095 /nfs/dbraw/zinc/05/80/95/1066058095.db2.gz FDYGSJSQWVEPLU-UHFFFAOYSA-N 0 3 454.014 4.779 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1OCC ZINC001442284130 1066111302 /nfs/dbraw/zinc/11/13/02/1066111302.db2.gz ALINOZDXIUJNSP-WOJBJXKFSA-N 0 3 452.595 4.565 20 0 JJADHN Cc1c(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCN(CC(C)C)CC2)cnn1CC(C)C ZINC001360956794 1066112797 /nfs/dbraw/zinc/11/27/97/1066112797.db2.gz QKUQZJCDOLHHCO-JOCHJYFZSA-N 0 3 497.663 4.544 20 0 JJADHN CCc1ccccc1-n1cc(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N(CC)CC)nn1 ZINC001442302131 1066113944 /nfs/dbraw/zinc/11/39/44/1066113944.db2.gz AUKHVERQDNFEGZ-JOCHJYFZSA-N 0 3 459.516 4.661 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)SCC(=O)N2)c1ccc(C(F)(F)F)cc1 ZINC001442307079 1066115333 /nfs/dbraw/zinc/11/53/33/1066115333.db2.gz OHGVYPBLHCUPQO-SFHVURJKSA-N 0 3 451.514 4.563 20 0 JJADHN C[C@H](CC(=O)N(CCCc1ccccc1)CCN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442342344 1066118197 /nfs/dbraw/zinc/11/81/97/1066118197.db2.gz KCHMQFAWWBIMDA-JOCHJYFZSA-N 0 3 459.675 4.683 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)N(C)C)cc1 ZINC001442478215 1066130843 /nfs/dbraw/zinc/13/08/43/1066130843.db2.gz VIAOEETWQMURPS-OAQYLSRUSA-N 0 3 454.368 4.978 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)cc1 ZINC001442591443 1066141311 /nfs/dbraw/zinc/14/13/11/1066141311.db2.gz KFGOHTNEMZIZKP-XUZZJYLKSA-N 0 3 457.659 4.921 20 0 JJADHN CCOC(=O)N1[C@H](C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[C@H]1c1ccc(C)o1 ZINC001442592619 1066141723 /nfs/dbraw/zinc/14/17/23/1066141723.db2.gz MQVYKBOXGBBTEH-RJGXRXQPSA-N 0 3 453.583 4.512 20 0 JJADHN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001442719318 1066155321 /nfs/dbraw/zinc/15/53/21/1066155321.db2.gz IPJUNNNBQZULNP-KRWDZBQOSA-N 0 3 459.553 4.631 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442720776 1066155351 /nfs/dbraw/zinc/15/53/51/1066155351.db2.gz KACMHDDWGUCVRF-HSZRJFAPSA-N 0 3 457.590 4.762 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001360992225 1066171289 /nfs/dbraw/zinc/17/12/89/1066171289.db2.gz LEXHDJOPPWEIFZ-FQEVSTJZSA-N 0 3 488.076 4.956 20 0 JJADHN CN1CCC[C@@H](CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)[C@H]1c1cccs1 ZINC001360996852 1066175365 /nfs/dbraw/zinc/17/53/65/1066175365.db2.gz VDEKASGRTOSNGT-YWZLYKJASA-N 0 3 459.413 4.509 20 0 JJADHN CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545952031 1066224841 /nfs/dbraw/zinc/22/48/41/1066224841.db2.gz GWTLYTLTOCXLDU-VUPIPYFASA-N 0 3 473.637 4.683 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3ccc(N4CCCCCC4)cc3)C2)ccn1 ZINC001454018304 1066235865 /nfs/dbraw/zinc/23/58/65/1066235865.db2.gz VJVTZPKDFAQUDJ-SANMLTNESA-N 0 3 450.627 4.596 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)CC1 ZINC001454118172 1066247797 /nfs/dbraw/zinc/24/77/97/1066247797.db2.gz LUCBMSCUORGYKA-SZPZYZBQSA-N 0 3 457.659 4.972 20 0 JJADHN CCN(Cc1ccoc1)C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001443000303 1066251269 /nfs/dbraw/zinc/25/12/69/1066251269.db2.gz YQFHJLUUGZFUAL-UHFFFAOYSA-N 0 3 455.599 4.578 20 0 JJADHN CN(C)CCn1nccc1C(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc32)c(F)c1 ZINC001443012332 1066252819 /nfs/dbraw/zinc/25/28/19/1066252819.db2.gz DZSPXBIBVIRFDW-UHFFFAOYSA-N 0 3 453.905 4.830 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC2CCOCC2)c1 ZINC001361035389 1066253755 /nfs/dbraw/zinc/25/37/55/1066253755.db2.gz WKXQOECXOZSFQA-UHFFFAOYSA-N 0 3 469.674 4.601 20 0 JJADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](F)CN(Cc3ccccc3)Cc3ccccc3)C2)c1 ZINC001454308016 1066267878 /nfs/dbraw/zinc/26/78/78/1066267878.db2.gz DKQZMYNPYDXOJO-NSOVKSMOSA-N 0 3 459.609 4.726 20 0 JJADHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cnn(-c2ccccc2)c1Br ZINC001443152217 1066274457 /nfs/dbraw/zinc/27/44/57/1066274457.db2.gz AQECLSDKZIAQPS-OAQYLSRUSA-N 0 3 453.384 4.592 20 0 JJADHN CC(C)(C)OC(=O)NCCc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC001443161322 1066275746 /nfs/dbraw/zinc/27/57/46/1066275746.db2.gz JIKJWHJPAJFKLI-XMMPIXPASA-N 0 3 451.611 4.711 20 0 JJADHN CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001443163772 1066276003 /nfs/dbraw/zinc/27/60/03/1066276003.db2.gz LPJLLZCFNKJNGF-RBZQAINGSA-N 0 3 455.643 4.613 20 0 JJADHN CN1CCN(Cc2cccc(CNC(=O)CSc3cccc4cccc(Cl)c43)c2)CC1 ZINC001443159306 1066276080 /nfs/dbraw/zinc/27/60/80/1066276080.db2.gz YMNPNCBPIVEPJZ-UHFFFAOYSA-N 0 3 454.039 4.649 20 0 JJADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001443166220 1066276735 /nfs/dbraw/zinc/27/67/35/1066276735.db2.gz OLDJYKHEDUVCBV-NRFANRHFSA-N 0 3 458.393 4.590 20 0 JJADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001454399279 1066277195 /nfs/dbraw/zinc/27/71/95/1066277195.db2.gz FENDNXJOOBGAEV-HUVFLSCGSA-N 0 3 451.611 4.669 20 0 JJADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC001454396035 1066277340 /nfs/dbraw/zinc/27/73/40/1066277340.db2.gz BGETZDSLOJZXBZ-HNAYVOBHSA-N 0 3 454.924 4.583 20 0 JJADHN CCc1c(NC(=O)[C@H](C)N2CCc3ccccc3C2)[nH]nc1-c1ccc(Br)cc1 ZINC001443493740 1066318282 /nfs/dbraw/zinc/31/82/82/1066318282.db2.gz BCISZUCBIFNJFZ-HNNXBMFYSA-N 0 3 453.384 4.787 20 0 JJADHN CCN1CCN(CCNC(=O)c2oc3ccccc3c2CSc2ccccc2Cl)CC1 ZINC001443502057 1066319517 /nfs/dbraw/zinc/31/95/17/1066319517.db2.gz YIIQFGIMAYFXNK-UHFFFAOYSA-N 0 3 458.027 4.746 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@]3(C)Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC001454784016 1066333937 /nfs/dbraw/zinc/33/39/37/1066333937.db2.gz FMSWYPKEOZIYCJ-SANMLTNESA-N 0 3 458.021 4.923 20 0 JJADHN CN(CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)Cc1ccccc1 ZINC001443590889 1066334283 /nfs/dbraw/zinc/33/42/83/1066334283.db2.gz ZLDSWGSRXLOHPW-UHFFFAOYSA-N 0 3 454.039 4.958 20 0 JJADHN Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001454854926 1066336386 /nfs/dbraw/zinc/33/63/86/1066336386.db2.gz SUNMGDYHACMQNQ-ISKFKSNPSA-N 0 3 451.611 4.732 20 0 JJADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012602 1066353697 /nfs/dbraw/zinc/35/36/97/1066353697.db2.gz PVHASTWWMYLSJM-OYDLWJJNSA-N 0 3 451.611 4.588 20 0 JJADHN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@H]3CCCCN3Cc3ccccc3)c2)n1 ZINC001455083025 1066358656 /nfs/dbraw/zinc/35/86/56/1066358656.db2.gz VTVWGEGPTAAYEC-HSZRJFAPSA-N 0 3 459.594 4.669 20 0 JJADHN Cc1cccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)N2CCCC2)c1 ZINC001361110928 1066360315 /nfs/dbraw/zinc/36/03/15/1066360315.db2.gz UEOGUXJWPVAXGS-QFIPXVFZSA-N 0 3 451.615 4.829 20 0 JJADHN CC(C)(C)OC(=O)Nc1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1F ZINC001443924015 1066386332 /nfs/dbraw/zinc/38/63/32/1066386332.db2.gz GWXBWQULWIHMOA-UHFFFAOYSA-N 0 3 451.608 4.654 20 0 JJADHN Cc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC001443942141 1066386895 /nfs/dbraw/zinc/38/68/95/1066386895.db2.gz WNPSQQJLOIOCPX-NRFANRHFSA-N 0 3 458.606 4.792 20 0 JJADHN CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456004 1066392794 /nfs/dbraw/zinc/39/27/94/1066392794.db2.gz MXPNIBSDIOBXKJ-DNQXCXABSA-N 0 3 459.556 4.578 20 0 JJADHN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 ZINC001455461361 1066393635 /nfs/dbraw/zinc/39/36/35/1066393635.db2.gz CNHKUDLJUTZEDM-CUNXSJBXSA-N 0 3 451.630 4.764 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC001361138508 1066413683 /nfs/dbraw/zinc/41/36/83/1066413683.db2.gz AZRYYEJHZGYQBT-GMAHTHKFSA-N 0 3 453.656 4.790 20 0 JJADHN Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)s1 ZINC001361141663 1066421772 /nfs/dbraw/zinc/42/17/72/1066421772.db2.gz PUJLUXQHQNGLDR-SQHAQQRYSA-N 0 3 497.709 4.936 20 0 JJADHN Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)s1 ZINC001361141661 1066421977 /nfs/dbraw/zinc/42/19/77/1066421977.db2.gz PUJLUXQHQNGLDR-RPLLCQBOSA-N 0 3 497.709 4.936 20 0 JJADHN CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001444163957 1066423649 /nfs/dbraw/zinc/42/36/49/1066423649.db2.gz HASKHUBHYFRFBW-IDISGSTGSA-N 0 3 459.675 4.775 20 0 JJADHN C[C@H]1CCC[C@H](C)N(C(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001444217576 1066430971 /nfs/dbraw/zinc/43/09/71/1066430971.db2.gz JPRHVJQPXVASNZ-VXKWHMMOSA-N 0 3 457.659 4.973 20 0 JJADHN COc1cc(C)ccc1Oc1ccccc1CN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC001455906467 1066448805 /nfs/dbraw/zinc/44/88/05/1066448805.db2.gz VEXCATACUIQPTI-UHFFFAOYSA-N 0 3 452.595 4.789 20 0 JJADHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001444506209 1066469338 /nfs/dbraw/zinc/46/93/38/1066469338.db2.gz UFWIOVQJGBIKHW-NRFANRHFSA-N 0 3 455.643 4.822 20 0 JJADHN O=C(CCOc1cc(Cl)cc(Cl)c1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444540370 1066473489 /nfs/dbraw/zinc/47/34/89/1066473489.db2.gz JJWJHJYDASZCDU-UHFFFAOYSA-N 0 3 455.357 4.561 20 0 JJADHN O=C(/C=C\CCc1ccccc1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001444648440 1066488110 /nfs/dbraw/zinc/48/81/10/1066488110.db2.gz KFKIITPZPYPXBQ-UITAMQMPSA-N 0 3 457.412 4.598 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC001456052240 1066493889 /nfs/dbraw/zinc/49/38/89/1066493889.db2.gz DGVNXAVMEWHWDZ-UHFFFAOYSA-N 0 3 455.908 4.747 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC001456052052 1066493985 /nfs/dbraw/zinc/49/39/85/1066493985.db2.gz CMRBAKNEYPIGBF-UHFFFAOYSA-N 0 3 457.880 4.655 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001456054828 1066495144 /nfs/dbraw/zinc/49/51/44/1066495144.db2.gz JAYCCCKAISAMOK-UHFFFAOYSA-N 0 3 451.945 4.929 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC001456062946 1066499629 /nfs/dbraw/zinc/49/96/29/1066499629.db2.gz YWHXXILAPJJVOL-UHFFFAOYSA-N 0 3 453.945 4.935 20 0 JJADHN COc1cc(Br)ccc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001456072232 1066502656 /nfs/dbraw/zinc/50/26/56/1066502656.db2.gz IJVITWNAUNFBCF-UHFFFAOYSA-N 0 3 451.792 4.849 20 0 JJADHN CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001456100603 1066509267 /nfs/dbraw/zinc/50/92/67/1066509267.db2.gz REYGMKGTRGOMTE-UHFFFAOYSA-N 0 3 452.002 4.935 20 0 JJADHN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC001444849573 1066512002 /nfs/dbraw/zinc/51/20/02/1066512002.db2.gz RZFCSYOCXOQNFM-IBGZPJMESA-N 0 3 453.384 4.748 20 0 JJADHN Cc1ccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)o1 ZINC001361190585 1066516269 /nfs/dbraw/zinc/51/62/69/1066516269.db2.gz MAUDVUBIGNKSAQ-LJQANCHMSA-N 0 3 469.586 4.865 20 0 JJADHN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001361192143 1066519343 /nfs/dbraw/zinc/51/93/43/1066519343.db2.gz HZWFIICPBAUOLH-UKILVPOCSA-N 0 3 459.556 4.737 20 0 JJADHN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001545970506 1066521013 /nfs/dbraw/zinc/52/10/13/1066521013.db2.gz FYVJOFIQBPGKCM-GOSISDBHSA-N 0 3 491.080 4.822 20 0 JJADHN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OCCC ZINC001445043941 1066533127 /nfs/dbraw/zinc/53/31/27/1066533127.db2.gz CTJKXKTXJAKEEO-TZIWHRDSSA-N 0 3 452.595 4.708 20 0 JJADHN COc1ccc(CCC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c(Br)c1 ZINC001445270563 1066550871 /nfs/dbraw/zinc/55/08/71/1066550871.db2.gz LYBQTZRDPGRVSQ-UHFFFAOYSA-N 0 3 451.449 4.749 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CC2(C)C)cc1Br ZINC001361221151 1066559404 /nfs/dbraw/zinc/55/94/04/1066559404.db2.gz PGWXMUTTZCBCKP-SFHVURJKSA-N 0 3 460.464 4.983 20 0 JJADHN CC(C)(Cc1ccc(Br)cc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001456305944 1066560282 /nfs/dbraw/zinc/56/02/82/1066560282.db2.gz QSKVBUCXXOSYKO-UHFFFAOYSA-N 0 3 453.490 4.886 20 0 JJADHN Cc1ccc([C@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC(C)C)N(C)C)o1 ZINC001361238922 1066580316 /nfs/dbraw/zinc/58/03/16/1066580316.db2.gz YYZRPNGOGNJFKE-FYYLOGMGSA-N 0 3 499.681 4.568 20 0 JJADHN O=C(/C(F)=C/c1ccc(C(F)(F)F)cc1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456435884 1066585509 /nfs/dbraw/zinc/58/55/09/1066585509.db2.gz GLHUIHSBJHAFGM-XLNRJJMWSA-N 0 3 450.476 4.767 20 0 JJADHN C[C@H]1CC[C@H](c2nc(CC(=O)N3CCCN(Cc4ccccc4)CCOCC3)cs2)CC1 ZINC001456437317 1066586033 /nfs/dbraw/zinc/58/60/33/1066586033.db2.gz MKRVVWBIITYMPF-AFARHQOCSA-N 0 3 455.668 4.730 20 0 JJADHN Cc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC001361247109 1066589333 /nfs/dbraw/zinc/58/93/33/1066589333.db2.gz PLTKMXJDKZZFNO-QFIPXVFZSA-N 0 3 467.683 4.873 20 0 JJADHN COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)ccc2c1 ZINC001456489899 1066597488 /nfs/dbraw/zinc/59/74/88/1066597488.db2.gz NEBSKPBUCCTUDP-KVTOOOBYSA-N 0 3 457.574 4.667 20 0 JJADHN Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001361251403 1066598833 /nfs/dbraw/zinc/59/88/33/1066598833.db2.gz QSSMWVCFAUTXNY-IBGZPJMESA-N 0 3 457.003 4.896 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2c(Cl)cccc2OCC2CC2)cc1)[C@H]1CCCN(C)C1 ZINC001456498454 1066600902 /nfs/dbraw/zinc/60/09/02/1066600902.db2.gz HMSAZMCQCWPUMH-FQEVSTJZSA-N 0 3 455.986 4.547 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC001456501695 1066602861 /nfs/dbraw/zinc/60/28/61/1066602861.db2.gz WIMRKJCGRYPBSL-OAQYLSRUSA-N 0 3 459.512 4.542 20 0 JJADHN COC1CCN(C2(CNC(=O)c3sc(C(C)(C)c4ccccc4)nc3C)CCCC2)CC1 ZINC001456501634 1066602992 /nfs/dbraw/zinc/60/29/92/1066602992.db2.gz WCDDFTRPIWFEKE-UHFFFAOYSA-N 0 3 455.668 4.931 20 0 JJADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778291 1066615893 /nfs/dbraw/zinc/61/58/93/1066615893.db2.gz CLBRMPQIIOBSJH-SJCJKPOMSA-N 0 3 450.764 4.502 20 0 JJADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CN1Cc1ccccc1 ZINC001445784972 1066616688 /nfs/dbraw/zinc/61/66/88/1066616688.db2.gz GONWHNAKJPQGOI-CZUORRHYSA-N 0 3 457.290 4.741 20 0 JJADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790300 1066618050 /nfs/dbraw/zinc/61/80/50/1066618050.db2.gz RWMMBGFNZFLDIQ-OMWUSAIZSA-N 0 3 456.414 4.500 20 0 JJADHN COC(=O)c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC001445838724 1066624969 /nfs/dbraw/zinc/62/49/69/1066624969.db2.gz BSCPOYQPMYPFQX-UHFFFAOYSA-N 0 3 455.967 4.987 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](COCc3ccccc3)c3ccccc3)cc2)CC1 ZINC001456586486 1066633731 /nfs/dbraw/zinc/63/37/31/1066633731.db2.gz NJLVSXXLJCFHNL-NDEPHWFRSA-N 0 3 457.618 4.905 20 0 JJADHN Cc1c(Br)cncc1C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001361278612 1066636018 /nfs/dbraw/zinc/63/60/18/1066636018.db2.gz BZXFFQOWWQVKRZ-UHFFFAOYSA-N 0 3 452.396 4.927 20 0 JJADHN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCN(C)C)Cc4cccc(O)c4)cc3)o2)c1 ZINC001445964869 1066640272 /nfs/dbraw/zinc/64/02/72/1066640272.db2.gz BVPMJDKMZXXJGY-UHFFFAOYSA-N 0 3 456.546 4.622 20 0 JJADHN CC[C@H](Cc1ccccc1Br)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001446037410 1066649978 /nfs/dbraw/zinc/64/99/78/1066649978.db2.gz SFEVATYEWFJGHN-HXUWFJFHSA-N 0 3 459.428 4.861 20 0 JJADHN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001446037409 1066650003 /nfs/dbraw/zinc/65/00/03/1066650003.db2.gz SFEVATYEWFJGHN-FQEVSTJZSA-N 0 3 459.428 4.861 20 0 JJADHN Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001492600078 1066652546 /nfs/dbraw/zinc/65/25/46/1066652546.db2.gz HUIBFMMPIRLUIZ-NRFANRHFSA-N 0 3 462.623 4.528 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085180 1066657398 /nfs/dbraw/zinc/65/73/98/1066657398.db2.gz GQMSFOFZFNZLPK-WIOPSUGQSA-N 0 3 452.595 4.862 20 0 JJADHN CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001492609125 1066670562 /nfs/dbraw/zinc/67/05/62/1066670562.db2.gz MNMWDVXYSOIQJK-SFHVURJKSA-N 0 3 475.460 4.567 20 0 JJADHN COc1cccc(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)c1OC(F)F ZINC001456770302 1066685303 /nfs/dbraw/zinc/68/53/03/1066685303.db2.gz QWVZPFWCFXJEJS-RTBURBONSA-N 0 3 474.529 4.712 20 0 JJADHN Cc1csc([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCN(C)Cc3ccc(F)cc3)C2)n1 ZINC001492641947 1066735300 /nfs/dbraw/zinc/73/53/00/1066735300.db2.gz KWSWWFDQOLMNPK-FQEVSTJZSA-N 0 3 470.662 4.996 20 0 JJADHN Cc1csc([C@H]2CCCN(c3nnc(C(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)C2)n1 ZINC001492643127 1066738878 /nfs/dbraw/zinc/73/88/78/1066738878.db2.gz ZFPZHWQZULUQNE-PZJWPPBQSA-N 0 3 456.635 4.992 20 0 JJADHN C[C@@H](CC(=O)Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)C(=O)c1ccccc1 ZINC001446824782 1066745072 /nfs/dbraw/zinc/74/50/72/1066745072.db2.gz QDPFEXRZFJSNPN-QHCPKHFHSA-N 0 3 455.602 4.899 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647122 1066750942 /nfs/dbraw/zinc/75/09/42/1066750942.db2.gz XTADVQUHAMACLO-VXKWHMMOSA-N 0 3 457.619 4.968 20 0 JJADHN Cc1cscc1Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(C)C)CC1 ZINC001492653502 1066761890 /nfs/dbraw/zinc/76/18/90/1066761890.db2.gz BBWTZOCKLCKFTR-UHFFFAOYSA-N 0 3 480.501 4.965 20 0 JJADHN Cc1nc(C)c(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492654986 1066765302 /nfs/dbraw/zinc/76/53/02/1066765302.db2.gz JQQLVJNMAVFIAV-UHFFFAOYSA-N 0 3 477.053 4.974 20 0 JJADHN CS[C@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@H]1N1CCCC1 ZINC001447359369 1066798039 /nfs/dbraw/zinc/79/80/39/1066798039.db2.gz FGXSLKIHEGSCCJ-MJGOQNOKSA-N 0 3 452.407 4.833 20 0 JJADHN CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001447361485 1066798801 /nfs/dbraw/zinc/79/88/01/1066798801.db2.gz RWGIWICHTRAQCZ-XCZPVHLTSA-N 0 3 458.602 4.812 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)CC[C@@H]3C)n2C[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001492671561 1066802671 /nfs/dbraw/zinc/80/26/71/1066802671.db2.gz ZBECSSPIPGRXLW-JLHGSKIFSA-N 0 3 456.635 4.701 20 0 JJADHN Cc1nc(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671990 1066803771 /nfs/dbraw/zinc/80/37/71/1066803771.db2.gz KJLUKRLQEQQPFW-DENIHFKCSA-N 0 3 470.662 4.948 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccccc2C(F)(F)F)cs1 ZINC001492681298 1066823714 /nfs/dbraw/zinc/82/37/14/1066823714.db2.gz RSXUMPPFOVKZCC-UHFFFAOYSA-N 0 3 492.615 4.673 20 0 JJADHN Cc1nc(CCn2c(-c3ccc(Br)s3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001492687862 1066834563 /nfs/dbraw/zinc/83/45/63/1066834563.db2.gz SMVINGFMEFSOKT-UHFFFAOYSA-N 0 3 495.516 4.555 20 0 JJADHN C[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1cccs1 ZINC001447760935 1066855064 /nfs/dbraw/zinc/85/50/64/1066855064.db2.gz RDSSEBCFRUUWKH-IBGZPJMESA-N 0 3 457.640 4.875 20 0 JJADHN CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457540561 1066855965 /nfs/dbraw/zinc/85/59/65/1066855965.db2.gz UYQXYEOTIJVVAD-SMIHKQSGSA-N 0 3 457.659 4.973 20 0 JJADHN CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457544933 1066857391 /nfs/dbraw/zinc/85/73/91/1066857391.db2.gz MKDFNPHIIXXHFW-JOCHJYFZSA-N 0 3 456.428 4.786 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001448128276 1066903109 /nfs/dbraw/zinc/90/31/09/1066903109.db2.gz XHVNUZOKQWBZIU-JRFVFWCSSA-N 0 3 459.675 4.933 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001492735607 1066909447 /nfs/dbraw/zinc/90/94/47/1066909447.db2.gz CHHHHXKOFNOALI-FQEVSTJZSA-N 0 3 469.684 4.510 20 0 JJADHN C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(Cl)c1)N1CCCCCC1 ZINC001448295973 1066916642 /nfs/dbraw/zinc/91/66/42/1066916642.db2.gz MZHYRKOJOVXRJM-NQIIRXRSSA-N 0 3 450.023 4.725 20 0 JJADHN CN(C)C[C@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406916 1066924449 /nfs/dbraw/zinc/92/44/49/1066924449.db2.gz SCFHWBZUSPTKBE-LOSJGSFVSA-N 0 3 452.982 4.762 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc(C)c1Br ZINC001458094647 1066973372 /nfs/dbraw/zinc/97/33/72/1066973372.db2.gz QAUWVIIQJQXWNG-IBGZPJMESA-N 0 3 453.384 4.962 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCCNc1ccccn1)c1ccccc1 ZINC001545731967 1066992556 /nfs/dbraw/zinc/99/25/56/1066992556.db2.gz VSJSNBRKSCFLEJ-CQOQZXRMSA-N 0 3 461.658 4.636 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001545732043 1066993066 /nfs/dbraw/zinc/99/30/66/1066993066.db2.gz WQFHMWPQQPNIFT-ZZLPTCMGSA-N 0 3 492.634 4.623 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736184 1066999761 /nfs/dbraw/zinc/99/97/61/1066999761.db2.gz LRXBGJZERZBTDT-UKILVPOCSA-N 0 3 466.718 4.720 20 0 JJADHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 ZINC001449333155 1067000770 /nfs/dbraw/zinc/00/07/70/1067000770.db2.gz OQOQICVJZXCFPG-DEOSSOPVSA-N 0 3 456.546 4.753 20 0 JJADHN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001449375133 1067005294 /nfs/dbraw/zinc/00/52/94/1067005294.db2.gz RJMBPGJBGUFARG-HXUWFJFHSA-N 0 3 456.455 4.744 20 0 JJADHN CC[C@@H](c1nnc(N2CCCC(C)(C)C2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545745609 1067012397 /nfs/dbraw/zinc/01/23/97/1067012397.db2.gz DDYUXIGARRGOJL-ILBGXUMGSA-N 0 3 466.718 4.720 20 0 JJADHN O=S(=O)(c1cc(F)ccc1N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC001458283247 1067020857 /nfs/dbraw/zinc/02/08/57/1067020857.db2.gz JVBINHKRCJLCQO-YTQUADARSA-N 0 3 456.505 4.832 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001545758707 1067039867 /nfs/dbraw/zinc/03/98/67/1067039867.db2.gz LQLBCUZNFHABJZ-QHCPKHFHSA-N 0 3 482.717 4.541 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1C[C@](C)(O)C1CCCCC1)c1ccccc1 ZINC001545759346 1067042311 /nfs/dbraw/zinc/04/23/11/1067042311.db2.gz WPUFIAUHQHKGRY-LSYYVWMOSA-N 0 3 467.702 4.929 20 0 JJADHN O=C(NC[C@@H]1CCCN1CCCO)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC001450063638 1067046506 /nfs/dbraw/zinc/04/65/06/1067046506.db2.gz HDATZICISKNTOU-IBGZPJMESA-N 0 3 453.435 4.862 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450127491 1067051556 /nfs/dbraw/zinc/05/15/56/1067051556.db2.gz KRMDACPAOOWYGQ-JOCHJYFZSA-N 0 3 455.624 4.739 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)N(C)C)cc1 ZINC001450132533 1067052162 /nfs/dbraw/zinc/05/21/62/1067052162.db2.gz PXXLLAJWVAOUPH-QHCPKHFHSA-N 0 3 452.599 4.645 20 0 JJADHN C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(N2CCCCC2=O)cc1 ZINC001450541393 1067088588 /nfs/dbraw/zinc/08/85/88/1067088588.db2.gz OBUJTSLYGDVGHT-WMZHIEFXSA-N 0 3 455.549 4.538 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)N(C)C)cc1 ZINC001450546845 1067089538 /nfs/dbraw/zinc/08/95/38/1067089538.db2.gz RGEBMEPXZIZIHY-RDGATRHJSA-N 0 3 452.643 4.700 20 0 JJADHN Cc1nc(COc2cccc(C(=O)NC[C@H](c3ccc(OC(C)C)cc3)N(C)C)c2)cs1 ZINC001450548513 1067089721 /nfs/dbraw/zinc/08/97/21/1067089721.db2.gz RWVHOSGCJPTZNA-XMMPIXPASA-N 0 3 453.608 4.850 20 0 JJADHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450553132 1067090443 /nfs/dbraw/zinc/09/04/43/1067090443.db2.gz ZEPZQZGOFKSEJY-QFIPXVFZSA-N 0 3 459.562 4.993 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC001458634035 1067099381 /nfs/dbraw/zinc/09/93/81/1067099381.db2.gz WDKQNAGOTYLPIS-VGOFRKELSA-N 0 3 456.011 4.555 20 0 JJADHN CCC(CC)[C@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001545799063 1067103847 /nfs/dbraw/zinc/10/38/47/1067103847.db2.gz WJQOXKVVTIQRHR-DEOSSOPVSA-N 0 3 490.092 4.741 20 0 JJADHN CCN(C(=O)c1ccc(OC(F)F)c(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001458669816 1067104985 /nfs/dbraw/zinc/10/49/85/1067104985.db2.gz PJGJEFOKGJXRAI-QGZVFWFLSA-N 0 3 453.327 4.787 20 0 JJADHN Cc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)c1 ZINC001450699929 1067106104 /nfs/dbraw/zinc/10/61/04/1067106104.db2.gz KOUCBLPFKAQJBD-IBGZPJMESA-N 0 3 459.428 4.786 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545805336 1067118727 /nfs/dbraw/zinc/11/87/27/1067118727.db2.gz LRKUWEZYZGRBAV-OFVILXPXSA-N 0 3 469.674 4.717 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(I)c2)N(C)C)cc1 ZINC001450778475 1067119892 /nfs/dbraw/zinc/11/98/92/1067119892.db2.gz CYHKKJCDPROMAN-HXUWFJFHSA-N 0 3 450.364 4.522 20 0 JJADHN C[C@H]1[C@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC001450789470 1067121135 /nfs/dbraw/zinc/12/11/35/1067121135.db2.gz JOBYHXMSEWGVQU-XUZZJYLKSA-N 0 3 457.659 4.973 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450803130 1067123352 /nfs/dbraw/zinc/12/33/52/1067123352.db2.gz OLXWHUWAJYAGJE-IIBYNOLFSA-N 0 3 452.565 4.783 20 0 JJADHN COC(=O)C[C@@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC001450803088 1067123378 /nfs/dbraw/zinc/12/33/78/1067123378.db2.gz OLOSCDWWAJICCE-JIPXPUAJSA-N 0 3 458.602 4.903 20 0 JJADHN C[C@H]1[C@@H](NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CCN1Cc1ccccc1 ZINC001450806771 1067124170 /nfs/dbraw/zinc/12/41/70/1067124170.db2.gz WVIDEPXKJUJTCY-FPOVZHCZSA-N 0 3 454.640 4.592 20 0 JJADHN O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001545809151 1067135123 /nfs/dbraw/zinc/13/51/23/1067135123.db2.gz WHMCEOLPAAKWJM-HIFRSBDPSA-N 0 3 453.848 4.806 20 0 JJADHN CCCCCC[C@@H](O)CCC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001450908615 1067135313 /nfs/dbraw/zinc/13/53/13/1067135313.db2.gz SHESCPPBQVVVRC-XMMPIXPASA-N 0 3 450.067 4.565 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)S[C@H](C)C1)N1CCOCC1 ZINC001545809630 1067136440 /nfs/dbraw/zinc/13/64/40/1067136440.db2.gz HTPFHVZJWRYYJY-LGVFNWMJSA-N 0 3 471.715 4.721 20 0 JJADHN COc1cccc(-c2nnc(SCCN(C)Cc3ccc(F)cc3)n2Cc2ccco2)c1 ZINC001458808025 1067151387 /nfs/dbraw/zinc/15/13/87/1067151387.db2.gz FLJDJCNSPQUCES-UHFFFAOYSA-N 0 3 452.555 4.958 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)on1 ZINC001545823385 1067166317 /nfs/dbraw/zinc/16/63/17/1067166317.db2.gz KWBUCECIWZYSGR-DLBZAZTESA-N 0 3 472.037 4.852 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1C[C@H](C)N1CCC(C)CC1 ZINC001545835375 1067187116 /nfs/dbraw/zinc/18/71/16/1067187116.db2.gz WABQTMGFROUVAF-FQEVSTJZSA-N 0 3 480.657 4.700 20 0 JJADHN Cc1cccc(COc2ccc(CNC(=O)CCCN3CCN(c4ccccc4)CC3)cc2)c1 ZINC001458913810 1067195426 /nfs/dbraw/zinc/19/54/26/1067195426.db2.gz JKSBCAYPWNVWAJ-UHFFFAOYSA-N 0 3 457.618 4.793 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001545846034 1067198679 /nfs/dbraw/zinc/19/86/79/1067198679.db2.gz ZLGJLGLXZPPZQA-OAQYLSRUSA-N 0 3 472.703 4.547 20 0 JJADHN COCCN1CCC[C@H](NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1 ZINC001451966740 1067201154 /nfs/dbraw/zinc/20/11/54/1067201154.db2.gz IUJJLIFLOSKXCN-QHCPKHFHSA-N 0 3 454.014 4.503 20 0 JJADHN CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001452138256 1067208987 /nfs/dbraw/zinc/20/89/87/1067208987.db2.gz QZAXZIKAGWMQGU-FWWADLIHSA-N 0 3 455.643 4.701 20 0 JJADHN CCC1(CC)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)N2CCCCC2)C1 ZINC001546105193 1067212073 /nfs/dbraw/zinc/21/20/73/1067212073.db2.gz XXTKOAAPMYCDBH-OAQYLSRUSA-N 0 3 487.714 4.630 20 0 JJADHN O=C(NCC1CCN(Cc2ccncc2)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC001452977706 1067270091 /nfs/dbraw/zinc/27/00/91/1067270091.db2.gz WWKIAIBPKIOZKM-UHFFFAOYSA-N 0 3 456.428 4.684 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001453142112 1067283188 /nfs/dbraw/zinc/28/31/88/1067283188.db2.gz IQKZBNHDLBYTBX-NRFANRHFSA-N 0 3 456.586 4.811 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)CC2)c1 ZINC001453142118 1067283208 /nfs/dbraw/zinc/28/32/08/1067283208.db2.gz IQKZBNHDLBYTBX-OAQYLSRUSA-N 0 3 456.586 4.811 20 0 JJADHN COc1ccc(CN(C)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1F ZINC001459307094 1067289142 /nfs/dbraw/zinc/28/91/42/1067289142.db2.gz AQLPIVISMLXKPW-DEOSSOPVSA-N 0 3 456.583 4.684 20 0 JJADHN COc1ccccc1OCCN(C)CCOc1c(Br)cccc1Br ZINC001459322969 1067294489 /nfs/dbraw/zinc/29/44/89/1067294489.db2.gz DSCMMEFNNKQPCC-UHFFFAOYSA-N 0 3 459.178 4.610 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(CCN2CCN(Cc3csc(C(C)(C)C)n3)CC2)CC1 ZINC001459362030 1067303628 /nfs/dbraw/zinc/30/36/28/1067303628.db2.gz KLSWHNMLMKDFDH-UHFFFAOYSA-N 0 3 450.693 4.595 20 0 JJADHN CCOC(=O)C1=C(CNC(C)(C)CCc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459440994 1067325607 /nfs/dbraw/zinc/32/56/07/1067325607.db2.gz UMXZPGHQHWNPKB-JOCHJYFZSA-N 0 3 455.986 4.512 20 0 JJADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCC(=O)Nc1cc(F)ccc1C ZINC001459508429 1067341079 /nfs/dbraw/zinc/34/10/79/1067341079.db2.gz BDNUZTDKUIYKTP-PKTZIBPZSA-N 0 3 455.574 4.974 20 0 JJADHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC001459567334 1067354216 /nfs/dbraw/zinc/35/42/16/1067354216.db2.gz VBIIOGMAPHRXKL-RCZSKKKRSA-N 0 3 459.512 4.869 20 0 JJADHN Cc1ccc(CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)Cc2ccco2)cc1 ZINC001459581915 1067356621 /nfs/dbraw/zinc/35/66/21/1067356621.db2.gz LPASMSXMTSMVPS-UHFFFAOYSA-N 0 3 459.634 4.676 20 0 JJADHN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC001459605695 1067361003 /nfs/dbraw/zinc/36/10/03/1067361003.db2.gz PHWUKLPXIOSAIL-FQEVSTJZSA-N 0 3 453.421 4.594 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@H](CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714240 1067392833 /nfs/dbraw/zinc/39/28/33/1067392833.db2.gz ADDMAIKLBZJECC-CTNGQTDRSA-N 0 3 455.599 4.664 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@@H](CN2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)C1 ZINC001459714256 1067392899 /nfs/dbraw/zinc/39/28/99/1067392899.db2.gz ADDMAIKLBZJECC-FPOVZHCZSA-N 0 3 455.599 4.664 20 0 JJADHN COc1ccc([C@H](NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723919 1067396365 /nfs/dbraw/zinc/39/63/65/1067396365.db2.gz WTEYAAIPWHPRNP-DHIUTWEWSA-N 0 3 456.558 4.682 20 0 JJADHN C[C@H]1CCc2c(sc3nc(CCN(C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755201 1067408536 /nfs/dbraw/zinc/40/85/36/1067408536.db2.gz JGPCXKRDRGVFKI-ZDUSSCGKSA-N 0 3 450.530 4.971 20 0 JJADHN C[C@H](c1ccccc1Cl)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782401 1067419557 /nfs/dbraw/zinc/41/95/57/1067419557.db2.gz YPXVFKQFVHRFTF-LQWHRVPQSA-N 0 3 450.023 4.629 20 0 JJADHN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC001459788378 1067422762 /nfs/dbraw/zinc/42/27/62/1067422762.db2.gz BODVOTWSWPFRQT-WZONZLPQSA-N 0 3 454.018 4.868 20 0 JJADHN COc1ccc(-c2nc(NC(=O)CN[C@@H](C[C@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818443 1067437220 /nfs/dbraw/zinc/43/72/20/1067437220.db2.gz RTJGWFYMHSAPCO-GCJKJVERSA-N 0 3 451.592 4.823 20 0 JJADHN COc1ccc(-c2nc(NC(=O)CN[C@H](C[C@@H]3CCOC3)c3ccccc3)sc2C)cc1 ZINC001459818445 1067437725 /nfs/dbraw/zinc/43/77/25/1067437725.db2.gz RTJGWFYMHSAPCO-PGRDOPGGSA-N 0 3 451.592 4.823 20 0 JJADHN CC(C)(C)C[C@H](NCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(F)cc1 ZINC001459832414 1067444261 /nfs/dbraw/zinc/44/42/61/1067444261.db2.gz URCQGWSQUHMDFC-NRFANRHFSA-N 0 3 454.525 4.524 20 0 JJADHN C[C@@H](NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850125 1067455211 /nfs/dbraw/zinc/45/52/11/1067455211.db2.gz ZTPNSZYRONBTRT-IIBYNOLFSA-N 0 3 451.945 4.545 20 0 JJADHN C[C@H](NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc(OC(F)F)c1 ZINC001459850127 1067455524 /nfs/dbraw/zinc/45/55/24/1067455524.db2.gz ZTPNSZYRONBTRT-KKSFZXQISA-N 0 3 451.945 4.545 20 0 JJADHN O[C@@H](CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851028 1067456127 /nfs/dbraw/zinc/45/61/27/1067456127.db2.gz GFBJYITZJDCSGL-APWZRJJASA-N 0 3 451.384 4.667 20 0 JJADHN O[C@@H](CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(F)c(Br)c1 ZINC001459851028 1067456132 /nfs/dbraw/zinc/45/61/32/1067456132.db2.gz GFBJYITZJDCSGL-APWZRJJASA-N 0 3 451.384 4.667 20 0 JJADHN Cc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 ZINC001459887859 1067473628 /nfs/dbraw/zinc/47/36/28/1067473628.db2.gz CPHVRBZYMUBOTH-FQEVSTJZSA-N 0 3 457.640 4.546 20 0 JJADHN Cc1ccc([C@@H](CC(F)(F)F)NC[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908037 1067484108 /nfs/dbraw/zinc/48/41/08/1067484108.db2.gz RZWMOGAYFJRIDN-FYYLOGMGSA-N 0 3 450.501 4.742 20 0 JJADHN CC(C)[C@@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002858 1067522380 /nfs/dbraw/zinc/52/23/80/1067522380.db2.gz FAXCMDQYTMOQHM-WZONZLPQSA-N 0 3 459.656 4.548 20 0 JJADHN CC(C)[C@@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC001460008059 1067525178 /nfs/dbraw/zinc/52/51/78/1067525178.db2.gz SLGXVEDYOUBOBY-AREMUKBSSA-N 0 3 455.687 4.912 20 0 JJADHN CCN(CC)C(=O)OC[C@@H]1CCCCN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066493 1067544110 /nfs/dbraw/zinc/54/41/10/1067544110.db2.gz HZJHNXOVYQQYMD-DEOSSOPVSA-N 0 3 451.611 4.615 20 0 JJADHN COc1ccccc1[C@H]1CC[C@H](C)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460086733 1067550055 /nfs/dbraw/zinc/55/00/55/1067550055.db2.gz WJLQKRZINMLIOJ-GBXCKJPGSA-N 0 3 453.652 4.656 20 0 JJADHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460086737 1067550217 /nfs/dbraw/zinc/55/02/17/1067550217.db2.gz WJLQKRZINMLIOJ-RDPSFJRHSA-N 0 3 453.652 4.656 20 0 JJADHN CCn1c2ccccc2c2cc(NC(=O)CN[C@@H](C)[C@H](Cc3ccccc3)C(=O)OC)ccc21 ZINC001460093394 1067552613 /nfs/dbraw/zinc/55/26/13/1067552613.db2.gz KLJZXSDMTLSDQR-CVDCTZTESA-N 0 3 457.574 4.763 20 0 JJADHN C[C@@]1(c2ccccc2)CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC001460098629 1067554912 /nfs/dbraw/zinc/55/49/12/1067554912.db2.gz JHQUTUIHLANSRZ-HSZRJFAPSA-N 0 3 457.500 4.668 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC001460115905 1067558392 /nfs/dbraw/zinc/55/83/92/1067558392.db2.gz AYRXIZZTZAOSPQ-OAHLLOKOSA-N 0 3 453.327 4.645 20 0 JJADHN O=C1[C@@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137617 1067562897 /nfs/dbraw/zinc/56/28/97/1067562897.db2.gz HISSHWMGDKCUMY-QRWLVFNGSA-N 0 3 451.767 4.912 20 0 JJADHN Fc1cccc(CC2(NCc3cc(Cl)ccc3I)CCOCC2)c1 ZINC001460144867 1067564175 /nfs/dbraw/zinc/56/41/75/1067564175.db2.gz HHKMMIXGZJBCOD-UHFFFAOYSA-N 0 3 459.730 4.965 20 0 JJADHN COc1cc(CN2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198951 1067577192 /nfs/dbraw/zinc/57/71/92/1067577192.db2.gz RRBUKXRDZBTENG-KNQAVFIVSA-N 0 3 450.645 4.701 20 0 JJADHN COc1cc(CN2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)ccc1SC ZINC001460198952 1067577284 /nfs/dbraw/zinc/57/72/84/1067577284.db2.gz RRBUKXRDZBTENG-SIKLNZKXSA-N 0 3 450.645 4.701 20 0 JJADHN CC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001460210098 1067579957 /nfs/dbraw/zinc/57/99/57/1067579957.db2.gz DOCZNIOZMMPFDH-PGMDNKBISA-N 0 3 459.565 4.613 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC001460210273 1067580023 /nfs/dbraw/zinc/58/00/23/1067580023.db2.gz AGOIOSKEPMLDRH-FQEVSTJZSA-N 0 3 451.611 4.625 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)C1 ZINC001460238949 1067588294 /nfs/dbraw/zinc/58/82/94/1067588294.db2.gz JNSLCIYSSVKORY-NFBKMPQASA-N 0 3 459.562 4.765 20 0 JJADHN C[C@@H]1C[C@@H](C)N(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001460269623 1067594255 /nfs/dbraw/zinc/59/42/55/1067594255.db2.gz GJBMPBXBYPYULM-LMMKCTJWSA-N 0 3 453.023 4.915 20 0 JJADHN COC(=O)[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273028 1067594884 /nfs/dbraw/zinc/59/48/84/1067594884.db2.gz AFQREFRYMWLCSF-SCTDSRPQSA-N 0 3 473.194 4.678 20 0 JJADHN C[C@@H]1CC2(CN1C[C@@H](O)c1ccccc1Br)CCN(C(=O)OC(C)(C)C)CC2 ZINC001460279179 1067596712 /nfs/dbraw/zinc/59/67/12/1067596712.db2.gz YCQSPBDXJZFBDT-VQIMIIECSA-N 0 3 453.421 4.594 20 0 JJADHN COC(=O)[C@@H]1CN(CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001460314443 1067605517 /nfs/dbraw/zinc/60/55/17/1067605517.db2.gz SXJLTOIXDMZOQQ-LEWJYISDSA-N 0 3 459.970 4.563 20 0 JJADHN CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC001460338334 1067611470 /nfs/dbraw/zinc/61/14/70/1067611470.db2.gz MGJAYJKLFPHYRH-FOIQADDNSA-N 0 3 451.430 4.926 20 0 JJADHN C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F ZINC001460388386 1067624266 /nfs/dbraw/zinc/62/42/66/1067624266.db2.gz HEUVFCBCFFWYBO-YIFZBPKDSA-N 0 3 477.527 4.814 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC001460392138 1067624953 /nfs/dbraw/zinc/62/49/53/1067624953.db2.gz RHBGUBZYVOBIAB-JWQCQUIFSA-N 0 3 481.612 4.700 20 0 JJADHN C[C@]1(Cc2ccccc2Cl)CCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460403366 1067627333 /nfs/dbraw/zinc/62/73/33/1067627333.db2.gz DJBVGVXPVUHRJM-RUZDIDTESA-N 0 3 458.071 4.925 20 0 JJADHN CC(C)[C@H]1CN([C@@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001460428466 1067633211 /nfs/dbraw/zinc/63/32/11/1067633211.db2.gz GXSWQJKCNABOQR-DHIUTWEWSA-N 0 3 456.428 4.545 20 0 JJADHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC001460458070 1067638142 /nfs/dbraw/zinc/63/81/42/1067638142.db2.gz MQKHPZYKEYFKLE-VWLOTQADSA-N 0 3 458.624 4.760 20 0 JJADHN C[C@H](NC(=O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478688 1067641789 /nfs/dbraw/zinc/64/17/89/1067641789.db2.gz BJVBGRDQYOVQGG-KSSFIOAISA-N 0 3 456.414 4.692 20 0 JJADHN Cc1cc(NC(=O)CN2CC(C)(C)N(Cc3ccccc3)CC2(C)C)n(-c2ccc(C)cc2)n1 ZINC001460524382 1067649604 /nfs/dbraw/zinc/64/96/04/1067649604.db2.gz RYORTRQNNYQWDS-UHFFFAOYSA-N 0 3 459.638 4.803 20 0 JJADHN CC(C)Oc1ccc(CCNC(=O)CN2CC(C)(C)N(Cc3ccccc3)CC2(C)C)cc1 ZINC001460524324 1067649621 /nfs/dbraw/zinc/64/96/21/1067649621.db2.gz QURBQCIADAWSNU-UHFFFAOYSA-N 0 3 451.655 4.508 20 0 JJADHN COc1ccc(Cl)cc1NC(=O)CCN1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001460535108 1067652566 /nfs/dbraw/zinc/65/25/66/1067652566.db2.gz UXQBRHYGBBYBRJ-UHFFFAOYSA-N 0 3 452.986 4.947 20 0 JJADHN Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654872 1067689384 /nfs/dbraw/zinc/68/93/84/1067689384.db2.gz GYKMFBWMVDVSQL-IRXDYDNUSA-N 0 3 455.546 4.979 20 0 JJADHN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC001460719461 1067708748 /nfs/dbraw/zinc/70/87/48/1067708748.db2.gz PTOXCDIUBRYUOA-QHCPKHFHSA-N 0 3 452.954 4.979 20 0 JJADHN COc1cccc([C@@H]2CCN(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2(C)C)c1 ZINC001460721417 1067709372 /nfs/dbraw/zinc/70/93/72/1067709372.db2.gz VEFGVOHSCUAEKN-IBGZPJMESA-N 0 3 453.539 4.539 20 0 JJADHN CCN(Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC001460738882 1067712526 /nfs/dbraw/zinc/71/25/26/1067712526.db2.gz RXMLDFZMOHPBDX-HXUWFJFHSA-N 0 3 454.394 4.900 20 0 JJADHN CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(C)(C)C ZINC001460759061 1067718119 /nfs/dbraw/zinc/71/81/19/1067718119.db2.gz DZAOSXKDFJTAJL-RBZQAINGSA-N 0 3 468.613 4.914 20 0 JJADHN COc1ccc([C@H](CNCc2cc(OC(F)F)ccc2Br)N2CCCC2)cc1 ZINC001460990116 1067758412 /nfs/dbraw/zinc/75/84/12/1067758412.db2.gz VKNXIAFSICCQOA-FQEVSTJZSA-N 0 3 455.343 4.986 20 0 JJADHN CCOc1c(Br)cc(Br)cc1CNCCOc1ccc(OC)cc1 ZINC001461003916 1067761061 /nfs/dbraw/zinc/76/10/61/1067761061.db2.gz AOHUOZOKMOQGRY-UHFFFAOYSA-N 0 3 459.178 4.788 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC001461050162 1067769524 /nfs/dbraw/zinc/76/95/24/1067769524.db2.gz KQAONWCRLDGOKV-OSPHWJPCSA-N 0 3 456.993 4.833 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001461050164 1067769565 /nfs/dbraw/zinc/76/95/65/1067769565.db2.gz KQAONWCRLDGOKV-XDHUDOTRSA-N 0 3 456.993 4.833 20 0 JJADHN COc1ncc(Br)cc1CNC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001461050488 1067769581 /nfs/dbraw/zinc/76/95/81/1067769581.db2.gz HFWJWTGPQUQEQV-HXUWFJFHSA-N 0 3 458.425 4.803 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001461050156 1067769640 /nfs/dbraw/zinc/76/96/40/1067769640.db2.gz KQAONWCRLDGOKV-BXKMTCNYSA-N 0 3 456.993 4.833 20 0 JJADHN Fc1ccc(N2CCN(c3cc(CNCc4ccccc4CC(F)(F)F)ccn3)CC2)cc1 ZINC001461056230 1067771517 /nfs/dbraw/zinc/77/15/17/1067771517.db2.gz IHUZRZZFWHIQBO-UHFFFAOYSA-N 0 3 458.503 4.942 20 0 JJADHN CC[C@H](NCc1ccnc2c(Br)cccc12)c1ccccc1OCC(=O)N(C)C ZINC001461064830 1067774194 /nfs/dbraw/zinc/77/41/94/1067774194.db2.gz QWPHZVNJSGOZPV-FQEVSTJZSA-N 0 3 456.384 4.705 20 0 JJADHN O=C(CCNCc1cc(Cl)ccc1OC1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001461071515 1067776056 /nfs/dbraw/zinc/77/60/56/1067776056.db2.gz IXMMHTXCQRAMFT-UHFFFAOYSA-N 0 3 459.993 4.629 20 0 JJADHN Cc1ccc([C@H](CNCc2cc(C(F)(F)F)ccc2Br)N2CCOCC2)cc1 ZINC001461083828 1067778325 /nfs/dbraw/zinc/77/83/25/1067778325.db2.gz BFTFJNBKDJPTMY-FQEVSTJZSA-N 0 3 457.334 4.939 20 0 JJADHN CN1CCN(Cc2cccc(NCc3csc(-c4cccc(Br)c4)n3)c2)CC1 ZINC001461098972 1067781704 /nfs/dbraw/zinc/78/17/04/1067781704.db2.gz ZQTMUJHBMXUPJD-UHFFFAOYSA-N 0 3 457.441 4.932 20 0 JJADHN O=S(=O)(CCCNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccccc1 ZINC001461168082 1067791965 /nfs/dbraw/zinc/79/19/65/1067791965.db2.gz NQTSFOOAIKYYMH-KRWDZBQOSA-N 0 3 455.420 4.512 20 0 JJADHN NC(=O)c1ccccc1N1CC[C@H](NCc2cc(F)ccc2Oc2ccc(Cl)c(F)c2)C1 ZINC001461181804 1067794325 /nfs/dbraw/zinc/79/43/25/1067794325.db2.gz QBBZSEADYQRQSJ-KRWDZBQOSA-N 0 3 457.908 4.878 20 0 JJADHN O=C1[C@H](NCc2cccc(OCc3ccccn3)c2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461209107 1067799818 /nfs/dbraw/zinc/79/98/18/1067799818.db2.gz KEDRUNUPQFJCIA-HSZRJFAPSA-N 0 3 453.489 4.547 20 0 JJADHN COc1cc(CN[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc(OC)c1OCC(F)F ZINC001461237886 1067807020 /nfs/dbraw/zinc/80/70/20/1067807020.db2.gz FSJYGNWVLYCLSD-NSPYISDASA-N 0 3 450.309 4.866 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461239581 1067807408 /nfs/dbraw/zinc/80/74/08/1067807408.db2.gz REYVNTCNJGJYDW-XCLFUZPHSA-N 0 3 452.755 4.947 20 0 JJADHN Cc1ccccc1O[C@@H](C)CNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001461244190 1067808383 /nfs/dbraw/zinc/80/83/83/1067808383.db2.gz NIQUVZLNNJVMPT-SFHVURJKSA-N 0 3 453.410 4.570 20 0 JJADHN CCNC(=O)N1CC[C@@H](NCc2ccc(OCc3ccccc3)cc2OCc2ccccc2)C1 ZINC001461279427 1067816626 /nfs/dbraw/zinc/81/66/26/1067816626.db2.gz CVGJJJQADXEMOR-RUZDIDTESA-N 0 3 459.590 4.738 20 0 JJADHN Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001461344409 1067834683 /nfs/dbraw/zinc/83/46/83/1067834683.db2.gz JDEWGRLGSJIYDM-UHFFFAOYSA-N 0 3 456.656 4.768 20 0 JJADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Br)cc(Br)c1 ZINC001461361068 1067838435 /nfs/dbraw/zinc/83/84/35/1067838435.db2.gz MJRLRXKLVRRKAZ-MJGOQNOKSA-N 0 3 464.201 4.968 20 0 JJADHN CCOCCOc1ccc(Br)cc1CN[C@H]1CCCN(c2ccccc2F)C1 ZINC001461402651 1067847121 /nfs/dbraw/zinc/84/71/21/1067847121.db2.gz KNJRZPIEGRZQPR-IBGZPJMESA-N 0 3 451.380 4.762 20 0 JJADHN CCOCCOc1ccc(Br)cc1CN[C@@H]1CCCN(c2ccccc2F)C1 ZINC001461402652 1067847210 /nfs/dbraw/zinc/84/72/10/1067847210.db2.gz KNJRZPIEGRZQPR-LJQANCHMSA-N 0 3 451.380 4.762 20 0 JJADHN COc1ccc(C[C@@H](C)CNCc2ncc(Br)cc2Br)cc1OC ZINC001461409887 1067848654 /nfs/dbraw/zinc/84/86/54/1067848654.db2.gz UPHARGAQLVGLAY-GFCCVEGCSA-N 0 3 458.194 4.592 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001461411169 1067849208 /nfs/dbraw/zinc/84/92/08/1067849208.db2.gz HLJLUUFKTCTURR-IBGZPJMESA-N 0 3 457.405 4.685 20 0 JJADHN CC(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001461421675 1067852891 /nfs/dbraw/zinc/85/28/91/1067852891.db2.gz YCAUSXFOSZIZQL-SFLYRZDNSA-N 0 3 453.631 4.899 20 0 JJADHN CCc1oc2ccccc2c1CNC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F ZINC001461454572 1067860936 /nfs/dbraw/zinc/86/09/36/1067860936.db2.gz GXOYQMPUZCXWBQ-FQEVSTJZSA-N 0 3 455.521 4.568 20 0 JJADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cn(-c2cccc(Br)c2)nc1C ZINC001461481913 1067871234 /nfs/dbraw/zinc/87/12/34/1067871234.db2.gz RQQBZRHYPLDZDT-OAHLLOKOSA-N 0 3 451.409 4.678 20 0 JJADHN COc1ccc(OC)c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)c1 ZINC001461623630 1067903598 /nfs/dbraw/zinc/90/35/98/1067903598.db2.gz BFXYMPMVRQLEFR-UNMCSNQZSA-N 0 3 474.573 4.734 20 0 JJADHN COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)c(F)c1OC ZINC001461628196 1067905265 /nfs/dbraw/zinc/90/52/65/1067905265.db2.gz QHARGKAAKXVTPY-WOJBJXKFSA-N 0 3 462.537 4.865 20 0 JJADHN CCCn1cc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OCC)cc2)c(C)n1 ZINC001461631193 1067906122 /nfs/dbraw/zinc/90/61/22/1067906122.db2.gz XGNYRZIZNHKEFR-ZEQRLZLVSA-N 0 3 456.631 4.883 20 0 JJADHN COCO[C@@H](C)c1cc(F)c(CNC[C@]2(C)COc3ccccc3O2)cc1Br ZINC001461663165 1067912894 /nfs/dbraw/zinc/91/28/94/1067912894.db2.gz WJUIUBLVPBYHBB-LHSJRXKWSA-N 0 3 454.336 4.589 20 0 JJADHN COCO[C@@H](C)c1cc(F)c(CNC[C@@]2(C)COc3ccccc3O2)cc1Br ZINC001461663174 1067913029 /nfs/dbraw/zinc/91/30/29/1067913029.db2.gz WJUIUBLVPBYHBB-QKKBWIMNSA-N 0 3 454.336 4.589 20 0 JJADHN CC(C)(C)OC(=O)N1CCc2c(CNCc3ccc(Cl)cc3-n3cncn3)cccc2C1 ZINC001461674431 1067915479 /nfs/dbraw/zinc/91/54/79/1067915479.db2.gz FIDIIVZOHWTJDV-UHFFFAOYSA-N 0 3 453.974 4.504 20 0 JJADHN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001461692660 1067919547 /nfs/dbraw/zinc/91/95/47/1067919547.db2.gz ZUGVCMFGSQNDSA-JCNLHEQBSA-N 0 3 453.414 4.940 20 0 JJADHN Cc1cc(NC(=O)CCCN2CCN(c3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C ZINC001461767048 1067933026 /nfs/dbraw/zinc/93/30/26/1067933026.db2.gz AAZKYVYRKMINMI-UHFFFAOYSA-N 0 3 452.599 4.883 20 0 JJADHN Brc1cnc2n1C[C@H](NCc1ccc(-c3cccc(Br)c3)o1)CC2 ZINC001461820491 1067941735 /nfs/dbraw/zinc/94/17/35/1067941735.db2.gz VYPXQNPRVRMAIJ-CQSZACIVSA-N 0 3 451.162 4.773 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1[C@H](CNCc1cc2ccccc2n(C)c1=O)C(F)(F)F ZINC001461821521 1067942098 /nfs/dbraw/zinc/94/20/98/1067942098.db2.gz RUFHDTLICZNUNM-NRFANRHFSA-N 0 3 454.496 4.777 20 0 JJADHN COc1cc(CNCc2ccc(NC(=O)OC(C)(C)C)cc2)cc(OC)c1OCC(F)F ZINC001461823440 1067942142 /nfs/dbraw/zinc/94/21/42/1067942142.db2.gz CQJHNKAOOVYDRY-UHFFFAOYSA-N 0 3 452.498 4.985 20 0 JJADHN COc1cccc(OC)c1OC1CCN(Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC001461891121 1067955823 /nfs/dbraw/zinc/95/58/23/1067955823.db2.gz BEOYJYHPUJFKBF-UHFFFAOYSA-N 0 3 456.583 4.772 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894323 1067956297 /nfs/dbraw/zinc/95/62/97/1067956297.db2.gz CUVMJVUPNXKWTN-XMMPIXPASA-N 0 3 450.023 4.525 20 0 JJADHN CN(C[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)C1)C(=O)OC(C)(C)C ZINC001461902411 1067958404 /nfs/dbraw/zinc/95/84/04/1067958404.db2.gz NVEFIIVNXPOSLT-ZDUSSCGKSA-N 0 3 455.422 4.590 20 0 JJADHN COC(=O)[C@@H](C)Oc1ccccc1CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC001461929609 1067962737 /nfs/dbraw/zinc/96/27/37/1067962737.db2.gz XJSGCKGZICPSBR-UXHICEINSA-N 0 3 455.599 4.902 20 0 JJADHN COc1cc(OC)cc(N2CC[C@H](N(C)CC(Cc3ccccc3)Cc3ccccc3)C2=O)c1 ZINC001461968062 1067971524 /nfs/dbraw/zinc/97/15/24/1067971524.db2.gz NMYJVVYMJNPFAM-NDEPHWFRSA-N 0 3 458.602 4.843 20 0 JJADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN(Cc3ccccc3)[C@H](CO)C3CC3)o2)CC1 ZINC001462050171 1067990658 /nfs/dbraw/zinc/99/06/58/1067990658.db2.gz LODDLQLBTLQKMT-XMMPIXPASA-N 0 3 454.611 4.611 20 0 JJADHN Cc1cc(Br)cn2cc(CNC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nc12 ZINC001462066192 1067995262 /nfs/dbraw/zinc/99/52/62/1067995262.db2.gz SHBCJOJXMFWCJG-CVEARBPZSA-N 0 3 451.409 4.530 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CC(N[C@@H](CCO)c3ccccc3Br)C2)CC1 ZINC001462084067 1067998144 /nfs/dbraw/zinc/99/81/44/1067998144.db2.gz KHEXHKDWJCIKFY-IBGZPJMESA-N 0 3 453.421 4.642 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)OCc2ccc(C)cc2)cc1 ZINC001462113193 1068006935 /nfs/dbraw/zinc/00/69/35/1068006935.db2.gz WVJMGKYRLFWYHH-KKVCJECGSA-N 0 3 458.602 4.693 20 0 JJADHN C[C@@H](COc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001462153817 1068017662 /nfs/dbraw/zinc/01/76/62/1068017662.db2.gz DJJOTCSNXYCLIE-SGTLLEGYSA-N 0 3 458.183 4.918 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC001462284230 1068043619 /nfs/dbraw/zinc/04/36/19/1068043619.db2.gz QAPCKAZCGQHMMP-DEOSSOPVSA-N 0 3 454.412 4.760 20 0 JJADHN Cc1cc(Cl)ccc1N(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCO[C@@H]1C ZINC001462297486 1068046572 /nfs/dbraw/zinc/04/65/72/1068046572.db2.gz OROQWAJVMUIWAH-BWKNWUBXSA-N 0 3 456.030 4.761 20 0 JJADHN CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001462310549 1068048844 /nfs/dbraw/zinc/04/88/44/1068048844.db2.gz BZTVOOMIYRWZST-SIKLNZKXSA-N 0 3 454.558 4.615 20 0 JJADHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001462337842 1068054207 /nfs/dbraw/zinc/05/42/07/1068054207.db2.gz WWENPQGORJDCNQ-QGZVFWFLSA-N 0 3 455.401 4.907 20 0 JJADHN CC(C)(C)OC(=O)[C@@H]1CN(C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 ZINC001462380194 1068063553 /nfs/dbraw/zinc/06/35/53/1068063553.db2.gz GAVHWWDWTMXSKX-HSALFYBXSA-N 0 3 466.569 4.688 20 0 JJADHN COc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398368 1068065594 /nfs/dbraw/zinc/06/55/94/1068065594.db2.gz AMOAKTSIHLGOAO-SAWYMBPVSA-N 0 3 454.567 4.581 20 0 JJADHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001462400339 1068066149 /nfs/dbraw/zinc/06/61/49/1068066149.db2.gz XTLPIYRMDYNXDU-PGRDOPGGSA-N 0 3 459.631 4.857 20 0 JJADHN CN(C)CCN1CCN(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2Cl)CC1=O ZINC001462409491 1068067532 /nfs/dbraw/zinc/06/75/32/1068067532.db2.gz JKOXAJDSAIQLTE-UHFFFAOYSA-N 0 3 456.801 4.645 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccc(Br)c3)C2)C1 ZINC001462409581 1068067595 /nfs/dbraw/zinc/06/75/95/1068067595.db2.gz VKDUKHSYTRQZGT-DFQSSKMNSA-N 0 3 453.421 4.733 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc(CN2CCC(NC(=O)OCc3ccccc3)CC2)c1 ZINC001462516424 1068089520 /nfs/dbraw/zinc/08/95/20/1068089520.db2.gz QRXIBPSFFUCDIF-UHFFFAOYSA-N 0 3 453.583 4.602 20 0 JJADHN Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524032 1068091306 /nfs/dbraw/zinc/09/13/06/1068091306.db2.gz RISJHILSOBSSNW-HSZRJFAPSA-N 0 3 453.627 4.510 20 0 JJADHN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@]2(C)C1 ZINC001462573655 1068100952 /nfs/dbraw/zinc/10/09/52/1068100952.db2.gz JYJBLYDVYMEJHZ-PGRDOPGGSA-N 0 3 450.505 4.784 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]2C1 ZINC001462623270 1068115009 /nfs/dbraw/zinc/11/50/09/1068115009.db2.gz LKYWWUXHLSBVFI-WOJBJXKFSA-N 0 3 464.532 4.639 20 0 JJADHN Cc1nn(-c2ccccn2)c(C)c1CN1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001462657161 1068125930 /nfs/dbraw/zinc/12/59/30/1068125930.db2.gz XOQWAMDQECDRFD-HSZRJFAPSA-N 0 3 453.631 4.742 20 0 JJADHN CN(C)Cc1ccc(NC(=O)COCCc2ccc(Br)cc2)cc1C(F)(F)F ZINC001462730064 1068146435 /nfs/dbraw/zinc/14/64/35/1068146435.db2.gz PMLNPZVOWFTSRV-UHFFFAOYSA-N 0 3 459.306 4.727 20 0 JJADHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1c(C)sc(C)c1Br ZINC001462947899 1068225068 /nfs/dbraw/zinc/22/50/68/1068225068.db2.gz UZDOBBHZNLHNKN-UHFFFAOYSA-N 0 3 459.475 4.660 20 0 JJADHN COc1ccc(Oc2ccc(S(=O)(=O)NCC(C)(C)N[C@H](C)c3ccccc3)cc2)cc1 ZINC001463017403 1068253305 /nfs/dbraw/zinc/25/33/05/1068253305.db2.gz MBKVJSWDMKMTDS-LJQANCHMSA-N 0 3 454.592 4.895 20 0 JJADHN CCN(C)c1ccccc1CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463046728 1068264519 /nfs/dbraw/zinc/26/45/19/1068264519.db2.gz GXYWOGCNWSRYDF-XTEPFMGCSA-N 0 3 477.674 4.539 20 0 JJADHN CCS[C@H]1CCCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062844 1068271736 /nfs/dbraw/zinc/27/17/36/1068271736.db2.gz FZUDSKXRRXOBLK-KKUQBAQOSA-N 0 3 472.720 4.900 20 0 JJADHN CCCOc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)cc1C(C)(C)C ZINC001463186040 1068313474 /nfs/dbraw/zinc/31/34/74/1068313474.db2.gz KQLSTAVKJIELPT-JOCHJYFZSA-N 0 3 458.668 4.916 20 0 JJADHN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC001463277041 1068341524 /nfs/dbraw/zinc/34/15/24/1068341524.db2.gz DKGQKMMJAWPFMH-ISKFKSNPSA-N 0 3 454.636 4.591 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC001463562009 1068444165 /nfs/dbraw/zinc/44/41/65/1068444165.db2.gz GQFBLHCNMMFALK-VGSWGCGISA-N 0 3 450.501 4.726 20 0 JJADHN COc1ccc([C@H](CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)N2CCCC2)cc1 ZINC001463567059 1068448263 /nfs/dbraw/zinc/44/82/63/1068448263.db2.gz QQKYZDFXHSQWQM-QHCPKHFHSA-N 0 3 453.583 4.538 20 0 JJADHN CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)C2=O)cc1 ZINC001463573388 1068451728 /nfs/dbraw/zinc/45/17/28/1068451728.db2.gz OAFCEYJKQBEQPN-GOTSBHOMSA-N 0 3 453.652 4.814 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)CC(C)(C)CC(=O)c3ccc(OC)cc3)c(C)c2)CC1 ZINC001463707869 1068501111 /nfs/dbraw/zinc/50/11/11/1068501111.db2.gz PBOZNBIHTUKDMM-UHFFFAOYSA-N 0 3 451.611 4.773 20 0 JJADHN CCOc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H]2C2CCN(Cc3ccccc3)CC2)cc1C ZINC001463743895 1068510253 /nfs/dbraw/zinc/51/02/53/1068510253.db2.gz COZZPZCPHJQPIL-VWLOTQADSA-N 0 3 456.652 4.705 20 0 JJADHN O=C(N[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1)OCc1ccccc1 ZINC001463759236 1068514770 /nfs/dbraw/zinc/51/47/70/1068514770.db2.gz BZGADPMHSIDWAB-CLJLJLNGSA-N 0 3 457.574 4.607 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2Br)N(C)C)cc1 ZINC001463760391 1068515484 /nfs/dbraw/zinc/51/54/84/1068515484.db2.gz HBJIRHMSSDBBLP-OAQYLSRUSA-N 0 3 455.396 4.963 20 0 JJADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(OC(F)(F)F)cc1Br ZINC001463761326 1068515885 /nfs/dbraw/zinc/51/58/85/1068515885.db2.gz HKJUDOFBDAGDTK-SFHVURJKSA-N 0 3 457.290 4.915 20 0 JJADHN CN(C)[C@H](CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770388 1068519301 /nfs/dbraw/zinc/51/93/01/1068519301.db2.gz MMDJDWKUZKSSSL-XZOQPEGZSA-N 0 3 453.627 4.568 20 0 JJADHN Cc1cccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 ZINC001463968279 1068577888 /nfs/dbraw/zinc/57/78/88/1068577888.db2.gz LXTMGCLLOMLLSQ-UHFFFAOYSA-N 0 3 451.611 4.561 20 0 JJADHN Cc1sc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1-c1ccc(F)cc1 ZINC001464100675 1068615423 /nfs/dbraw/zinc/61/54/23/1068615423.db2.gz VQIJJEWNANEUKY-XMMPIXPASA-N 0 3 451.611 4.971 20 0 JJADHN Cc1ccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1C(F)(F)F ZINC001464163100 1068639100 /nfs/dbraw/zinc/63/91/00/1068639100.db2.gz IKLAXKANTKDDHL-IBGZPJMESA-N 0 3 452.542 4.594 20 0 JJADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001464281089 1068689363 /nfs/dbraw/zinc/68/93/63/1068689363.db2.gz KWNGEBBKMDATRZ-UPVQGACJSA-N 0 3 458.021 4.687 20 0 JJADHN CN1CCN(c2ccncc2NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001464383035 1068726318 /nfs/dbraw/zinc/72/63/18/1068726318.db2.gz IPVQBRFIIKIBGG-UHFFFAOYSA-N 0 3 452.643 4.705 20 0 JJADHN CC1CCN([C@H](CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c2ccccc2)CC1 ZINC001464403287 1068734122 /nfs/dbraw/zinc/73/41/22/1068734122.db2.gz RSSHNVTXVFEEMJ-JOCHJYFZSA-N 0 3 454.521 4.881 20 0 JJADHN CC1CCN([C@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)CC1 ZINC001464404666 1068734706 /nfs/dbraw/zinc/73/47/06/1068734706.db2.gz WQEWHYQIVRXPII-HHHXNRCGSA-N 0 3 456.586 4.886 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)C1CCCCC1 ZINC001464667858 1068818055 /nfs/dbraw/zinc/81/80/55/1068818055.db2.gz OPXTUHLOKPPYOV-XMMPIXPASA-N 0 3 457.659 4.627 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)CC2)CC1 ZINC001164614920 719023490 /nfs/dbraw/zinc/02/34/90/719023490.db2.gz ZXWPGZYVTUKGEM-UHFFFAOYSA-N 0 3 487.378 4.725 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)CC2)CC1 ZINC001164613937 719024891 /nfs/dbraw/zinc/02/48/91/719024891.db2.gz KGHQKZMZFVRAPB-UHFFFAOYSA-N 0 3 487.378 4.725 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)CC2)CC1 ZINC001164618387 719031550 /nfs/dbraw/zinc/03/15/50/719031550.db2.gz VPABDSLXIIJLBT-UHFFFAOYSA-N 0 3 470.775 4.831 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC2)CC1 ZINC001164618533 719034040 /nfs/dbraw/zinc/03/40/40/719034040.db2.gz ULUOWDUSFWKETE-UHFFFAOYSA-N 0 3 469.882 4.543 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)CC2)CC1 ZINC001164617193 719036229 /nfs/dbraw/zinc/03/62/29/719036229.db2.gz JPCGKPXQCFIYGS-UHFFFAOYSA-N 0 3 496.961 4.725 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630152 719095413 /nfs/dbraw/zinc/09/54/13/719095413.db2.gz VPVMXYCMZBVLMK-WOJBJXKFSA-N 0 3 455.940 4.838 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)c2c1CCNC2 ZINC001164680596 719645360 /nfs/dbraw/zinc/64/53/60/719645360.db2.gz XQBCIEATVIZBQY-UHFFFAOYSA-N 0 3 463.935 4.821 20 0 JJADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730923 720434802 /nfs/dbraw/zinc/43/48/02/720434802.db2.gz JUBFXCZRUVUPTN-FCHUYYIVSA-N 0 3 468.630 4.880 20 0 JJADHN CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCN4Cc2cccnc2)n1)CCCC3 ZINC001164734814 720439065 /nfs/dbraw/zinc/43/90/65/720439065.db2.gz UWDROGNGWYYASM-OALUTQOASA-N 0 3 451.665 4.681 20 0 JJADHN FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838822 720739257 /nfs/dbraw/zinc/73/92/57/720739257.db2.gz YDTGMRQTTRFSQY-UHFFFAOYSA-N 0 3 483.350 4.610 20 0 JJADHN COc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)c(Cl)nn2)c1 ZINC001164845209 720740960 /nfs/dbraw/zinc/74/09/60/720740960.db2.gz XDUBLKLCTIQFHA-UHFFFAOYSA-N 0 3 488.970 4.599 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856305 721003915 /nfs/dbraw/zinc/00/39/15/721003915.db2.gz AXGLTFHVVWHFBP-LJQANCHMSA-N 0 3 481.714 4.912 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763381 721153713 /nfs/dbraw/zinc/15/37/13/721153713.db2.gz FJEJLZFHFIZNQR-UXHICEINSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc5cc(OCc6ccccc6)ccc5n4)C[C@H]3C2)cn1 ZINC001164769075 721156151 /nfs/dbraw/zinc/15/61/51/721156151.db2.gz PHYMBTHHVFFANH-LOSJGSFVSA-N 0 3 453.590 4.506 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164773668 721157062 /nfs/dbraw/zinc/15/70/62/721157062.db2.gz YNYYZERBUJXQOM-RTWAWAEBSA-N 0 3 458.997 4.642 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164876368 721162189 /nfs/dbraw/zinc/16/21/89/721162189.db2.gz LVUDVJZOHIXLLY-SXOMAYOGSA-N 0 3 463.585 4.685 20 0 JJADHN c1ccc(Oc2ccc(-c3ccc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164881092 721171413 /nfs/dbraw/zinc/17/14/13/721171413.db2.gz ZAAVGBHCQKQJOO-RPLLCQBOSA-N 0 3 479.584 4.811 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(-c6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761326 721218243 /nfs/dbraw/zinc/21/82/43/721218243.db2.gz AMAYJGBDJOTCEO-UIOOFZCWSA-N 0 3 450.590 4.502 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@@H]3C2)cn1 ZINC001164763269 721220812 /nfs/dbraw/zinc/22/08/12/721220812.db2.gz FBKLSJTUVXMNJQ-YADHBBJMSA-N 0 3 470.646 4.928 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(Oc6ccccc6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164762579 721226440 /nfs/dbraw/zinc/22/64/40/721226440.db2.gz LFIBMMZJXMRNFL-RPWUZVMVSA-N 0 3 466.589 4.628 20 0 JJADHN COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@@H](CN1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898358 721434736 /nfs/dbraw/zinc/43/47/36/721434736.db2.gz VTJKIZXKHANZFB-SETSBSEESA-N 0 3 486.660 4.676 20 0 JJADHN Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898772 721442540 /nfs/dbraw/zinc/44/25/40/721442540.db2.gz WYGPKPUVXONFHF-QCENPCRXSA-N 0 3 497.687 4.884 20 0 JJADHN Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164898770 721443006 /nfs/dbraw/zinc/44/30/06/721443006.db2.gz WYGPKPUVXONFHF-MVSFAKPFSA-N 0 3 497.687 4.884 20 0 JJADHN FC1(F)CCN(c2cccc(OCc3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907285 721717950 /nfs/dbraw/zinc/71/79/50/721717950.db2.gz QKWOMYXQSVBGRW-VWLOTQADSA-N 0 3 450.533 4.793 20 0 JJADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906479 721720269 /nfs/dbraw/zinc/72/02/69/721720269.db2.gz MHYNGSUQWOQNKB-JOCHJYFZSA-N 0 3 460.960 4.798 20 0 JJADHN Cc1cc(-c2cccc(F)c2)nnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911783 721735606 /nfs/dbraw/zinc/73/56/06/721735606.db2.gz KJDUGVMXDBTXFX-DEOSSOPVSA-N 0 3 453.512 4.724 20 0 JJADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164980445 722125835 /nfs/dbraw/zinc/12/58/35/722125835.db2.gz REWDLKSZGNYJJL-AJTFRIOCSA-N 0 3 483.591 4.867 20 0 JJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975193 722131018 /nfs/dbraw/zinc/13/10/18/722131018.db2.gz FKCAVJHFHPOTAZ-UGKGYDQZSA-N 0 3 458.940 4.555 20 0 JJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164973215 722141525 /nfs/dbraw/zinc/14/15/25/722141525.db2.gz BNVAKLATDQXLAJ-CTNGQTDRSA-N 0 3 477.659 4.851 20 0 JJADHN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976032 722143420 /nfs/dbraw/zinc/14/34/20/722143420.db2.gz GRIIOCHNLCRHOA-FXAWDEMLSA-N 0 3 491.995 4.526 20 0 JJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)s1 ZINC001164984258 722145986 /nfs/dbraw/zinc/14/59/86/722145986.db2.gz XATMAUYURSOCBL-ZJSXRUAMSA-N 0 3 471.630 4.789 20 0 JJADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984950 722147273 /nfs/dbraw/zinc/14/72/73/722147273.db2.gz YLOFOTDLRQEFJS-UKILVPOCSA-N 0 3 483.641 4.994 20 0 JJADHN CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973980 722155663 /nfs/dbraw/zinc/15/56/63/722155663.db2.gz NUYBPVHSNNGFMV-QPPBQGQZSA-N 0 3 480.012 4.607 20 0 JJADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850853 1064261643 /nfs/dbraw/zinc/26/16/43/1064261643.db2.gz SAXUWBMZFTZMMJ-PXDATVDWSA-N 0 3 450.966 4.745 20 0 JJADHN CC(C)c1nnc(N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)n1CCN1CC=CCC1 ZINC001359715931 1064264780 /nfs/dbraw/zinc/26/47/80/1064264780.db2.gz PRCDTAGYZCEDLF-UHFFFAOYSA-N 0 3 482.982 4.662 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1OCC ZINC001545865093 1064272579 /nfs/dbraw/zinc/27/25/79/1064272579.db2.gz OBVGETIBECQPBY-IBGZPJMESA-N 0 3 452.595 4.517 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879864 1064295392 /nfs/dbraw/zinc/29/53/92/1064295392.db2.gz IHYICXYBOLBHOV-HXUWFJFHSA-N 0 3 453.583 4.705 20 0 JJADHN CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001359737807 1064300320 /nfs/dbraw/zinc/30/03/20/1064300320.db2.gz GVKRVIVRMGZNHY-RUZDIDTESA-N 0 3 496.744 4.805 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001545884963 1064302036 /nfs/dbraw/zinc/30/20/36/1064302036.db2.gz JJIOCCRQPLJKQE-XMMPIXPASA-N 0 3 480.701 4.968 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001435064360 1064483485 /nfs/dbraw/zinc/48/34/85/1064483485.db2.gz NZKUMEHPWJYRRW-LJQANCHMSA-N 0 3 452.039 4.658 20 0 JJADHN CN(C)c1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cc(Cl)n1 ZINC001435067616 1064488385 /nfs/dbraw/zinc/48/83/85/1064488385.db2.gz WROAEPHAYRBZKY-UHFFFAOYSA-N 0 3 455.817 4.846 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001359832702 1064516389 /nfs/dbraw/zinc/51/63/89/1064516389.db2.gz NSBZBFGRKBOLTI-LEWJYISDSA-N 0 3 489.590 4.836 20 0 JJADHN CCCCc1ccc(N2C[C@@H](C(=O)N(CCN(C)C)Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001359851219 1064538516 /nfs/dbraw/zinc/53/85/16/1064538516.db2.gz HXYQFRDKGRTHOG-QFIPXVFZSA-N 0 3 456.030 4.626 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001359859515 1064548244 /nfs/dbraw/zinc/54/82/44/1064548244.db2.gz DTCAYARBKPZTGJ-UHFFFAOYSA-N 0 3 496.622 4.614 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CCN2CC=CCC2)cc1 ZINC001359951214 1064708665 /nfs/dbraw/zinc/70/86/65/1064708665.db2.gz UFYRTSJNDCPCSE-QFIPXVFZSA-N 0 3 455.672 4.574 20 0 JJADHN CN(C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC001435517526 1064800992 /nfs/dbraw/zinc/80/09/92/1064800992.db2.gz GNNSDHFGYQRSIX-FQEVSTJZSA-N 0 3 458.002 4.962 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001360015044 1064813918 /nfs/dbraw/zinc/81/39/18/1064813918.db2.gz MSPARZVHBFBOBT-YLJYHZDGSA-N 0 3 464.427 4.624 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCC(F)(F)F)CC1 ZINC001360017032 1064816235 /nfs/dbraw/zinc/81/62/35/1064816235.db2.gz BCRUSDDVHRQDPP-UHFFFAOYSA-N 0 3 480.398 4.890 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360018083 1064819303 /nfs/dbraw/zinc/81/93/03/1064819303.db2.gz MIWHFNQSMBAXRY-ROUUACIJSA-N 0 3 496.519 4.752 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(C)CCCO2)CC1 ZINC001360018358 1064819495 /nfs/dbraw/zinc/81/94/95/1064819495.db2.gz NYEAHDIALUCDSC-QFIPXVFZSA-N 0 3 496.881 4.708 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCc2ccccc2F)CC1 ZINC001360018105 1064819547 /nfs/dbraw/zinc/81/95/47/1064819547.db2.gz MOAHLPIBXVEVBC-UHFFFAOYSA-N 0 3 492.462 4.929 20 0 JJADHN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCN(C)C)Cc3ccccc3F)cc12 ZINC001360019194 1064821913 /nfs/dbraw/zinc/82/19/13/1064821913.db2.gz FWIGEOUWZCNKLO-UHFFFAOYSA-N 0 3 450.583 4.798 20 0 JJADHN Cn1cnc(-c2ccc(C(=O)N(CCN3CCCC3)Cc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC001360028283 1064830484 /nfs/dbraw/zinc/83/04/84/1064830484.db2.gz AIGVBJUICCUNCV-UHFFFAOYSA-N 0 3 458.393 4.527 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001360031369 1064833735 /nfs/dbraw/zinc/83/37/35/1064833735.db2.gz FRMIGRTVQNDVDK-UHFFFAOYSA-N 0 3 467.702 4.825 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001360031517 1064833786 /nfs/dbraw/zinc/83/37/86/1064833786.db2.gz JUUVFGWXPDCVGC-ILBGXUMGSA-N 0 3 497.728 4.907 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001360032773 1064835288 /nfs/dbraw/zinc/83/52/88/1064835288.db2.gz YJBGMKXERYSZLT-NRFANRHFSA-N 0 3 461.601 4.503 20 0 JJADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCSc1ccc(Br)cc1 ZINC001360033010 1064835359 /nfs/dbraw/zinc/83/53/59/1064835359.db2.gz VQYAHJNSACBSFN-UHFFFAOYSA-N 0 3 457.384 4.800 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001360033913 1064837088 /nfs/dbraw/zinc/83/70/88/1064837088.db2.gz NBGWEUHCAIIKKX-UHFFFAOYSA-N 0 3 497.562 4.903 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC2CCCC2)CC1 ZINC001360033815 1064837322 /nfs/dbraw/zinc/83/73/22/1064837322.db2.gz LMVGEVXKULJXIX-ZRZAMGCNSA-N 0 3 488.721 4.797 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600841 1064864844 /nfs/dbraw/zinc/86/48/44/1064864844.db2.gz NHUIORQBUXBFBS-FQEVSTJZSA-N 0 3 453.384 4.962 20 0 JJADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)c(C)c1 ZINC001435600844 1064865013 /nfs/dbraw/zinc/86/50/13/1064865013.db2.gz NHUIORQBUXBFBS-HXUWFJFHSA-N 0 3 453.384 4.962 20 0 JJADHN CC(C)COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001360050602 1064876035 /nfs/dbraw/zinc/87/60/35/1064876035.db2.gz XMJNPQYWWRPRJM-UHFFFAOYSA-N 0 3 490.696 4.905 20 0 JJADHN COc1cccc(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)c1OC(F)F ZINC001435614004 1064876636 /nfs/dbraw/zinc/87/66/36/1064876636.db2.gz QADNVOPSXNCEMA-GOSISDBHSA-N 0 3 456.493 4.501 20 0 JJADHN Cc1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c(C)cc1Br ZINC001435616530 1064878520 /nfs/dbraw/zinc/87/85/20/1064878520.db2.gz DLRDGZPIISLJAO-IBGZPJMESA-N 0 3 453.384 4.962 20 0 JJADHN CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)C1 ZINC001360067351 1064912143 /nfs/dbraw/zinc/91/21/43/1064912143.db2.gz VVVFYSVANPDKIP-HXUWFJFHSA-N 0 3 496.483 4.901 20 0 JJADHN CC(C)CSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360083407 1064945447 /nfs/dbraw/zinc/94/54/47/1064945447.db2.gz GATSVMDPDXERQU-UHFFFAOYSA-N 0 3 454.688 4.747 20 0 JJADHN CC(C)CSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 ZINC001360086533 1064951010 /nfs/dbraw/zinc/95/10/10/1064951010.db2.gz AKHXNTDBHDIELU-UHFFFAOYSA-N 0 3 454.688 4.517 20 0 JJADHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4Cl)n3)cc2)CC1 ZINC001435727712 1064959573 /nfs/dbraw/zinc/95/95/73/1064959573.db2.gz LXFJNVOSJZBXEB-UHFFFAOYSA-N 0 3 458.393 4.962 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC001435729142 1064960709 /nfs/dbraw/zinc/96/07/09/1064960709.db2.gz MCQHNEZBBYHRLU-UHFFFAOYSA-N 0 3 458.393 4.720 20 0 JJADHN Cc1cc2c(cc1Br)N(C(=O)c1ccc(N3CCN(C(C)C)CC3)cc1)CCC2 ZINC001435739837 1064966323 /nfs/dbraw/zinc/96/63/23/1064966323.db2.gz NCDRBXSPQXJZCI-UHFFFAOYSA-N 0 3 456.428 4.881 20 0 JJADHN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC001435855801 1065027278 /nfs/dbraw/zinc/02/72/78/1065027278.db2.gz PHXICKXWGYHDMV-MFSJNOQSSA-N 0 3 458.549 4.817 20 0 JJADHN O=C(NCCc1ccc(Br)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001360134089 1065030149 /nfs/dbraw/zinc/03/01/49/1065030149.db2.gz JGWDLYFXOURWGC-FQEVSTJZSA-N 0 3 455.318 4.562 20 0 JJADHN CC(C)OCCCCn1c(-c2ccccc2Br)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360379467 1065240396 /nfs/dbraw/zinc/24/03/96/1065240396.db2.gz YDXPDJQBJYFWDY-UHFFFAOYSA-N 0 3 478.479 4.833 20 0 JJADHN CCCN(C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)c1ccc(Cl)cc1 ZINC001436201169 1065247300 /nfs/dbraw/zinc/24/73/00/1065247300.db2.gz JECSVWKXGPXZQC-HKBOAZHASA-N 0 3 480.834 4.774 20 0 JJADHN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001360387122 1065251877 /nfs/dbraw/zinc/25/18/77/1065251877.db2.gz AEZFXPNEFPEIAT-ZEQRLZLVSA-N 0 3 453.652 4.749 20 0 JJADHN Cc1cc(Cl)cc(Br)c1OC(=O)[C@@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1 ZINC001436233821 1065270296 /nfs/dbraw/zinc/27/02/96/1065270296.db2.gz GDOXLPKIYJZSKT-IAGOWNOFSA-N 0 3 454.796 4.564 20 0 JJADHN COCCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)c(Cl)c1 ZINC001436255958 1065276814 /nfs/dbraw/zinc/27/68/14/1065276814.db2.gz WIKUQGYWQPWHPE-UHFFFAOYSA-N 0 3 453.366 4.744 20 0 JJADHN CC(C)SCCn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001360417048 1065280851 /nfs/dbraw/zinc/28/08/51/1065280851.db2.gz QCVNBTNSARJGNY-UHFFFAOYSA-N 0 3 488.105 4.537 20 0 JJADHN CC(=O)N[C@@H](CC(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C)c1cccs1 ZINC001436435752 1065318928 /nfs/dbraw/zinc/31/89/28/1065318928.db2.gz YYEIWUPWKHWJRD-ZEQRLZLVSA-N 0 3 455.668 4.507 20 0 JJADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cccnc2)n1C[C@H](c1cccs1)N(C)C ZINC001360440493 1065324452 /nfs/dbraw/zinc/32/44/52/1065324452.db2.gz SMUJLOYENSBOOX-MVJGVESJSA-N 0 3 494.690 4.639 20 0 JJADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001436502250 1065336183 /nfs/dbraw/zinc/33/61/83/1065336183.db2.gz RINWEBVWOVZERU-MRXNPFEDSA-N 0 3 458.331 4.766 20 0 JJADHN CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC=CC1 ZINC001436631801 1065408236 /nfs/dbraw/zinc/40/82/36/1065408236.db2.gz NOIZTSOLLHHTKR-BJKOFHAPSA-N 0 3 464.581 4.588 20 0 JJADHN Cc1nn(-c2ccc(C(=O)NC[C@H](C)N(C)Cc3ccccc3)cc2)c(C)c1Br ZINC001360511714 1065457324 /nfs/dbraw/zinc/45/73/24/1065457324.db2.gz UHAYHBAHTDYQDK-INIZCTEOSA-N 0 3 455.400 4.502 20 0 JJADHN C[C@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)N(C)C)c1nccs1 ZINC001360526417 1065504842 /nfs/dbraw/zinc/50/48/42/1065504842.db2.gz LGSWIFIEYZNVHA-NQIIRXRSSA-N 0 3 466.680 4.930 20 0 JJADHN C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)N(C)C)c1nccs1 ZINC001360526416 1065504895 /nfs/dbraw/zinc/50/48/95/1065504895.db2.gz LGSWIFIEYZNVHA-GHTZIAJQSA-N 0 3 466.680 4.930 20 0 JJADHN C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)N1CCc2ccccc2C1 ZINC001360542627 1065532071 /nfs/dbraw/zinc/53/20/71/1065532071.db2.gz ZVEJPWJZTLTWDM-INIZCTEOSA-N 0 3 460.960 4.532 20 0 JJADHN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001437380516 1065545330 /nfs/dbraw/zinc/54/53/30/1065545330.db2.gz FBOQXDYFSVYUTB-JOCHJYFZSA-N 0 3 453.627 4.541 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](SC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001545907394 1065565498 /nfs/dbraw/zinc/56/54/98/1065565498.db2.gz HSVGUSKVHHLWJB-RPWUZVMVSA-N 0 3 498.741 4.583 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C(F)(F)c2ccccc2C)cc1 ZINC001438331932 1065710470 /nfs/dbraw/zinc/71/04/70/1065710470.db2.gz JYGXTELEXZABEC-UKILVPOCSA-N 0 3 450.529 4.880 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)cc1)[C@H]1CCCN(C)C1 ZINC001360658706 1065727824 /nfs/dbraw/zinc/72/78/24/1065727824.db2.gz OAQRNNLEMHBARL-VOCYLRNQSA-N 0 3 451.514 4.585 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)cc1)[C@H]1CCCN(C)C1 ZINC001360658703 1065727970 /nfs/dbraw/zinc/72/79/70/1065727970.db2.gz OAQRNNLEMHBARL-HKMNZKMDSA-N 0 3 451.514 4.585 20 0 JJADHN CCc1cc2c(CC(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)csc2s1 ZINC001360658270 1065728008 /nfs/dbraw/zinc/72/80/08/1065728008.db2.gz JRMAZWUFZACEAQ-LJQANCHMSA-N 0 3 455.649 4.873 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN1CCCCC1 ZINC001360746136 1065787455 /nfs/dbraw/zinc/78/74/55/1065787455.db2.gz UBQKBCIGPHDHRU-NZQKXSOJSA-N 0 3 473.637 4.827 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCCOc2ccccc2)cc1 ZINC001360748274 1065789904 /nfs/dbraw/zinc/78/99/04/1065789904.db2.gz UZJHNFZHXXEWJU-DEOSSOPVSA-N 0 3 458.602 4.810 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1C(F)(F)F ZINC001439225499 1065801544 /nfs/dbraw/zinc/80/15/44/1065801544.db2.gz PGYLIBNLYBENJV-UHFFFAOYSA-N 0 3 457.880 4.626 20 0 JJADHN COC(=O)c1cc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)ccc1SC ZINC001439397632 1065824191 /nfs/dbraw/zinc/82/41/91/1065824191.db2.gz FZUBOBWVFYHARK-OAQYLSRUSA-N 0 3 452.498 4.588 20 0 JJADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2cccc(-c3cccc(Br)c3)c2)cn1 ZINC001439601971 1065847101 /nfs/dbraw/zinc/84/71/01/1065847101.db2.gz WHVBABQOCUBHMY-YADHBBJMSA-N 0 3 453.384 4.524 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN1CCCCC1 ZINC001360765352 1065849927 /nfs/dbraw/zinc/84/99/27/1065849927.db2.gz PSYYUQFGJSKYME-GOSISDBHSA-N 0 3 472.996 4.728 20 0 JJADHN Cc1ccc(Br)nc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439817671 1065881291 /nfs/dbraw/zinc/88/12/91/1065881291.db2.gz FVFLHLQLUAFSHD-LEWJYISDSA-N 0 3 450.380 4.551 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001440539875 1065948507 /nfs/dbraw/zinc/94/85/07/1065948507.db2.gz QZERYSAAKRZODV-DNVCBOLYSA-N 0 3 451.792 4.823 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)c(C)c2)CC1 ZINC001440612251 1065954296 /nfs/dbraw/zinc/95/42/96/1065954296.db2.gz GUDRMIFJUNJFFR-QHCPKHFHSA-N 0 3 458.647 4.549 20 0 JJADHN CN(C)[C@@H](CNC(=O)c1ccc(COc2ccc(Br)cc2)o1)Cc1ccccc1 ZINC001440665642 1065961000 /nfs/dbraw/zinc/96/10/00/1065961000.db2.gz IKQZVHPKJMFYJQ-LJQANCHMSA-N 0 3 457.368 4.524 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001440709995 1065969529 /nfs/dbraw/zinc/96/95/29/1065969529.db2.gz ZZKLCKIHRHFLJD-HXUWFJFHSA-N 0 3 457.405 4.729 20 0 JJADHN Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H](c2ccco2)N2CCCC2)c1C ZINC001360862347 1065980732 /nfs/dbraw/zinc/98/07/32/1065980732.db2.gz NPTDOGGOJCVLIG-QFIPXVFZSA-N 0 3 464.614 4.523 20 0 JJADHN Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2ccco2)N2CCCC2)c1C ZINC001360864988 1065983762 /nfs/dbraw/zinc/98/37/62/1065983762.db2.gz NSWUONISWOMVRB-HSZRJFAPSA-N 0 3 492.668 4.989 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)c1cccc(OC)c1 ZINC001440876360 1065987515 /nfs/dbraw/zinc/98/75/15/1065987515.db2.gz JVNRLIIVVSOHHS-CQOQZXRMSA-N 0 3 459.428 4.935 20 0 JJADHN CCN(CC)[C@H](CNC(=O)C1(Cc2ccccc2Br)CC1)c1cccc(OC)c1 ZINC001440884613 1065989682 /nfs/dbraw/zinc/98/96/82/1065989682.db2.gz XVNKFAVQGBBPQW-JOCHJYFZSA-N 0 3 459.428 4.980 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220166 1066016440 /nfs/dbraw/zinc/01/64/40/1066016440.db2.gz BMEVUYKMWUPFQS-RPWUZVMVSA-N 0 3 457.659 4.879 20 0 JJADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2CCCOC(C)C)c1C ZINC001360876842 1066021662 /nfs/dbraw/zinc/02/16/62/1066021662.db2.gz BWYADIHDZACORL-QHCPKHFHSA-N 0 3 469.674 4.915 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3cn(-c4ccc(C)cc4)nc3C(C)(C)C)cc2)CC1 ZINC001441312083 1066024939 /nfs/dbraw/zinc/02/49/39/1066024939.db2.gz PSVOAMJQMLAHEJ-UHFFFAOYSA-N 0 3 459.638 4.868 20 0 JJADHN O=C(NCCc1ccc(N2CCCCC2)cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001441371353 1066036020 /nfs/dbraw/zinc/03/60/20/1066036020.db2.gz NBJNGVLPLFLPGI-VWLOTQADSA-N 0 3 459.556 4.790 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001545942853 1066051961 /nfs/dbraw/zinc/05/19/61/1066051961.db2.gz JMEDTMKKMMLKKB-CGHRXAFASA-N 0 3 466.674 4.577 20 0 JJADHN Cc1sc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1-c1ccc(F)cc1 ZINC001441656409 1066057926 /nfs/dbraw/zinc/05/79/26/1066057926.db2.gz FLCYIPPDSIOKTK-UHFFFAOYSA-N 0 3 451.567 4.812 20 0 JJADHN CC[C@@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001441708594 1066063285 /nfs/dbraw/zinc/06/32/85/1066063285.db2.gz FTWWHAWVZPYVNZ-HSZRJFAPSA-N 0 3 458.444 4.661 20 0 JJADHN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC001442067797 1066089265 /nfs/dbraw/zinc/08/92/65/1066089265.db2.gz DCTQUXDHQJDPAR-JOCHJYFZSA-N 0 3 455.965 4.571 20 0 JJADHN C[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001442264372 1066110184 /nfs/dbraw/zinc/11/01/84/1066110184.db2.gz MOPHDNDEEOBCCE-UWXQAFAOSA-N 0 3 451.611 4.840 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304306 1066114574 /nfs/dbraw/zinc/11/45/74/1066114574.db2.gz HVILOVCMXPJBRJ-RCCFBDPRSA-N 0 3 454.455 4.952 20 0 JJADHN Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)N(C)C)cc1 ZINC001442478156 1066130876 /nfs/dbraw/zinc/13/08/76/1066130876.db2.gz UNHDSUTYKOSUIL-NGYIFUPDSA-N 0 3 459.993 4.505 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cc(Br)ccc2OC(F)F)N2CCCC2)cc1 ZINC001442594353 1066142268 /nfs/dbraw/zinc/14/22/68/1066142268.db2.gz PXAMBPWPQDKSLK-SFHVURJKSA-N 0 3 453.327 4.926 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)N2CCCC2)cc1 ZINC001442596353 1066142902 /nfs/dbraw/zinc/14/29/02/1066142902.db2.gz WCISGDZLIUBFOA-XMMPIXPASA-N 0 3 451.611 4.629 20 0 JJADHN COc1ccc(Br)c2[nH]c(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)cc21 ZINC001442596282 1066142907 /nfs/dbraw/zinc/14/29/07/1066142907.db2.gz VLICBWNGLGJUML-HXUWFJFHSA-N 0 3 456.384 4.814 20 0 JJADHN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)N(C)C ZINC001360985437 1066147260 /nfs/dbraw/zinc/14/72/60/1066147260.db2.gz APYUTQAAJQXKGX-HXUWFJFHSA-N 0 3 482.698 4.923 20 0 JJADHN C[C@H]1CCCC[C@@H]1CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001442755273 1066157040 /nfs/dbraw/zinc/15/70/40/1066157040.db2.gz ZCMJZJOAOOZYHA-JTHBVZDNSA-N 0 3 457.659 4.879 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1CCC1(O)CCC1 ZINC001360992010 1066171039 /nfs/dbraw/zinc/17/10/39/1066171039.db2.gz IKYWFIHUVOTQGA-OAQYLSRUSA-N 0 3 490.092 4.771 20 0 JJADHN Cc1cc(C)c(Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)c(C)c1 ZINC001361011440 1066194751 /nfs/dbraw/zinc/19/47/51/1066194751.db2.gz SFGZKROTXHMAJX-UHFFFAOYSA-N 0 3 477.701 4.638 20 0 JJADHN CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1)OC ZINC001545952030 1066224221 /nfs/dbraw/zinc/22/42/21/1066224221.db2.gz GWTLYTLTOCXLDU-VNMGMYBJSA-N 0 3 473.637 4.683 20 0 JJADHN CCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442869052 1066234342 /nfs/dbraw/zinc/23/43/42/1066234342.db2.gz JFQLKOOCVFMOFW-NZQKXSOJSA-N 0 3 452.517 4.631 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)ccn1 ZINC001454015073 1066235114 /nfs/dbraw/zinc/23/51/14/1066235114.db2.gz QNAKRZJCYIZRCJ-NRFANRHFSA-N 0 3 458.002 4.658 20 0 JJADHN CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001442879719 1066236529 /nfs/dbraw/zinc/23/65/29/1066236529.db2.gz QVUSEFYTBHEWGL-GOTSBHOMSA-N 0 3 457.659 4.783 20 0 JJADHN Cc1ccc([C@](O)(CC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123752 1066248827 /nfs/dbraw/zinc/24/88/27/1066248827.db2.gz YBAWRHYEQQQNFI-HSZRJFAPSA-N 0 3 452.517 4.630 20 0 JJADHN CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001443010865 1066252745 /nfs/dbraw/zinc/25/27/45/1066252745.db2.gz JCHPVUBSJXQDFR-HXUWFJFHSA-N 0 3 458.444 4.578 20 0 JJADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)C(F)(F)F)c1 ZINC001361035190 1066253070 /nfs/dbraw/zinc/25/30/70/1066253070.db2.gz AKCOYNHCBHWLNM-UHFFFAOYSA-N 0 3 467.580 4.840 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098387 1066267512 /nfs/dbraw/zinc/26/75/12/1066267512.db2.gz PFOXGEMOXBPMFW-AVRDEDQJSA-N 0 3 451.369 4.945 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001443098400 1066267548 /nfs/dbraw/zinc/26/75/48/1066267548.db2.gz PFOXGEMOXBPMFW-XMSQKQJNSA-N 0 3 451.369 4.945 20 0 JJADHN C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001546063299 1066302308 /nfs/dbraw/zinc/30/23/08/1066302308.db2.gz MTEVZEMXYNPEKR-HXUWFJFHSA-N 0 3 459.556 4.697 20 0 JJADHN CCN1CCN([C@H](C)CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)CC1 ZINC001443501528 1066319420 /nfs/dbraw/zinc/31/94/20/1066319420.db2.gz VZIDABZDZCSFCU-OAHLLOKOSA-N 0 3 453.414 4.528 20 0 JJADHN Nc1c(Br)cc(F)cc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443543051 1066327647 /nfs/dbraw/zinc/32/76/47/1066327647.db2.gz XLXLPPYJCDVRFE-UHFFFAOYSA-N 0 3 454.771 4.562 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@]3(C)Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC001454784002 1066334210 /nfs/dbraw/zinc/33/42/10/1066334210.db2.gz FMSWYPKEOZIYCJ-AREMUKBSSA-N 0 3 458.021 4.923 20 0 JJADHN CCCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443623580 1066338690 /nfs/dbraw/zinc/33/86/90/1066338690.db2.gz KIWPVAYYTKQCLM-QPPBQGQZSA-N 0 3 457.659 4.578 20 0 JJADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C3CCCC3)CC2)n1CC(F)(F)F ZINC001361091858 1066342710 /nfs/dbraw/zinc/34/27/10/1066342710.db2.gz VYRXSXPWMIPSCX-UHFFFAOYSA-N 0 3 485.982 4.878 20 0 JJADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2)cc1 ZINC001455012608 1066353318 /nfs/dbraw/zinc/35/33/18/1066353318.db2.gz PVHASTWWMYLSJM-QDSKXPNFSA-N 0 3 451.611 4.588 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001455096817 1066360000 /nfs/dbraw/zinc/36/00/00/1066360000.db2.gz INAGCXCGWBHGBY-SANMLTNESA-N 0 3 457.615 4.898 20 0 JJADHN Cc1cccc(OCCN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)N2CCCC2)c1 ZINC001361110927 1066360476 /nfs/dbraw/zinc/36/04/76/1066360476.db2.gz UEOGUXJWPVAXGS-JOCHJYFZSA-N 0 3 451.615 4.829 20 0 JJADHN Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N(C)C[C@@H]3CCCCN3Cc3ccccc3)c2)n1 ZINC001455296397 1066381667 /nfs/dbraw/zinc/38/16/67/1066381667.db2.gz VTVWGEGPTAAYEC-QHCPKHFHSA-N 0 3 459.594 4.669 20 0 JJADHN Cc1ccc(Br)c2[nH]c(C(=O)NCC3(N4CCSCC4)CCCCC3)cc21 ZINC001443929482 1066386427 /nfs/dbraw/zinc/38/64/27/1066386427.db2.gz RPCMFXYWYCBYSD-UHFFFAOYSA-N 0 3 450.446 4.720 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CCC(C)C)c1 ZINC001361128512 1066392067 /nfs/dbraw/zinc/39/20/67/1066392067.db2.gz YGCMXGTWXZQSMR-RUZDIDTESA-N 0 3 496.744 4.940 20 0 JJADHN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC001455456009 1066392546 /nfs/dbraw/zinc/39/25/46/1066392546.db2.gz MXPNIBSDIOBXKJ-ZEQRLZLVSA-N 0 3 459.556 4.578 20 0 JJADHN Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)N(C)C)cc1 ZINC001361139451 1066415060 /nfs/dbraw/zinc/41/50/60/1066415060.db2.gz JXLDFQFTUYAIJF-UXHICEINSA-N 0 3 457.573 4.998 20 0 JJADHN Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2Nc2cnn([C@H]3CC3(F)F)c2)N(C)C)cc1 ZINC001361139450 1066415105 /nfs/dbraw/zinc/41/51/05/1066415105.db2.gz JXLDFQFTUYAIJF-PMACEKPBSA-N 0 3 457.573 4.998 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC001361140532 1066418139 /nfs/dbraw/zinc/41/81/39/1066418139.db2.gz CKZJIDPYQSCMGL-DEOSSOPVSA-N 0 3 451.663 4.622 20 0 JJADHN Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2C[C@@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141154 1066420248 /nfs/dbraw/zinc/42/02/48/1066420248.db2.gz KPDOHQJAFWRJTQ-NRFANRHFSA-N 0 3 470.712 4.577 20 0 JJADHN COc1ccc(N(CCc2ccccc2)C(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC001444321283 1066448803 /nfs/dbraw/zinc/44/88/03/1066448803.db2.gz HGNABYGFVWOOJG-UHFFFAOYSA-N 0 3 457.618 4.792 20 0 JJADHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)c1 ZINC001455956683 1066459922 /nfs/dbraw/zinc/45/99/22/1066459922.db2.gz BBQIZLDKUPIDOI-UHFFFAOYSA-N 0 3 451.611 4.887 20 0 JJADHN Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001361159553 1066464368 /nfs/dbraw/zinc/46/43/68/1066464368.db2.gz BYCFPKPDTMHMPU-UHFFFAOYSA-N 0 3 482.698 4.568 20 0 JJADHN O=C(CC1CCN(CC(F)(F)F)CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001444500370 1066468849 /nfs/dbraw/zinc/46/88/49/1066468849.db2.gz GOUUATITTRBOJA-UHFFFAOYSA-N 0 3 451.577 4.698 20 0 JJADHN C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444537251 1066473543 /nfs/dbraw/zinc/47/35/43/1066473543.db2.gz AXQGBIBHQQNHAJ-MRXNPFEDSA-N 0 3 459.612 4.576 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1cnc(-c2ccccc2Cl)s1 ZINC001444541597 1066473561 /nfs/dbraw/zinc/47/35/61/1066473561.db2.gz PBHQSODVZMYJCM-UHFFFAOYSA-N 0 3 459.974 4.876 20 0 JJADHN O=C(/C=C/CCc1ccccc1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC001444648447 1066487907 /nfs/dbraw/zinc/48/79/07/1066487907.db2.gz KFKIITPZPYPXBQ-WEVVVXLNSA-N 0 3 457.412 4.598 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@@H](F)CC1CCCCC1 ZINC001444651950 1066488939 /nfs/dbraw/zinc/48/89/39/1066488939.db2.gz QVEVYUVANQBZMZ-NRFANRHFSA-N 0 3 455.412 4.717 20 0 JJADHN Cc1ccc(/C=C/CC(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC001444651581 1066488958 /nfs/dbraw/zinc/48/89/58/1066488958.db2.gz PKPGQNIHAPTYSI-NSCUHMNNSA-N 0 3 457.412 4.820 20 0 JJADHN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc(C(C)(C)C)cc1 ZINC001444660400 1066489321 /nfs/dbraw/zinc/48/93/21/1066489321.db2.gz DXVPDAGYRACGQO-ZJSXRUAMSA-N 0 3 454.586 4.756 20 0 JJADHN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001456053324 1066494634 /nfs/dbraw/zinc/49/46/34/1066494634.db2.gz FQEXPBPDLRFZOF-FQEVSTJZSA-N 0 3 452.545 4.913 20 0 JJADHN COc1ccc(-c2nc(C)sc2CC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC001456055883 1066496098 /nfs/dbraw/zinc/49/60/98/1066496098.db2.gz JKUOJAWYKRJCEN-UHFFFAOYSA-N 0 3 458.027 4.913 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001456058964 1066497966 /nfs/dbraw/zinc/49/79/66/1066497966.db2.gz VZBWZKGPMGJLQP-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN O=C(c1cccnc1Br)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456060656 1066498514 /nfs/dbraw/zinc/49/85/14/1066498514.db2.gz RXZDCRGKDGGKSW-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001456060439 1066498561 /nfs/dbraw/zinc/49/85/61/1066498561.db2.gz VMCNARVDBSAKLC-CQSZACIVSA-N 0 3 457.771 4.599 20 0 JJADHN C[C@@H]1CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)CCN1Cc1ccccc1 ZINC001444902963 1066517530 /nfs/dbraw/zinc/51/75/30/1066517530.db2.gz GYGCNQWHBKAZEN-MRCUYLHHSA-N 0 3 455.643 4.679 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1N)Cc1ccccc1 ZINC001444950569 1066521533 /nfs/dbraw/zinc/52/15/33/1066521533.db2.gz KKWVDLACKASBGV-UHFFFAOYSA-N 0 3 452.396 4.806 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)o1 ZINC001361209406 1066542685 /nfs/dbraw/zinc/54/26/85/1066542685.db2.gz WKAVXOUOEBTOPS-FGZHOGPDSA-N 0 3 455.578 4.540 20 0 JJADHN COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(CN(C)C)ccc3C)CC2)c2ccccc12 ZINC001445294602 1066555402 /nfs/dbraw/zinc/55/54/02/1066555402.db2.gz SJGFQRJEYZDYCX-UHFFFAOYSA-N 0 3 459.590 4.709 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2cc(Br)ccc2F)o1 ZINC001361220798 1066558462 /nfs/dbraw/zinc/55/84/62/1066558462.db2.gz DUDPJIPDZQUYCJ-UHFFFAOYSA-N 0 3 490.421 4.911 20 0 JJADHN Cc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)sc1-c1ccc(F)cc1 ZINC001456314361 1066561145 /nfs/dbraw/zinc/56/11/45/1066561145.db2.gz BXKSUFKKLOAEQJ-UHFFFAOYSA-N 0 3 451.567 4.941 20 0 JJADHN CSc1cccc(N(C(=O)Cc2cc(F)ccc2Br)C2CCN(C)CC2)c1 ZINC001456339605 1066565264 /nfs/dbraw/zinc/56/52/64/1066565264.db2.gz OKYGPCPTUPPZJL-UHFFFAOYSA-N 0 3 451.405 4.980 20 0 JJADHN Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](c2cccs2)N(C)C)cc1Br ZINC001361229336 1066568728 /nfs/dbraw/zinc/56/87/28/1066568728.db2.gz PZBTZKQIIKKRHP-LPHOPBHVSA-N 0 3 490.471 4.606 20 0 JJADHN Cc1ccccc1COc1ccccc1C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456433081 1066584499 /nfs/dbraw/zinc/58/44/99/1066584499.db2.gz KYLBWAXCQYGMLA-UHFFFAOYSA-N 0 3 458.602 4.939 20 0 JJADHN Cc1ccc(CCn2c(N3CCN(CCC(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001361245422 1066587073 /nfs/dbraw/zinc/58/70/73/1066587073.db2.gz OJQBHBPSEJXCIX-GDLZYMKVSA-N 0 3 497.728 4.736 20 0 JJADHN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001445705287 1066607518 /nfs/dbraw/zinc/60/75/18/1066607518.db2.gz UNMWRCPGSIKTSM-SIKLNZKXSA-N 0 3 454.590 4.789 20 0 JJADHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC001445705281 1066607624 /nfs/dbraw/zinc/60/76/24/1066607624.db2.gz UNMWRCPGSIKTSM-KNQAVFIVSA-N 0 3 454.590 4.789 20 0 JJADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790306 1066618097 /nfs/dbraw/zinc/61/80/97/1066618097.db2.gz RWMMBGFNZFLDIQ-XVGQJIODSA-N 0 3 456.414 4.500 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1nc(Br)ccc1F)Cc1ccccc1 ZINC001361279736 1066636797 /nfs/dbraw/zinc/63/67/97/1066636797.db2.gz ZYIMIDOGLTYMGM-UHFFFAOYSA-N 0 3 456.359 4.758 20 0 JJADHN CCC(CC)(C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001446031663 1066648711 /nfs/dbraw/zinc/64/87/11/1066648711.db2.gz HCGZRBHCDIICRN-UHFFFAOYSA-N 0 3 454.611 4.605 20 0 JJADHN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001446462477 1066707050 /nfs/dbraw/zinc/70/70/50/1066707050.db2.gz UXNJARPVNCQOAX-HIFRSBDPSA-N 0 3 452.454 4.591 20 0 JJADHN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC001446758405 1066736332 /nfs/dbraw/zinc/73/63/32/1066736332.db2.gz MDTOTCNXPLABIN-HLAWJBBLSA-N 0 3 454.533 4.719 20 0 JJADHN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001446758415 1066736799 /nfs/dbraw/zinc/73/67/99/1066736799.db2.gz MDTOTCNXPLABIN-NRSPTQNISA-N 0 3 454.533 4.719 20 0 JJADHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1ccoc1Br ZINC001446824527 1066745096 /nfs/dbraw/zinc/74/50/96/1066745096.db2.gz NTRVWEJWSJWRJM-UHFFFAOYSA-N 0 3 454.368 4.659 20 0 JJADHN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647338 1066751445 /nfs/dbraw/zinc/75/14/45/1066751445.db2.gz JSKACTPCVKMBAL-QHCPKHFHSA-N 0 3 464.614 4.712 20 0 JJADHN Cc1csc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492647337 1066751502 /nfs/dbraw/zinc/75/15/02/1066751502.db2.gz JSKACTPCVKMBAL-HSZRJFAPSA-N 0 3 464.614 4.712 20 0 JJADHN Cc1csc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC001492648047 1066752917 /nfs/dbraw/zinc/75/29/17/1066752917.db2.gz HYSYPZQISVHSKS-HSZRJFAPSA-N 0 3 481.645 4.588 20 0 JJADHN Cc1csc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)c1 ZINC001492648475 1066754484 /nfs/dbraw/zinc/75/44/84/1066754484.db2.gz XOQFTJLSKWTQEZ-OAQYLSRUSA-N 0 3 494.690 4.579 20 0 JJADHN Cc1nc(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001492668166 1066795377 /nfs/dbraw/zinc/79/53/77/1066795377.db2.gz AEKZAKOQRGRGJJ-NRFANRHFSA-N 0 3 484.670 4.816 20 0 JJADHN Cc1nc(Cc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)cs1 ZINC001492671345 1066801956 /nfs/dbraw/zinc/80/19/56/1066801956.db2.gz VBZWPUKASZPYIJ-YVHKJVDXSA-N 0 3 456.635 4.558 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001492676469 1066813637 /nfs/dbraw/zinc/81/36/37/1066813637.db2.gz GKKXESXAOQVXOD-OAQYLSRUSA-N 0 3 470.662 4.777 20 0 JJADHN Cc1nc(Cc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)cs1 ZINC001492683935 1066827369 /nfs/dbraw/zinc/82/73/69/1066827369.db2.gz MHGFYOBGIGNGNQ-FGZHOGPDSA-N 0 3 470.712 4.515 20 0 JJADHN Cc1nc(CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001492686513 1066831406 /nfs/dbraw/zinc/83/14/06/1066831406.db2.gz CJWZHAHBGLVYRY-OAQYLSRUSA-N 0 3 482.698 4.821 20 0 JJADHN Cc1nc(CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001492686512 1066831487 /nfs/dbraw/zinc/83/14/87/1066831487.db2.gz CJWZHAHBGLVYRY-NRFANRHFSA-N 0 3 482.698 4.821 20 0 JJADHN CN(C)CCN(Cc1cccs1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC001457436182 1066831944 /nfs/dbraw/zinc/83/19/44/1066831944.db2.gz OHFMHTXOZHBLAM-UHFFFAOYSA-N 0 3 452.443 4.643 20 0 JJADHN Cc1ncc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCN2CC=CCC2)s1 ZINC001492695431 1066842146 /nfs/dbraw/zinc/84/21/46/1066842146.db2.gz BENGEFNWSTUEDU-UHFFFAOYSA-N 0 3 491.434 4.510 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001448029195 1066892341 /nfs/dbraw/zinc/89/23/41/1066892341.db2.gz QLWZEKONZWLCSM-ZHRRBRCNSA-N 0 3 455.400 4.673 20 0 JJADHN Cc1nn(-c2ccccc2)c(C)c1Cn1c(CC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492728936 1066898857 /nfs/dbraw/zinc/89/88/57/1066898857.db2.gz PNKSEODGISDEQO-UHFFFAOYSA-N 0 3 477.701 4.886 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001492732161 1066904322 /nfs/dbraw/zinc/90/43/22/1066904322.db2.gz JZXGYDKVNQIGJB-MOPGFXCFSA-N 0 3 469.684 4.763 20 0 JJADHN Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC001457744028 1066909472 /nfs/dbraw/zinc/90/94/72/1066909472.db2.gz LLWXUENIESFRLN-UHFFFAOYSA-N 0 3 454.590 4.901 20 0 JJADHN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(Cl)c1)N1CCCCCC1 ZINC001448295966 1066916536 /nfs/dbraw/zinc/91/65/36/1066916536.db2.gz MZHYRKOJOVXRJM-GHTZIAJQSA-N 0 3 450.023 4.725 20 0 JJADHN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448465235 1066930199 /nfs/dbraw/zinc/93/01/99/1066930199.db2.gz LORWCKCBNHSEKQ-XUZZJYLKSA-N 0 3 451.517 4.568 20 0 JJADHN Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC001448465234 1066930282 /nfs/dbraw/zinc/93/02/82/1066930282.db2.gz LORWCKCBNHSEKQ-URXFXBBRSA-N 0 3 451.517 4.568 20 0 JJADHN Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001492843620 1066956797 /nfs/dbraw/zinc/95/67/97/1066956797.db2.gz HZCPJJZMNYBOBK-SJLPKXTDSA-N 0 3 482.551 4.888 20 0 JJADHN Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001492843622 1066956817 /nfs/dbraw/zinc/95/68/17/1066956817.db2.gz HZCPJJZMNYBOBK-WMZOPIPTSA-N 0 3 482.551 4.888 20 0 JJADHN COc1ccccc1Nc1ncccc1C(=O)NCCNC(c1ccccc1)c1ccccc1 ZINC001458037504 1066959054 /nfs/dbraw/zinc/95/90/54/1066959054.db2.gz WZGQHWFDKFPPOC-UHFFFAOYSA-N 0 3 452.558 4.943 20 0 JJADHN Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001492944939 1066961168 /nfs/dbraw/zinc/96/11/68/1066961168.db2.gz VFTJVXYRPMUYLK-RBUKOAKNSA-N 0 3 466.438 4.836 20 0 JJADHN CCc1ccc(-c2nc(CC(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)cs2)cc1 ZINC001448923081 1066970496 /nfs/dbraw/zinc/97/04/96/1066970496.db2.gz PBJFASUSNXRAEE-UHFFFAOYSA-N 0 3 451.558 4.837 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccnc(OC(F)F)c1)c1ccccc1 ZINC001545730570 1066988371 /nfs/dbraw/zinc/98/83/71/1066988371.db2.gz BQIXXGSWKNPKGO-XQBPLPMBSA-N 0 3 484.595 4.784 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545731896 1066991949 /nfs/dbraw/zinc/99/19/49/1066991949.db2.gz UUSWAGQKGGTGGE-BFLUCZKCSA-N 0 3 480.745 4.966 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732006 1066992582 /nfs/dbraw/zinc/99/25/82/1066992582.db2.gz WESHESPCHZGVSS-FUPPJEDESA-N 0 3 484.689 4.606 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732009 1066993132 /nfs/dbraw/zinc/99/31/32/1066993132.db2.gz WESHESPCHZGVSS-QZNHQXDQSA-N 0 3 484.689 4.606 20 0 JJADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC001449365195 1067004629 /nfs/dbraw/zinc/00/46/29/1067004629.db2.gz FZWKDGPIJGNRRZ-JOCHJYFZSA-N 0 3 459.556 4.932 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC(C)C)CC2)n1CC(F)(F)Br)c1ccccc1 ZINC001545758831 1067040645 /nfs/dbraw/zinc/04/06/45/1067040645.db2.gz NTBRKQHKEMYLPQ-SFHVURJKSA-N 0 3 470.406 4.586 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC(F)(F)F)c1ccccc1 ZINC001545759203 1067041325 /nfs/dbraw/zinc/04/13/25/1067041325.db2.gz UGDOXBSDAGSACU-QFIPXVFZSA-N 0 3 479.591 4.711 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](SC)C(C)(C)C)c1ccccc1 ZINC001545759370 1067042093 /nfs/dbraw/zinc/04/20/93/1067042093.db2.gz XECBUDFMYWMLAI-GMKZXUHWSA-N 0 3 485.742 4.756 20 0 JJADHN CC[C@@H](C)N[C@H](CNc1ncnc2c1cnn2-c1cccc(Br)c1)c1ccco1 ZINC001458372606 1067044968 /nfs/dbraw/zinc/04/49/68/1067044968.db2.gz QDDCVCKWYTZCBG-RDTXWAMCSA-N 0 3 455.360 4.712 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001450114027 1067050398 /nfs/dbraw/zinc/05/03/98/1067050398.db2.gz KCTRZBKLUAEELJ-LADGPHEKSA-N 0 3 459.675 4.681 20 0 JJADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001450120377 1067051003 /nfs/dbraw/zinc/05/10/03/1067051003.db2.gz RHBJPDGFILQPCO-XPGKHFPBSA-N 0 3 483.697 4.966 20 0 JJADHN COc1ccc(OCCC(=O)N(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001450154051 1067055148 /nfs/dbraw/zinc/05/51/48/1067055148.db2.gz TWCXFTNTRHNRHQ-VWLOTQADSA-N 0 3 459.590 4.553 20 0 JJADHN CCC(CC)(Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001545771324 1067058113 /nfs/dbraw/zinc/05/81/13/1067058113.db2.gz MBBQJMMHNVVTRU-IBGZPJMESA-N 0 3 461.626 4.683 20 0 JJADHN C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC001450267729 1067066915 /nfs/dbraw/zinc/06/69/15/1067066915.db2.gz GKLSQRUETZFJAS-INIZCTEOSA-N 0 3 454.924 4.533 20 0 JJADHN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCCC2)CC1)SC ZINC001545775957 1067070115 /nfs/dbraw/zinc/07/01/15/1067070115.db2.gz QHTVNCHJPLCAPU-UHFFFAOYSA-N 0 3 457.688 4.940 20 0 JJADHN CC[C@]1(C)CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCCCC2)CCO1 ZINC001546102013 1067086374 /nfs/dbraw/zinc/08/63/74/1067086374.db2.gz PIJQLFRGUVAAHR-HSZRJFAPSA-N 0 3 482.456 4.655 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628491 1067098470 /nfs/dbraw/zinc/09/84/70/1067098470.db2.gz JLHVBMHWLRMOMY-UTKZUKDTSA-N 0 3 453.380 4.618 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC001450697243 1067105321 /nfs/dbraw/zinc/10/53/21/1067105321.db2.gz WAJDGPALXCKAIN-UHFFFAOYSA-N 0 3 453.384 4.576 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)[C@H](O)C2CCCCCCC2)CC1 ZINC001450701220 1067106851 /nfs/dbraw/zinc/10/68/51/1067106851.db2.gz NGTJIZDCXIBXJY-JOCHJYFZSA-N 0 3 451.449 4.593 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2cnc3c(F)cccc3c2)CC1 ZINC001450702984 1067107597 /nfs/dbraw/zinc/10/75/97/1067107597.db2.gz TVGRCFCWPDEEMJ-UHFFFAOYSA-N 0 3 456.359 4.873 20 0 JJADHN COc1ccc(CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710031 1067108962 /nfs/dbraw/zinc/10/89/62/1067108962.db2.gz ILNJFFCQZPOIQD-WMZHIEFXSA-N 0 3 454.586 4.882 20 0 JJADHN CN(C)C[C@@H](NC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1)c1ccc(F)cc1 ZINC001450713989 1067109398 /nfs/dbraw/zinc/10/93/98/1067109398.db2.gz YELONIVEPSVMIG-LJQANCHMSA-N 0 3 452.313 4.732 20 0 JJADHN CC(C)Cc1ccc([C@H](CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)N(C)C)cc1 ZINC001450776879 1067119774 /nfs/dbraw/zinc/11/97/74/1067119774.db2.gz BEDIWGXUMYTDDN-UEWRSKAFSA-N 0 3 459.590 4.668 20 0 JJADHN Cc1nn(-c2ccccc2)c2ncc(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)N(C)C)cc12 ZINC001450780962 1067120247 /nfs/dbraw/zinc/12/02/47/1067120247.db2.gz GSVLVEFEATYTRD-AREMUKBSSA-N 0 3 455.606 4.960 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)N(C)C)cc1 ZINC001450781613 1067120297 /nfs/dbraw/zinc/12/02/97/1067120297.db2.gz IJMYPJFKIZAWOP-HSZRJFAPSA-N 0 3 451.590 4.761 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@@H](C)C1)N1CCOCC1 ZINC001545805984 1067122103 /nfs/dbraw/zinc/12/21/03/1067122103.db2.gz WJOOLDGRGPPNFQ-OTPAQWSUSA-N 0 3 469.674 4.573 20 0 JJADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001450803111 1067123433 /nfs/dbraw/zinc/12/34/33/1067123433.db2.gz OLXWHUWAJYAGJE-HRAATJIYSA-N 0 3 452.565 4.783 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC[C@H]1C)N1CCOCC1 ZINC001545807231 1067124105 /nfs/dbraw/zinc/12/41/05/1067124105.db2.gz DOXALHLOSSIKTG-BWKNWUBXSA-N 0 3 483.701 4.605 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cc(C)on1)N1CCOCC1 ZINC001545807750 1067128345 /nfs/dbraw/zinc/12/83/45/1067128345.db2.gz NSGCQDOQXHRODZ-QHCPKHFHSA-N 0 3 487.048 4.668 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1)N1CCOCC1 ZINC001545807872 1067129426 /nfs/dbraw/zinc/12/94/26/1067129426.db2.gz PAYGKZLWWRIODM-XMMPIXPASA-N 0 3 483.060 4.767 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCOC(C)(C)C1)N1CCOCC1 ZINC001545808064 1067131134 /nfs/dbraw/zinc/13/11/34/1067131134.db2.gz RPYSNGLVYKKYRF-VWLOTQADSA-N 0 3 497.728 4.995 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)N1CCOCC1 ZINC001545808353 1067133688 /nfs/dbraw/zinc/13/36/88/1067133688.db2.gz WZRPMRKTNXWCAQ-VOQZNFBZSA-N 0 3 464.029 4.530 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](COC)C1)N1CCOCC1 ZINC001545809286 1067135635 /nfs/dbraw/zinc/13/56/35/1067135635.db2.gz ACLYBPHNDYINKG-BVAGGSTKSA-N 0 3 483.701 4.643 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](COC)C1)N1CCOCC1 ZINC001545809289 1067135687 /nfs/dbraw/zinc/13/56/87/1067135687.db2.gz ACLYBPHNDYINKG-ZEQKJWHPSA-N 0 3 483.701 4.643 20 0 JJADHN CCC1(CC)CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CC=CCC2)C1 ZINC001546105084 1067207511 /nfs/dbraw/zinc/20/75/11/1067207511.db2.gz UHKURCQOEUYVQX-UHFFFAOYSA-N 0 3 458.448 4.986 20 0 JJADHN O=C(CCc1cccc(OCc2ccccc2)c1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001458970748 1067213268 /nfs/dbraw/zinc/21/32/68/1067213268.db2.gz DKELNQQHXAPCMA-NDEPHWFRSA-N 0 3 458.602 4.606 20 0 JJADHN Cc1cc2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)oc2c(Br)c1 ZINC001458972864 1067213674 /nfs/dbraw/zinc/21/36/74/1067213674.db2.gz JILIUFDIUVRTMB-LJQANCHMSA-N 0 3 457.368 4.525 20 0 JJADHN CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001546104939 1067220660 /nfs/dbraw/zinc/22/06/60/1067220660.db2.gz OEWDXFPRMSYCNW-YIXXDRMTSA-N 0 3 469.674 4.638 20 0 JJADHN CC(C)N1CCN(CCCSc2nc3cc(F)ccc3n2CCOc2ccccc2)CC1 ZINC001459033907 1067235366 /nfs/dbraw/zinc/23/53/66/1067235366.db2.gz BJJTYUBJWJDUHF-UHFFFAOYSA-N 0 3 456.631 4.763 20 0 JJADHN CCn1c(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)nnc1-c1ccc(Cl)cc1 ZINC001459258038 1067278268 /nfs/dbraw/zinc/27/82/68/1067278268.db2.gz WVUUVNFHJDWTDL-HRAATJIYSA-N 0 3 458.031 4.518 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)c3ccc(Oc4ccc(Cl)cn4)cc3)CC2)c1 ZINC001453139066 1067283268 /nfs/dbraw/zinc/28/32/68/1067283268.db2.gz BPXJJLSZSIRYLB-UHFFFAOYSA-N 0 3 451.954 4.930 20 0 JJADHN CCN(C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1)[C@@H]1CCN(CC)C1 ZINC001453177688 1067286958 /nfs/dbraw/zinc/28/69/58/1067286958.db2.gz MKWFVBQHQIKRKC-HXUWFJFHSA-N 0 3 458.400 4.566 20 0 JJADHN CN(CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001459431891 1067324516 /nfs/dbraw/zinc/32/45/16/1067324516.db2.gz HQFNVFDNMPLGBI-QFIPXVFZSA-N 0 3 453.384 4.509 20 0 JJADHN CCOC(=O)C1=C(CNC(C)(C)CCc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459441004 1067325730 /nfs/dbraw/zinc/32/57/30/1067325730.db2.gz UMXZPGHQHWNPKB-QFIPXVFZSA-N 0 3 455.986 4.512 20 0 JJADHN CC(C)(C)C1CCC(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC001459474223 1067334416 /nfs/dbraw/zinc/33/44/16/1067334416.db2.gz AZDNJBPYHRDNLP-UHFFFAOYSA-N 0 3 451.449 4.825 20 0 JJADHN O=C(CN1CCC(Cc2ccccc2F)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459657890 1067373467 /nfs/dbraw/zinc/37/34/67/1067373467.db2.gz RTSDMWSFRJPRND-RUZDIDTESA-N 0 3 458.021 4.687 20 0 JJADHN CSc1ccc(OC[C@H](O)CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC001459666073 1067376903 /nfs/dbraw/zinc/37/69/03/1067376903.db2.gz YJMWYATULWASHF-PKOBYXMFSA-N 0 3 459.999 4.731 20 0 JJADHN CC(C)[C@H](NCC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccc(C2CCCCC2)cc1 ZINC001459684410 1067382487 /nfs/dbraw/zinc/38/24/87/1067382487.db2.gz MNMPTHSGNOCILV-VWLOTQADSA-N 0 3 450.562 4.775 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3C)c(OCC)c2)CC1 ZINC001459711264 1067391537 /nfs/dbraw/zinc/39/15/37/1067391537.db2.gz UFMBTNVLEREXRS-UHFFFAOYSA-N 0 3 450.505 4.592 20 0 JJADHN CC(C)NC(=O)c1ccccc1NC(=O)CN1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC001459784835 1067420924 /nfs/dbraw/zinc/42/09/24/1067420924.db2.gz GNZKBFIBXFRYAO-KMRXNPHXSA-N 0 3 455.602 4.842 20 0 JJADHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001459789199 1067422932 /nfs/dbraw/zinc/42/29/32/1067422932.db2.gz YCGMMHZQSUHQDT-RUZDIDTESA-N 0 3 452.986 4.669 20 0 JJADHN CCOc1ccccc1[C@H](CC)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459797029 1067427557 /nfs/dbraw/zinc/42/75/57/1067427557.db2.gz NHFINHHGBRYAPL-CZJMCEMMSA-N 0 3 459.631 4.515 20 0 JJADHN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN[C@H](CO)C(C)(C)C)cc1 ZINC001459803504 1067430638 /nfs/dbraw/zinc/43/06/38/1067430638.db2.gz HFSCKUHLQVRBJI-CLJLJLNGSA-N 0 3 459.590 4.523 20 0 JJADHN CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001546112064 1067436483 /nfs/dbraw/zinc/43/64/83/1067436483.db2.gz BJNLEBYQCWEQJS-QFIPXVFZSA-N 0 3 494.709 4.897 20 0 JJADHN CCOC(=O)C1C(CN[C@@H](c2ccccc2C)C2CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833198 1067444821 /nfs/dbraw/zinc/44/48/21/1067444821.db2.gz JFGCIULODKPBAY-PKTZIBPZSA-N 0 3 453.970 4.560 20 0 JJADHN C[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc2c(cc1Br)OCCO2 ZINC001459842704 1067449634 /nfs/dbraw/zinc/44/96/34/1067449634.db2.gz JRIKSJZLEHFSGG-CQSZACIVSA-N 0 3 455.393 4.518 20 0 JJADHN CC[C@@H](C)[C@H](NCc1ccnc(Br)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001459847750 1067453142 /nfs/dbraw/zinc/45/31/42/1067453142.db2.gz BNPQWUCIRRBRLX-JPYJTQIMSA-N 0 3 458.444 4.830 20 0 JJADHN O[C@@H](CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)c1ccc(F)c(Br)c1 ZINC001459851033 1067456257 /nfs/dbraw/zinc/45/62/57/1067456257.db2.gz GFBJYITZJDCSGL-LPHOPBHVSA-N 0 3 451.384 4.667 20 0 JJADHN O[C@@H](CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc(F)c(Br)c1 ZINC001459851033 1067456261 /nfs/dbraw/zinc/45/62/61/1067456261.db2.gz GFBJYITZJDCSGL-LPHOPBHVSA-N 0 3 451.384 4.667 20 0 JJADHN COc1ccc([C@H](Cc2ccc(F)cc2)NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001459864672 1067463134 /nfs/dbraw/zinc/46/31/34/1067463134.db2.gz BXFFHWMAOONFIB-FQEVSTJZSA-N 0 3 458.436 4.668 20 0 JJADHN C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC001459867726 1067465360 /nfs/dbraw/zinc/46/53/60/1067465360.db2.gz LCTRIBBYESUTFB-VGSWGCGISA-N 0 3 459.512 4.674 20 0 JJADHN O=C(CCN[C@@H](CO)c1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459928330 1067495426 /nfs/dbraw/zinc/49/54/26/1067495426.db2.gz BNIMTPGPOJQFCD-QFIPXVFZSA-N 0 3 455.352 4.893 20 0 JJADHN Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN[C@@H](CO)C3CCCCC3)nc2c1C ZINC001459932873 1067496997 /nfs/dbraw/zinc/49/69/97/1067496997.db2.gz NHNMPQRSZQLQPH-QFIPXVFZSA-N 0 3 451.636 4.977 20 0 JJADHN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001459933213 1067497343 /nfs/dbraw/zinc/49/73/43/1067497343.db2.gz JSLJOQAYYWPJHH-OAQYLSRUSA-N 0 3 452.599 4.873 20 0 JJADHN CCCN(C)[C@H](CNC(=O)c1cnn(-c2ccccc2OC)c1CC)c1ccc(Cl)cc1 ZINC001459944981 1067501809 /nfs/dbraw/zinc/50/18/09/1067501809.db2.gz IWRXDLHNTUDAHN-HSZRJFAPSA-N 0 3 455.002 4.910 20 0 JJADHN CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955775 1067506302 /nfs/dbraw/zinc/50/63/02/1067506302.db2.gz VGMBASDGXRCQEL-GOEBONIOSA-N 0 3 452.617 4.638 20 0 JJADHN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN[C@H](CC(F)(F)F)C(C)C)cc2)cc1 ZINC001459967426 1067510374 /nfs/dbraw/zinc/51/03/74/1067510374.db2.gz WSMZJLAWPVKMAS-HXUWFJFHSA-N 0 3 451.489 4.843 20 0 JJADHN CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002845 1067522323 /nfs/dbraw/zinc/52/23/23/1067522323.db2.gz FAXCMDQYTMOQHM-MBSDFSHPSA-N 0 3 459.656 4.548 20 0 JJADHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C(C)(C)C)cc1 ZINC001460002839 1067522475 /nfs/dbraw/zinc/52/24/75/1067522475.db2.gz FAXCMDQYTMOQHM-FDDCHVKYSA-N 0 3 459.656 4.548 20 0 JJADHN CCN(CC)C(=O)OC[C@H]1CCCCN1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC001460066496 1067544131 /nfs/dbraw/zinc/54/41/31/1067544131.db2.gz HZJHNXOVYQQYMD-XMMPIXPASA-N 0 3 451.611 4.615 20 0 JJADHN CC1CCN(C(=O)OC[C@@H]2CCCCN2CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC001460076156 1067547715 /nfs/dbraw/zinc/54/77/15/1067547715.db2.gz SDORRIUSBWVRKU-SFHVURJKSA-N 0 3 455.521 4.757 20 0 JJADHN C[C@H](NC1(Cc2ccc(F)cc2Br)CCOCC1)c1cn(-c2ccccc2)nn1 ZINC001460137387 1067562683 /nfs/dbraw/zinc/56/26/83/1067562683.db2.gz MUCKQPBAYOPOOY-INIZCTEOSA-N 0 3 459.363 4.611 20 0 JJADHN O=C(CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccc(Br)cc1F ZINC001460185711 1067574347 /nfs/dbraw/zinc/57/43/47/1067574347.db2.gz NZJDHTILTXOMLJ-XZOQPEGZSA-N 0 3 457.343 4.981 20 0 JJADHN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC001460191936 1067575780 /nfs/dbraw/zinc/57/57/80/1067575780.db2.gz BDZUYZKGMIWCCK-CQSZACIVSA-N 0 3 454.771 4.781 20 0 JJADHN C[C@@H](N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001460237002 1067587240 /nfs/dbraw/zinc/58/72/40/1067587240.db2.gz SUNVSPSFPUDECK-MDASCCDHSA-N 0 3 459.434 4.652 20 0 JJADHN C[C@@H]1C[C@@H](C)N(CCc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1CNC(=O)OC(C)(C)C ZINC001460269625 1067594407 /nfs/dbraw/zinc/59/44/07/1067594407.db2.gz GJBMPBXBYPYULM-ZHALLVOQSA-N 0 3 453.023 4.915 20 0 JJADHN COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460273430 1067595474 /nfs/dbraw/zinc/59/54/74/1067595474.db2.gz FAPYYZWQRXMGIR-BJKOFHAPSA-N 0 3 480.511 4.974 20 0 JJADHN Cc1ccc(S(=O)(=O)N[C@@H](CCN2CC[C@H](Oc3ccccc3)C2)c2ccccc2)cc1 ZINC001460300735 1067601875 /nfs/dbraw/zinc/60/18/75/1067601875.db2.gz YONVYCDMCWZGEG-AHWVRZQESA-N 0 3 450.604 4.558 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC001460319344 1067607366 /nfs/dbraw/zinc/60/73/66/1067607366.db2.gz VSUPHYVFYDPHCA-MISYRCLQSA-N 0 3 456.599 4.984 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001460327865 1067609486 /nfs/dbraw/zinc/60/94/86/1067609486.db2.gz YVWXQIXKLUKATP-RPBOFIJWSA-N 0 3 451.630 4.844 20 0 JJADHN CCOc1ccc(NC(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001460394883 1067625768 /nfs/dbraw/zinc/62/57/68/1067625768.db2.gz ZEGLJAQHLIFWRU-DHIUTWEWSA-N 0 3 471.573 4.546 20 0 JJADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(OCCCOc2ccccc2)c1 ZINC001460399237 1067626911 /nfs/dbraw/zinc/62/69/11/1067626911.db2.gz CZOXSVLAEWZPRH-RUZDIDTESA-N 0 3 458.602 4.987 20 0 JJADHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(OCCCOc2ccccc2)c1 ZINC001460399241 1067627003 /nfs/dbraw/zinc/62/70/03/1067627003.db2.gz CZOXSVLAEWZPRH-VWLOTQADSA-N 0 3 458.602 4.987 20 0 JJADHN CC1CCC(N(C(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C2CC2)CC1 ZINC001460405361 1067628304 /nfs/dbraw/zinc/62/83/04/1067628304.db2.gz HJBYUCPKBVPAHQ-KQSOVEGDSA-N 0 3 469.670 4.939 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)C1 ZINC001460421239 1067632281 /nfs/dbraw/zinc/63/22/81/1067632281.db2.gz WKMCHPMYJYZNDJ-DAYGRLMNSA-N 0 3 480.285 4.852 20 0 JJADHN C[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001460454286 1067637607 /nfs/dbraw/zinc/63/76/07/1067637607.db2.gz MBBMYEPWBHTMPZ-AHRSYUTCSA-N 0 3 455.437 4.888 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512680 1067647150 /nfs/dbraw/zinc/64/71/50/1067647150.db2.gz VOJIZTAJIHLXBH-LJQANCHMSA-N 0 3 452.824 4.991 20 0 JJADHN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460703595 1067704846 /nfs/dbraw/zinc/70/48/46/1067704846.db2.gz CGUAISRLWDXDOQ-FQEVSTJZSA-N 0 3 458.021 4.861 20 0 JJADHN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708700 1067705694 /nfs/dbraw/zinc/70/56/94/1067705694.db2.gz NOQWQFMXOANLTH-RUZDIDTESA-N 0 3 456.030 4.619 20 0 JJADHN C[C@H](CSc1ccccc1)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460708451 1067705839 /nfs/dbraw/zinc/70/58/39/1067705839.db2.gz MCMPXDRCIWYUOX-HXUWFJFHSA-N 0 3 458.071 4.881 20 0 JJADHN CC(C)(C)Oc1cccc(C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC001460711416 1067706854 /nfs/dbraw/zinc/70/68/54/1067706854.db2.gz UONHAZBHPNKSOL-UHFFFAOYSA-N 0 3 456.030 4.944 20 0 JJADHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@]2(C)CCOc3ccccc32)cc1 ZINC001460826323 1067730517 /nfs/dbraw/zinc/73/05/17/1067730517.db2.gz ZBZFROHQFWHRHS-HHHXNRCGSA-N 0 3 459.546 4.564 20 0 JJADHN Cc1cc2oc(=O)cc(CN(C)C3(CNC(=O)OC(C)(C)C)CCOCC3)c2cc1C(C)C ZINC001460853106 1067734655 /nfs/dbraw/zinc/73/46/55/1067734655.db2.gz MVFNWPJKTPPZOA-UHFFFAOYSA-N 0 3 458.599 4.731 20 0 JJADHN C[C@H](NC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001460889572 1067743819 /nfs/dbraw/zinc/74/38/19/1067743819.db2.gz SZTUEISYUOOTHT-TWXAQOBRSA-N 0 3 451.611 4.594 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@H](C)Cc1cccnc1 ZINC001460928571 1067750064 /nfs/dbraw/zinc/75/00/64/1067750064.db2.gz HCLUCXUFSHTMAT-OAHLLOKOSA-N 0 3 457.983 4.800 20 0 JJADHN Cn1ccnc1COc1ccc(CN2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC001460952264 1067752728 /nfs/dbraw/zinc/75/27/28/1067752728.db2.gz UIMVQDSBVTUMPP-AREMUKBSSA-N 0 3 454.615 4.755 20 0 JJADHN CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460953657 1067753175 /nfs/dbraw/zinc/75/31/75/1067753175.db2.gz ZDJVEWAWKIADHP-OAHLLOKOSA-N 0 3 458.430 4.892 20 0 JJADHN CC(C)(C)OC(=O)NC[C@]12CN(CCOc3ccccc3Br)C[C@@H]1CCCC2 ZINC001460969501 1067754553 /nfs/dbraw/zinc/75/45/53/1067754553.db2.gz CYWXAMMFCIAHPN-HTAPYJJXSA-N 0 3 453.421 4.845 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001460995502 1067759796 /nfs/dbraw/zinc/75/97/96/1067759796.db2.gz QFOOGCCTYHBRHE-XMMPIXPASA-N 0 3 456.993 4.504 20 0 JJADHN O=S(=O)(CCCNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccccc1 ZINC001461168102 1067792079 /nfs/dbraw/zinc/79/20/79/1067792079.db2.gz NQTSFOOAIKYYMH-QGZVFWFLSA-N 0 3 455.420 4.512 20 0 JJADHN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H]1CCN(c2ccccc2Br)C1 ZINC001461215390 1067801028 /nfs/dbraw/zinc/80/10/28/1067801028.db2.gz HRSDCXLYTFPOBW-AWEZNQCLSA-N 0 3 453.306 4.723 20 0 JJADHN CCCC(O)(CCC)CNCc1cc(I)c(Br)cc1F ZINC001461223519 1067803530 /nfs/dbraw/zinc/80/35/30/1067803530.db2.gz DZBIYYNQPVPVPH-UHFFFAOYSA-N 0 3 458.153 4.614 20 0 JJADHN Cc1nn(-c2ccccc2Br)cc1CN[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001461239575 1067807472 /nfs/dbraw/zinc/80/74/72/1067807472.db2.gz REYVNTCNJGJYDW-RBZFPXEDSA-N 0 3 452.755 4.947 20 0 JJADHN Cc1cc(Br)c(CNCCCNC(=O)c2ccccc2F)cc1Br ZINC001461263683 1067813585 /nfs/dbraw/zinc/81/35/85/1067813585.db2.gz LGTWRFZOTJDWLK-UHFFFAOYSA-N 0 3 458.169 4.569 20 0 JJADHN C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNCc2cnc3ccc(Br)cn23)cc1 ZINC001461286002 1067818139 /nfs/dbraw/zinc/81/81/39/1067818139.db2.gz SOVRIIDBTCVEJR-HNNXBMFYSA-N 0 3 459.388 4.972 20 0 JJADHN CCO[C@@H]1C[C@@](CO)(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1(C)C ZINC001461430823 1067854336 /nfs/dbraw/zinc/85/43/36/1067854336.db2.gz ADHOPOXBLLRBHN-OFNKIYASSA-N 0 3 451.394 4.901 20 0 JJADHN OC[C@@H](CNCc1oc2ccccc2c1Br)Cc1ccccc1Br ZINC001461431035 1067854551 /nfs/dbraw/zinc/85/45/51/1067854551.db2.gz KPRXLVGAPXXUHB-CYBMUJFWSA-N 0 3 453.174 4.899 20 0 JJADHN Cn1ncc(Br)c1CNCCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC001461456558 1067861177 /nfs/dbraw/zinc/86/11/77/1067861177.db2.gz LMFSXUFATZJLOM-UHFFFAOYSA-N 0 3 452.784 4.779 20 0 JJADHN Cc1ccc(CNCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c(C)c1Br ZINC001461501166 1067877404 /nfs/dbraw/zinc/87/74/04/1067877404.db2.gz HRDAVNQHHKDTNG-QHCPKHFHSA-N 0 3 456.384 4.581 20 0 JJADHN Fc1cccc(-c2ccc(CNc3cc(N4CCOCC4)c(Br)cn3)o2)c1F ZINC001461582461 1067893569 /nfs/dbraw/zinc/89/35/69/1067893569.db2.gz OYAUKFRXOOEEMQ-UHFFFAOYSA-N 0 3 450.283 4.831 20 0 JJADHN CN1CCN(CCCOc2ccc(NCc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)CC1 ZINC001461623378 1067903632 /nfs/dbraw/zinc/90/36/32/1067903632.db2.gz MPWWJCHOYIXTPN-UHFFFAOYSA-N 0 3 454.615 4.662 20 0 JJADHN COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c(F)c1OC ZINC001461625517 1067904382 /nfs/dbraw/zinc/90/43/82/1067904382.db2.gz JVVCLONFQPWZQF-WOJBJXKFSA-N 0 3 462.537 4.865 20 0 JJADHN CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)C(C[C@@H]1CCCO1)C(F)(F)F)CCC2 ZINC001461632874 1067905955 /nfs/dbraw/zinc/90/59/55/1067905955.db2.gz MPGXXVKPSHWTHH-ZWKOTPCHSA-N 0 3 456.505 4.738 20 0 JJADHN CCCCOc1c(Cl)cc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1OCC ZINC001461634193 1067906333 /nfs/dbraw/zinc/90/63/33/1067906333.db2.gz OIIJJMCEEGWKIR-LJQANCHMSA-N 0 3 453.023 4.633 20 0 JJADHN CCCOc1ccc(Br)cc1CNC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001461648725 1067909405 /nfs/dbraw/zinc/90/94/05/1067909405.db2.gz VTECNKCIBLLZLD-FQEVSTJZSA-N 0 3 453.808 4.886 20 0 JJADHN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCC1(O)CCN(c2ccccc2)CC1 ZINC001461687794 1067918259 /nfs/dbraw/zinc/91/82/59/1067918259.db2.gz VAYQCDMGVIBCCX-UHFFFAOYSA-N 0 3 459.421 4.999 20 0 JJADHN Cc1ccc(CN2CCO[C@H](CNCc3cccc(OCc4ccc(F)cc4F)c3)C2)cc1 ZINC001461693803 1067919632 /nfs/dbraw/zinc/91/96/32/1067919632.db2.gz GKACBNBYPQFZIJ-AREMUKBSSA-N 0 3 452.545 4.843 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CNC[C@@H](O)Cc3ccc(F)cc3)n2)cc1 ZINC001461756872 1067931388 /nfs/dbraw/zinc/93/13/88/1067931388.db2.gz WMVWPHKVIQWCPP-QHCPKHFHSA-N 0 3 451.542 4.928 20 0 JJADHN C[C@@H]1CCC[C@H](N(Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033303 1067985047 /nfs/dbraw/zinc/98/50/47/1067985047.db2.gz MEVCQDZGHRXABV-FGSXEWAUSA-N 0 3 455.599 4.931 20 0 JJADHN COC(=O)[C@](C)(CNCc1cc(Br)c(C)cc1Br)c1ccccc1 ZINC001462097960 1068001557 /nfs/dbraw/zinc/00/15/57/1068001557.db2.gz YVNOIELLLKNKPB-LJQANCHMSA-N 0 3 455.190 4.741 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC001462106100 1068004155 /nfs/dbraw/zinc/00/41/55/1068004155.db2.gz IKPYQQSHABVBRF-PZJWPPBQSA-N 0 3 458.455 4.650 20 0 JJADHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001462109290 1068005871 /nfs/dbraw/zinc/00/58/71/1068005871.db2.gz HCCPYIWJIWUVRM-FQEVSTJZSA-N 0 3 450.608 4.582 20 0 JJADHN Cc1nn(-c2cccc(Br)c2)cc1CN(C[C@@H](O)COc1ccccc1)C(C)C ZINC001462154572 1068017831 /nfs/dbraw/zinc/01/78/31/1068017831.db2.gz IZXZIADUXQMOEH-JOCHJYFZSA-N 0 3 458.400 4.594 20 0 JJADHN Cc1c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001462232600 1068034246 /nfs/dbraw/zinc/03/42/46/1068034246.db2.gz UBMDXJRUQXDKTH-JOCHJYFZSA-N 0 3 456.512 4.984 20 0 JJADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001462234202 1068034975 /nfs/dbraw/zinc/03/49/75/1068034975.db2.gz YYJXHUXJYLMTES-XMMPIXPASA-N 0 3 451.014 4.986 20 0 JJADHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NCc2ccc(COc3ccc(F)cc3)cc2)C1 ZINC001462382126 1068063474 /nfs/dbraw/zinc/06/34/74/1068063474.db2.gz NOKSSTUBJPYGTQ-UHFFFAOYSA-N 0 3 457.542 4.546 20 0 JJADHN C[C@@H]1CN(Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442339 1068074973 /nfs/dbraw/zinc/07/49/73/1068074973.db2.gz QROFWFJITDBHMD-VQIMIIECSA-N 0 3 450.645 4.841 20 0 JJADHN CCOc1cc(CNCc2cccc(COC[C@@H]3CCCO3)c2)cc(Br)c1O ZINC001462446327 1068076075 /nfs/dbraw/zinc/07/60/75/1068076075.db2.gz OZGFJHNFIFQMJN-IBGZPJMESA-N 0 3 450.373 4.539 20 0 JJADHN CCOc1cc(CNCc2cccc(COC[C@H]3CCCO3)c2)cc(Br)c1O ZINC001462446342 1068076446 /nfs/dbraw/zinc/07/64/46/1068076446.db2.gz OZGFJHNFIFQMJN-LJQANCHMSA-N 0 3 450.373 4.539 20 0 JJADHN COc1cc(Br)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1O ZINC001462495886 1068085180 /nfs/dbraw/zinc/08/51/80/1068085180.db2.gz NXEPZHWSRPYTDR-HNNXBMFYSA-N 0 3 457.409 4.679 20 0 JJADHN CC(C)(C)OC(=O)Nc1ccc(-c2cccc(CN3CCC4(CC3)C[C@@H](O)CCO4)n2)cc1 ZINC001462607689 1068110782 /nfs/dbraw/zinc/11/07/82/1068110782.db2.gz YGQFUPYNFQBENB-QFIPXVFZSA-N 0 3 453.583 4.602 20 0 JJADHN CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001462947673 1068225139 /nfs/dbraw/zinc/22/51/39/1068225139.db2.gz TWAGMGYAEMDSKI-OAQYLSRUSA-N 0 3 459.556 4.801 20 0 JJADHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)c1ccccc1 ZINC001463019098 1068253771 /nfs/dbraw/zinc/25/37/71/1068253771.db2.gz HROIBYPJTLHEGM-CYBMUJFWSA-N 0 3 450.910 4.646 20 0 JJADHN C[C@H]([NH2+]C1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1)c1ccccc1 ZINC001463034962 1068258047 /nfs/dbraw/zinc/25/80/47/1068258047.db2.gz KIYOMUVDTXHQGA-HNNXBMFYSA-N 0 3 455.393 4.530 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](C)Oc2cccc(C)c2)cc1 ZINC001463126385 1068296243 /nfs/dbraw/zinc/29/62/43/1068296243.db2.gz DXZDPYKURVQNJG-MXSCXNJPSA-N 0 3 478.658 4.658 20 0 JJADHN CCCCCOc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC001463226637 1068327277 /nfs/dbraw/zinc/32/72/77/1068327277.db2.gz SSNYDHIYTBWPSJ-AREMUKBSSA-N 0 3 456.652 4.932 20 0 JJADHN CCCN(C(=O)c1nn(-c2c(F)cccc2F)cc1C)C1CCN(Cc2ccccc2)CC1 ZINC001463365055 1068372981 /nfs/dbraw/zinc/37/29/81/1068372981.db2.gz MRGYNOFFMDUJHT-UHFFFAOYSA-N 0 3 452.549 4.976 20 0 JJADHN CS[C@H]1CCCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463375541 1068376836 /nfs/dbraw/zinc/37/68/36/1068376836.db2.gz INNNZQGGOYBWPK-CCDWMCETSA-N 0 3 458.693 4.510 20 0 JJADHN C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001463568415 1068449010 /nfs/dbraw/zinc/44/90/10/1068449010.db2.gz SPOWPKHHNZUKHZ-FQEVSTJZSA-N 0 3 459.556 4.697 20 0 JJADHN CCc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)N(C)C)cc1 ZINC001463764006 1068516697 /nfs/dbraw/zinc/51/66/97/1068516697.db2.gz PFNUYOMGMCXGRU-QFIPXVFZSA-N 0 3 455.400 4.538 20 0 JJADHN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@H](Cc3ccccc3)N(C)C)cc12 ZINC001463767809 1068517821 /nfs/dbraw/zinc/51/78/21/1068517821.db2.gz DHJZJVYACRGLMY-SFHVURJKSA-N 0 3 453.011 4.952 20 0 JJADHN CN(C)[C@H](CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770382 1068519172 /nfs/dbraw/zinc/51/91/72/1068519172.db2.gz MMDJDWKUZKSSSL-GOTSBHOMSA-N 0 3 453.627 4.568 20 0 JJADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001463830476 1068540046 /nfs/dbraw/zinc/54/00/46/1068540046.db2.gz LRECYXCJROIBPI-XMMPIXPASA-N 0 3 459.011 4.638 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001464097862 1068613980 /nfs/dbraw/zinc/61/39/80/1068613980.db2.gz CWDWBJUCULQFKB-QFIPXVFZSA-N 0 3 451.508 4.743 20 0 JJADHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(Br)cc(C)c3C)CC2)c1 ZINC001464100549 1068615373 /nfs/dbraw/zinc/61/53/73/1068615373.db2.gz KIISLBKBIWYNJM-UHFFFAOYSA-N 0 3 458.444 4.707 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C(=O)OC)cc2)CC1 ZINC001464125991 1068624319 /nfs/dbraw/zinc/62/43/19/1068624319.db2.gz QUWIMHCDAIISGU-UHFFFAOYSA-N 0 3 457.574 4.530 20 0 JJADHN O=C(Nc1ccccc1C(=O)NCC1(N2CCSCC2)CCCC1)OCc1ccccc1 ZINC001464132244 1068627722 /nfs/dbraw/zinc/62/77/22/1068627722.db2.gz JTJOWGVKXRIPML-UHFFFAOYSA-N 0 3 453.608 4.527 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1cc(I)cc(C)c1C)c1ccsc1 ZINC001464139521 1068631774 /nfs/dbraw/zinc/63/17/74/1068631774.db2.gz LDABXSVJHWVGNQ-GOSISDBHSA-N 0 3 456.393 4.782 20 0 JJADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001464281080 1068689332 /nfs/dbraw/zinc/68/93/32/1068689332.db2.gz KWNGEBBKMDATRZ-ISKFKSNPSA-N 0 3 458.021 4.687 20 0 JJADHN CN(Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCCCC1 ZINC001464442164 1068747287 /nfs/dbraw/zinc/74/72/87/1068747287.db2.gz VLYFJNWGHCKRHO-UHFFFAOYSA-N 0 3 454.558 4.905 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccn(CCc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC001464491528 1068765225 /nfs/dbraw/zinc/76/52/25/1068765225.db2.gz FOMHPKRWKZYWEQ-QHCPKHFHSA-N 0 3 458.528 4.958 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464505912 1068767947 /nfs/dbraw/zinc/76/79/47/1068767947.db2.gz PLLUJRJGJNFGIC-QHCPKHFHSA-N 0 3 457.590 4.762 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)N2CCCC2)cc1 ZINC001464583283 1068790971 /nfs/dbraw/zinc/79/09/71/1068790971.db2.gz IJCGIGBFWGOHEL-FQEVSTJZSA-N 0 3 454.368 4.578 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001464637910 1068806822 /nfs/dbraw/zinc/80/68/22/1068806822.db2.gz GPNLCCUOKSCJQE-OAQYLSRUSA-N 0 3 458.002 4.769 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC2)CC1 ZINC001164616473 719034195 /nfs/dbraw/zinc/03/41/95/719034195.db2.gz CXXFTRWWPVWRTI-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN Cc1nc2c(cc(-c3nc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)ncc3F)cc2F)n1C(C)C ZINC001164730995 720384875 /nfs/dbraw/zinc/38/48/75/720384875.db2.gz XSHDXGOUZCBFCT-DHIUTWEWSA-N 0 3 489.574 4.909 20 0 JJADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730894 720409190 /nfs/dbraw/zinc/40/91/90/720409190.db2.gz JNSBFXXWLAAXPI-YADHBBJMSA-N 0 3 480.971 4.966 20 0 JJADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC001164730924 720434845 /nfs/dbraw/zinc/43/48/45/720434845.db2.gz JUBFXCZRUVUPTN-FGZHOGPDSA-N 0 3 468.630 4.880 20 0 JJADHN CSCc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCN4Cc2cccnc2)n1)CCCC3 ZINC001164734815 720440414 /nfs/dbraw/zinc/44/04/14/720440414.db2.gz UWDROGNGWYYASM-RBUKOAKNSA-N 0 3 451.665 4.681 20 0 JJADHN Clc1nc(-c2ccccc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1-c1ccccc1 ZINC001164742582 720693668 /nfs/dbraw/zinc/69/36/68/720693668.db2.gz VUJGFMLUNJLSOZ-FCHUYYIVSA-N 0 3 484.991 4.596 20 0 JJADHN COC[C@@]12CCC[C@@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849626 720790137 /nfs/dbraw/zinc/79/01/37/720790137.db2.gz SEHRAJBHVSGWHJ-IBVKSMDESA-N 0 3 482.024 4.650 20 0 JJADHN COC[C@@]12CCC[C@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164849622 720790164 /nfs/dbraw/zinc/79/01/64/720790164.db2.gz SEHRAJBHVSGWHJ-FNZWTVRRSA-N 0 3 482.024 4.650 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164772189 721098587 /nfs/dbraw/zinc/09/85/87/721098587.db2.gz USJGUILZEMCVQF-PMACEKPBSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164772193 721100834 /nfs/dbraw/zinc/10/08/34/721100834.db2.gz USJGUILZEMCVQF-WOJBJXKFSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)nc5cc(Cl)ccc54)C[C@@H]3C2)cn1 ZINC001164763379 721153158 /nfs/dbraw/zinc/15/31/58/721153158.db2.gz FJEJLZFHFIZNQR-PMACEKPBSA-N 0 3 476.987 4.781 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164767652 721172231 /nfs/dbraw/zinc/17/22/31/721172231.db2.gz KHMGGSPMTIGESS-OALUTQOASA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccccc5)nc(-c5cccs5)n4)C[C@@H]3C2)cn1 ZINC001164764236 721215743 /nfs/dbraw/zinc/21/57/43/721215743.db2.gz GPBDANDZMMXRAY-VXKWHMMOSA-N 0 3 456.619 4.564 20 0 JJADHN COc1ccc2c(c1)nc(N1CC[C@@]3(C1)CCC[C@H](CN1CCN(C)CC1)O3)cc2-c1ccccc1 ZINC001164898348 721434581 /nfs/dbraw/zinc/43/45/81/721434581.db2.gz VTJKIZXKHANZFB-FYBSXPHGSA-N 0 3 486.660 4.676 20 0 JJADHN FC1(F)CCN(c2cc(-c3ccnc(Cl)c3)ccn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907489 721694674 /nfs/dbraw/zinc/69/46/74/721694674.db2.gz UKMIDLXVMSDGNG-HSZRJFAPSA-N 0 3 455.940 4.930 20 0 JJADHN FC1(F)CCN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906130 721696652 /nfs/dbraw/zinc/69/66/52/721696652.db2.gz LQOJYUVBRSIVHS-NDEPHWFRSA-N 0 3 489.614 4.773 20 0 JJADHN FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904807 721705423 /nfs/dbraw/zinc/70/54/23/721705423.db2.gz DFBDNTSJNXHAQM-HSZRJFAPSA-N 0 3 455.940 4.930 20 0 JJADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908226 721708864 /nfs/dbraw/zinc/70/88/64/721708864.db2.gz WMRHWFYKGSGCQX-AREMUKBSSA-N 0 3 492.549 4.751 20 0 JJADHN FC1(F)CCN(c2nc(-c3ccccn3)nc3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904281 721724145 /nfs/dbraw/zinc/72/41/45/721724145.db2.gz BFTLIAOSJJWYLP-AREMUKBSSA-N 0 3 472.543 4.825 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962935 722057970 /nfs/dbraw/zinc/05/79/70/722057970.db2.gz FZAUZCIDXINCNU-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984711 722106793 /nfs/dbraw/zinc/10/67/93/722106793.db2.gz UDGMJYSBFYJBHA-OXJNMPFZSA-N 0 3 494.373 4.604 20 0 JJADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982860 722108210 /nfs/dbraw/zinc/10/82/10/722108210.db2.gz PNKVMCYRRVTBTD-AJTFRIOCSA-N 0 3 499.590 4.567 20 0 JJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985051 722138771 /nfs/dbraw/zinc/13/87/71/722138771.db2.gz YXZZDVIVEQDSBA-REWPJTCUSA-N 0 3 475.593 4.620 20 0 JJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164985049 722139211 /nfs/dbraw/zinc/13/92/11/722139211.db2.gz YXZZDVIVEQDSBA-OFNKIYASSA-N 0 3 475.593 4.620 20 0 JJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164973234 722141446 /nfs/dbraw/zinc/14/14/46/722141446.db2.gz BNVAKLATDQXLAJ-TZIWHRDSSA-N 0 3 477.659 4.851 20 0 JJADHN Cc1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983319 722141799 /nfs/dbraw/zinc/14/17/99/722141799.db2.gz UCNXKVHZNLULPX-DHIUTWEWSA-N 0 3 471.630 4.789 20 0 JJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164980919 722148728 /nfs/dbraw/zinc/14/87/28/722148728.db2.gz NTQXWRVMVLDZLT-XUZZJYLKSA-N 0 3 464.013 4.536 20 0 JJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976259 722153721 /nfs/dbraw/zinc/15/37/21/722153721.db2.gz WJWJSARZHBIQEH-LAUBAEHRSA-N 0 3 458.940 4.597 20 0 JJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976260 722154025 /nfs/dbraw/zinc/15/40/25/722154025.db2.gz WJWJSARZHBIQEH-UTKZUKDTSA-N 0 3 458.940 4.597 20 0 JJADHN Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164971673 722154452 /nfs/dbraw/zinc/15/44/52/722154452.db2.gz CXKCKCIYXQRMSN-GCJKJVERSA-N 0 3 486.403 4.698 20 0 JJADHN Clc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164971678 722154646 /nfs/dbraw/zinc/15/46/46/722154646.db2.gz CXKCKCIYXQRMSN-XMSQKQJNSA-N 0 3 486.403 4.698 20 0 JJADHN CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973992 722155324 /nfs/dbraw/zinc/15/53/24/722155324.db2.gz NUYBPVHSNNGFMV-ZJSXRUAMSA-N 0 3 480.012 4.607 20 0 JJADHN CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973006 722155374 /nfs/dbraw/zinc/15/53/74/722155374.db2.gz JRXNCSQAYWFLEC-ZJSXRUAMSA-N 0 3 480.012 4.607 20 0 JJADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164972466 722158008 /nfs/dbraw/zinc/15/80/08/722158008.db2.gz HXNYTNOBIHAFRX-XUZZJYLKSA-N 0 3 499.993 4.773 20 0 JJADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971570 722158695 /nfs/dbraw/zinc/15/86/95/722158695.db2.gz BSTRDMCODGEIMK-CVDCTZTESA-N 0 3 476.999 4.671 20 0 JJADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001545850852 1064261894 /nfs/dbraw/zinc/26/18/94/1064261894.db2.gz SAXUWBMZFTZMMJ-OFVILXPXSA-N 0 3 450.966 4.745 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001545862762 1064271406 /nfs/dbraw/zinc/27/14/06/1064271406.db2.gz RUUYRAXBJXBBBQ-VWNXMTODSA-N 0 3 480.701 4.906 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001545879863 1064295739 /nfs/dbraw/zinc/29/57/39/1064295739.db2.gz IHYICXYBOLBHOV-FQEVSTJZSA-N 0 3 453.583 4.705 20 0 JJADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1csc(N(C)c2ccccc2)n1 ZINC001545880289 1064296203 /nfs/dbraw/zinc/29/62/03/1064296203.db2.gz WIAITDBHWFBPAW-NRFANRHFSA-N 0 3 450.608 4.743 20 0 JJADHN Cc1cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)nn1-c1ccc(Br)cc1 ZINC001434883974 1064315881 /nfs/dbraw/zinc/31/58/81/1064315881.db2.gz QCUPZDUPGWFAEG-PXNSSMCTSA-N 0 3 453.384 4.509 20 0 JJADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC001434885820 1064317560 /nfs/dbraw/zinc/31/75/60/1064317560.db2.gz WWRIMZBPLZBCAW-RVKKMQEKSA-N 0 3 451.792 4.822 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001434885812 1064317844 /nfs/dbraw/zinc/31/78/44/1064317844.db2.gz WWRIMZBPLZBCAW-MPGHIAIKSA-N 0 3 451.792 4.822 20 0 JJADHN O=C(Cc1cc(Br)ccc1Cl)Nc1ccc(CCN2CCSCC2)cc1 ZINC001434921892 1064349562 /nfs/dbraw/zinc/34/95/62/1064349562.db2.gz MQANLHGPZMVQCS-UHFFFAOYSA-N 0 3 453.833 4.875 20 0 JJADHN CN(C)CCN(C(=O)CC1(CNC(=O)OCc2ccccc2)CCCCC1)c1ccccc1 ZINC001434923166 1064351391 /nfs/dbraw/zinc/35/13/91/1064351391.db2.gz ACJOYXGNIBNUHS-UHFFFAOYSA-N 0 3 451.611 4.848 20 0 JJADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cccn3-c3c(Cl)cccc3Cl)cc21 ZINC001434931436 1064358389 /nfs/dbraw/zinc/35/83/89/1064358389.db2.gz SYCYLJVNWSLWBY-UHFFFAOYSA-N 0 3 459.333 4.506 20 0 JJADHN CC(C)CC(=O)Nc1cccc(Cn2c(CC3CC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001359765222 1064386819 /nfs/dbraw/zinc/38/68/19/1064386819.db2.gz SGPCUJUYFWQIFR-UHFFFAOYSA-N 0 3 480.701 4.822 20 0 JJADHN CC(C)Cc1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001359795892 1064454495 /nfs/dbraw/zinc/45/44/95/1064454495.db2.gz QQPOLOSEPIRPOE-UHFFFAOYSA-N 0 3 464.702 4.872 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435062108 1064480743 /nfs/dbraw/zinc/48/07/43/1064480743.db2.gz DEFRIBBHPUIOEW-KNQAVFIVSA-N 0 3 451.355 4.595 20 0 JJADHN Cc1ccc(-n2nc(C(=O)N(CCN(C)C)Cc3cccc(Cl)c3)c3c2CCCC3)cc1 ZINC001435062734 1064480880 /nfs/dbraw/zinc/48/08/80/1064480880.db2.gz IAGLBUDKBLXONK-UHFFFAOYSA-N 0 3 451.014 4.917 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435062113 1064480913 /nfs/dbraw/zinc/48/09/13/1064480913.db2.gz DEFRIBBHPUIOEW-UGKGYDQZSA-N 0 3 451.355 4.595 20 0 JJADHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CCN(C)C)Cc3cccc(F)c3)cc12 ZINC001435062124 1064480939 /nfs/dbraw/zinc/48/09/39/1064480939.db2.gz DHEKTSSWACPMKJ-UHFFFAOYSA-N 0 3 454.546 4.878 20 0 JJADHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1Br ZINC001435063030 1064481789 /nfs/dbraw/zinc/48/17/89/1064481789.db2.gz BVZWRKARKQZYQZ-UHFFFAOYSA-N 0 3 453.808 4.634 20 0 JJADHN Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2F)nnn1-c1ccc(-c2ccccc2)cc1 ZINC001435063753 1064482704 /nfs/dbraw/zinc/48/27/04/1064482704.db2.gz KSBIALDTTGZQOM-UHFFFAOYSA-N 0 3 457.553 4.586 20 0 JJADHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)ccc1Br ZINC001435064457 1064483393 /nfs/dbraw/zinc/48/33/93/1064483393.db2.gz OHSNTGLGRJMVSJ-UHFFFAOYSA-N 0 3 459.306 4.681 20 0 JJADHN Cc1c(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)nnn1-c1ccccc1Cl ZINC001435068524 1064489316 /nfs/dbraw/zinc/48/93/16/1064489316.db2.gz QTLZCPRLOOJHHS-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN CC(C)Cc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001359815761 1064497075 /nfs/dbraw/zinc/49/70/75/1064497075.db2.gz UQEKDAPRUTZSKJ-FQEVSTJZSA-N 0 3 489.636 4.607 20 0 JJADHN CC(C)Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001359823060 1064505053 /nfs/dbraw/zinc/50/50/53/1064505053.db2.gz MJHQMIOISHHUJG-OAQYLSRUSA-N 0 3 456.997 4.530 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1F ZINC001359846848 1064533111 /nfs/dbraw/zinc/53/31/11/1064533111.db2.gz CFDPPUCOPHPRIV-UHFFFAOYSA-N 0 3 458.169 4.555 20 0 JJADHN C[C@@H](Sc1ccc(Br)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001359852391 1064539608 /nfs/dbraw/zinc/53/96/08/1064539608.db2.gz YMQCJDYCHQBCLA-CQSZACIVSA-N 0 3 457.384 4.798 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1nc2cccc(Cl)c2n1C ZINC001359859362 1064547085 /nfs/dbraw/zinc/54/70/85/1064547085.db2.gz BRWCYMKGCWHQKI-UHFFFAOYSA-N 0 3 472.081 4.623 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC001435188769 1064578090 /nfs/dbraw/zinc/57/80/90/1064578090.db2.gz NUMPJVLWQXLZOM-AZGAKELHSA-N 0 3 457.574 4.612 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207839 1064592587 /nfs/dbraw/zinc/59/25/87/1064592587.db2.gz MYLHKBCMWKOOEC-QPPBQGQZSA-N 0 3 457.659 4.973 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435207840 1064592652 /nfs/dbraw/zinc/59/26/52/1064592652.db2.gz MYLHKBCMWKOOEC-URXFXBBRSA-N 0 3 457.659 4.973 20 0 JJADHN CC(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001359933408 1064674544 /nfs/dbraw/zinc/67/45/44/1064674544.db2.gz RRMKFNRPVBCHPP-VQTJNVASSA-N 0 3 476.065 4.807 20 0 JJADHN CC(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001359940581 1064685076 /nfs/dbraw/zinc/68/50/76/1064685076.db2.gz MLFQHIXJJAMXIY-UHFFFAOYSA-N 0 3 490.737 4.997 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001359954397 1064719535 /nfs/dbraw/zinc/71/95/35/1064719535.db2.gz GMNRRFMWLBEJQP-UHFFFAOYSA-N 0 3 469.674 4.596 20 0 JJADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)cc1 ZINC001359955232 1064724013 /nfs/dbraw/zinc/72/40/13/1064724013.db2.gz SDTPPTBVUSGKFQ-HHHXNRCGSA-N 0 3 469.674 4.860 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001360014987 1064813828 /nfs/dbraw/zinc/81/38/28/1064813828.db2.gz LNZBFQWSGZZGON-ZBLYBZFDSA-N 0 3 487.664 4.667 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360015993 1064814595 /nfs/dbraw/zinc/81/45/95/1064814595.db2.gz VMYANOIOCIBDHT-QUCCMNQESA-N 0 3 460.464 4.922 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360015994 1064814661 /nfs/dbraw/zinc/81/46/61/1064814661.db2.gz VMYANOIOCIBDHT-UYAOXDASSA-N 0 3 460.464 4.922 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)CC1 ZINC001360017367 1064817796 /nfs/dbraw/zinc/81/77/96/1064817796.db2.gz DYLPWYJTSWZNMD-UHFFFAOYSA-N 0 3 451.457 4.640 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001360017312 1064817813 /nfs/dbraw/zinc/81/78/13/1064817813.db2.gz CWNCKIILYLCWQL-WOJBJXKFSA-N 0 3 477.600 4.530 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCSC2)CC1 ZINC001360018905 1064821176 /nfs/dbraw/zinc/82/11/76/1064821176.db2.gz YJSCRKRKXZFNDS-MRXNPFEDSA-N 0 3 454.471 4.783 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001360021856 1064826068 /nfs/dbraw/zinc/82/60/68/1064826068.db2.gz UGVXGGPWOMMGDO-UHFFFAOYSA-N 0 3 491.080 4.634 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001360024887 1064827431 /nfs/dbraw/zinc/82/74/31/1064827431.db2.gz NIJBMMUEYKMKJE-DNVJHFABSA-N 0 3 488.721 4.607 20 0 JJADHN CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1 ZINC001360026780 1064828365 /nfs/dbraw/zinc/82/83/65/1064828365.db2.gz GYMFANSJPZDLLR-UHFFFAOYSA-N 0 3 459.631 4.506 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001360027838 1064829309 /nfs/dbraw/zinc/82/93/09/1064829309.db2.gz RIGTZSPQNALFMS-UHFFFAOYSA-N 0 3 467.580 4.634 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001360032066 1064834559 /nfs/dbraw/zinc/83/45/59/1064834559.db2.gz SDNKBCJUQURFFR-XNMGPUDCSA-N 0 3 467.702 4.683 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360032065 1064834701 /nfs/dbraw/zinc/83/47/01/1064834701.db2.gz SDNKBCJUQURFFR-VPUSJEBWSA-N 0 3 467.702 4.683 20 0 JJADHN CC(C)CN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)CC1 ZINC001360034307 1064838135 /nfs/dbraw/zinc/83/81/35/1064838135.db2.gz SPWRHGSBKYMRAT-HSZRJFAPSA-N 0 3 464.079 4.571 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001360034517 1064839252 /nfs/dbraw/zinc/83/92/52/1064839252.db2.gz BWJABNITRWMVRB-UHFFFAOYSA-N 0 3 453.411 4.843 20 0 JJADHN O=C(c1cc(COc2ccccc2F)on1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037693 1064847271 /nfs/dbraw/zinc/84/72/71/1064847271.db2.gz QMQJAMPKETVRJX-UHFFFAOYSA-N 0 3 457.933 4.784 20 0 JJADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(Br)c1 ZINC001435601532 1064865727 /nfs/dbraw/zinc/86/57/27/1064865727.db2.gz XZCSQNVSEUUEAA-FQEVSTJZSA-N 0 3 457.347 4.792 20 0 JJADHN CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001435810418 1065004267 /nfs/dbraw/zinc/00/42/67/1065004267.db2.gz ZASLCYDWXDVINR-JOCHJYFZSA-N 0 3 456.512 4.936 20 0 JJADHN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC001435855806 1065027154 /nfs/dbraw/zinc/02/71/54/1065027154.db2.gz PHXICKXWGYHDMV-WXVUKLJWSA-N 0 3 458.549 4.817 20 0 JJADHN CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC001435890738 1065047742 /nfs/dbraw/zinc/04/77/42/1065047742.db2.gz RZQCAHDSGFLKOP-MUUNZHRXSA-N 0 3 457.618 4.734 20 0 JJADHN CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)cc2)cc1 ZINC001435890766 1065048041 /nfs/dbraw/zinc/04/80/41/1065048041.db2.gz SFJBDWZVPPHHOC-MHZLTWQESA-N 0 3 458.558 4.702 20 0 JJADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)cc1 ZINC001360365791 1065223782 /nfs/dbraw/zinc/22/37/82/1065223782.db2.gz ABZZYNXGAYRUHS-UHFFFAOYSA-N 0 3 456.320 4.550 20 0 JJADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cnc(-c2ccccc2Cl)s1 ZINC001360366284 1065224308 /nfs/dbraw/zinc/22/43/08/1065224308.db2.gz RDBWISAOVRGOIY-UHFFFAOYSA-N 0 3 454.983 4.541 20 0 JJADHN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3CN(C)C)CC2)c2ccccc12 ZINC001360368773 1065228355 /nfs/dbraw/zinc/22/83/55/1065228355.db2.gz NETPQCRDXCAXQY-UHFFFAOYSA-N 0 3 459.590 4.709 20 0 JJADHN CC(C)OCCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360376746 1065236216 /nfs/dbraw/zinc/23/62/16/1065236216.db2.gz NDLMGCPQFABKBH-HXUWFJFHSA-N 0 3 461.626 4.683 20 0 JJADHN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001436205740 1065250400 /nfs/dbraw/zinc/25/04/00/1065250400.db2.gz OJAJWVCGYIQWHX-MRXNPFEDSA-N 0 3 457.397 4.818 20 0 JJADHN CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001360387121 1065251910 /nfs/dbraw/zinc/25/19/10/1065251910.db2.gz AEZFXPNEFPEIAT-RPWUZVMVSA-N 0 3 453.652 4.749 20 0 JJADHN CSc1cccc(N(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C2CCN(C)CC2)c1 ZINC001360409030 1065272017 /nfs/dbraw/zinc/27/20/17/1065272017.db2.gz WRQXKBMKEFCHFR-UHFFFAOYSA-N 0 3 450.608 4.507 20 0 JJADHN COc1c(Br)cccc1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001436254305 1065275575 /nfs/dbraw/zinc/27/55/75/1065275575.db2.gz DRHULGDRYATJGE-UHFFFAOYSA-N 0 3 453.764 4.836 20 0 JJADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001436256028 1065276792 /nfs/dbraw/zinc/27/67/92/1065276792.db2.gz XYOZZQFSULASGS-UHFFFAOYSA-N 0 3 456.892 4.935 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC001436317236 1065295827 /nfs/dbraw/zinc/29/58/27/1065295827.db2.gz RLVZNHBQHPBDPN-UHFFFAOYSA-N 0 3 451.954 4.953 20 0 JJADHN C[C@H](c1cc(F)ccc1F)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001360428125 1065300088 /nfs/dbraw/zinc/30/00/88/1065300088.db2.gz CSBMOCUTVHSFDL-QRWLVFNGSA-N 0 3 471.581 4.519 20 0 JJADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C ZINC001360433429 1065311699 /nfs/dbraw/zinc/31/16/99/1065311699.db2.gz RDKSKZNPHKDPGH-LMNJBCLMSA-N 0 3 457.619 4.873 20 0 JJADHN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432392 1065318005 /nfs/dbraw/zinc/31/80/05/1065318005.db2.gz SCNTUVRAVXKLTR-UPVQGACJSA-N 0 3 459.675 4.824 20 0 JJADHN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001436432395 1065318280 /nfs/dbraw/zinc/31/82/80/1065318280.db2.gz SCNTUVRAVXKLTR-VWNXMTODSA-N 0 3 459.675 4.824 20 0 JJADHN CC(=O)N[C@H](CC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C)c1cccs1 ZINC001436435749 1065319022 /nfs/dbraw/zinc/31/90/22/1065319022.db2.gz YYEIWUPWKHWJRD-DNQXCXABSA-N 0 3 455.668 4.507 20 0 JJADHN C[C@H](c1ccccc1F)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](c1cccs1)N(C)C ZINC001360452334 1065345262 /nfs/dbraw/zinc/34/52/62/1065345262.db2.gz KEILOQXYMCTTCM-GCJKJVERSA-N 0 3 464.614 4.965 20 0 JJADHN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001545901385 1065438064 /nfs/dbraw/zinc/43/80/64/1065438064.db2.gz LLTJWIPXTMBNTJ-MRXNPFEDSA-N 0 3 454.373 4.713 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545903682 1065489216 /nfs/dbraw/zinc/48/92/16/1065489216.db2.gz GHOHKMSCWGZUDZ-RCZVLFRGSA-N 0 3 480.701 4.967 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2C)n1C[C@H](C)N1CCC(C)CC1 ZINC001545903684 1065489274 /nfs/dbraw/zinc/48/92/74/1065489274.db2.gz GHOHKMSCWGZUDZ-WIOPSUGQSA-N 0 3 480.701 4.967 20 0 JJADHN CCc1nc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001437029116 1065498797 /nfs/dbraw/zinc/49/87/97/1065498797.db2.gz LUDMSTFUENWEGN-FQEVSTJZSA-N 0 3 452.002 4.608 20 0 JJADHN C[C@@H](CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)N(C)C)c1nccs1 ZINC001360526418 1065504940 /nfs/dbraw/zinc/50/49/40/1065504940.db2.gz LGSWIFIEYZNVHA-RXVVDRJESA-N 0 3 466.680 4.930 20 0 JJADHN C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(F)F)N1CCc2ccccc2C1 ZINC001360542628 1065531923 /nfs/dbraw/zinc/53/19/23/1065531923.db2.gz ZVEJPWJZTLTWDM-MRXNPFEDSA-N 0 3 460.960 4.532 20 0 JJADHN C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1)Oc1ccc(Cl)cc1 ZINC001360592503 1065600991 /nfs/dbraw/zinc/60/09/91/1065600991.db2.gz WUEKYTOPWFWTRS-SIKLNZKXSA-N 0 3 476.065 4.809 20 0 JJADHN CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCN(C4CCCC4)CC3)n2CCC(C)(F)F)CC1 ZINC001360628511 1065675620 /nfs/dbraw/zinc/67/56/20/1065675620.db2.gz ADEFIMOTBWMHRO-UHFFFAOYSA-N 0 3 496.647 4.503 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)cc1 ZINC001438323516 1065709088 /nfs/dbraw/zinc/70/90/88/1065709088.db2.gz BZAFVLAKJDDBBB-LOSJGSFVSA-N 0 3 478.633 4.682 20 0 JJADHN COc1ccc(OC(C)(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC001438323244 1065709224 /nfs/dbraw/zinc/70/92/24/1065709224.db2.gz BJQILGMLZSPBJW-RRPNLBNLSA-N 0 3 474.601 4.646 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001438337770 1065711384 /nfs/dbraw/zinc/71/13/84/1065711384.db2.gz OUEDQCTYJXHURT-RRWZXMNXSA-N 0 3 464.993 4.900 20 0 JJADHN CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001360654072 1065725978 /nfs/dbraw/zinc/72/59/78/1065725978.db2.gz BZHKYYPVPKJZPW-IBGZPJMESA-N 0 3 451.592 4.714 20 0 JJADHN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCCN(C)C4)cc3)cc2)nc1 ZINC001360659396 1065728365 /nfs/dbraw/zinc/72/83/65/1065728365.db2.gz XSQSUPASUDLALF-QHCPKHFHSA-N 0 3 458.562 4.601 20 0 JJADHN COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1 ZINC001360658795 1065728581 /nfs/dbraw/zinc/72/85/81/1065728581.db2.gz PTBCVCBSWUBSDP-DEOSSOPVSA-N 0 3 451.611 4.603 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN1CCCCC1 ZINC001360746138 1065788046 /nfs/dbraw/zinc/78/80/46/1065788046.db2.gz UBQKBCIGPHDHRU-REWPJTCUSA-N 0 3 473.637 4.827 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001360747626 1065789588 /nfs/dbraw/zinc/78/95/88/1065789588.db2.gz LINCCAFYGICNQI-JTHBVZDNSA-N 0 3 455.643 4.537 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCCS1 ZINC001360748619 1065790509 /nfs/dbraw/zinc/79/05/09/1065790509.db2.gz CPZMKMGPKCKVMF-GHTZIAJQSA-N 0 3 461.651 4.763 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCSC1 ZINC001360748971 1065790984 /nfs/dbraw/zinc/79/09/84/1065790984.db2.gz JFHNNSOMFNJKEX-VQTJNVASSA-N 0 3 475.678 4.869 20 0 JJADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001360760053 1065831258 /nfs/dbraw/zinc/83/12/58/1065831258.db2.gz GSCAGAQDSLLUIO-ZVDOUQERSA-N 0 3 476.065 4.543 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCN1CCCCC1 ZINC001360769531 1065861934 /nfs/dbraw/zinc/86/19/34/1065861934.db2.gz KADMWPCQKCNYEH-QGZVFWFLSA-N 0 3 469.527 4.822 20 0 JJADHN CC(C)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001360773171 1065870889 /nfs/dbraw/zinc/87/08/89/1065870889.db2.gz HCQYHVRFNQVGJN-OAQYLSRUSA-N 0 3 487.664 4.788 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN1CCCCC1 ZINC001360773274 1065871032 /nfs/dbraw/zinc/87/10/32/1065871032.db2.gz KNTHBSNPHHXGRU-RBUKOAKNSA-N 0 3 499.553 4.591 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN1CCCCC1 ZINC001360773272 1065871180 /nfs/dbraw/zinc/87/11/80/1065871180.db2.gz KNTHBSNPHHXGRU-MOPGFXCFSA-N 0 3 499.553 4.591 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001360774796 1065873923 /nfs/dbraw/zinc/87/39/23/1065873923.db2.gz SZVHUPSDCHXOJU-DCFHFQCYSA-N 0 3 487.664 4.809 20 0 JJADHN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001440539879 1065948386 /nfs/dbraw/zinc/94/83/86/1065948386.db2.gz QZERYSAAKRZODV-HNAYVOBHSA-N 0 3 451.792 4.823 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001440539872 1065948626 /nfs/dbraw/zinc/94/86/26/1065948626.db2.gz QZERYSAAKRZODV-BEFAXECRSA-N 0 3 451.792 4.823 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)c3cccc(N(C)C(=O)OC(C)(C)C)c3)c(C)c2)CC1 ZINC001440611653 1065954370 /nfs/dbraw/zinc/95/43/70/1065954370.db2.gz AGLZKTVKRYXCGF-UHFFFAOYSA-N 0 3 452.599 4.761 20 0 JJADHN Cc1ccccc1-c1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c2cnn(C(C)C)c2n1 ZINC001440665026 1065960774 /nfs/dbraw/zinc/96/07/74/1065960774.db2.gz HEZNTMNDJPNVFT-QFIPXVFZSA-N 0 3 455.606 4.890 20 0 JJADHN CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2Br)N(C)C)cc1 ZINC001440675623 1065962539 /nfs/dbraw/zinc/96/25/39/1065962539.db2.gz WVRZSIKWXBNXOM-SFHVURJKSA-N 0 3 454.206 4.807 20 0 JJADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)c(I)c1 ZINC001440676162 1065963360 /nfs/dbraw/zinc/96/33/60/1065963360.db2.gz XJYPADGAMBURCL-SFHVURJKSA-N 0 3 454.739 4.512 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001360851846 1065966137 /nfs/dbraw/zinc/96/61/37/1065966137.db2.gz SIALXSDIUKUNQA-HXUWFJFHSA-N 0 3 473.394 4.594 20 0 JJADHN CC1=C(Br)CN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001360851962 1065966568 /nfs/dbraw/zinc/96/65/68/1065966568.db2.gz UJHKZCCGAVPZRT-UHFFFAOYSA-N 0 3 462.823 4.739 20 0 JJADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1OC1CCCC1 ZINC001440744109 1065974850 /nfs/dbraw/zinc/97/48/50/1065974850.db2.gz DBSIMUTWUAOZHS-UHFFFAOYSA-N 0 3 456.030 4.599 20 0 JJADHN CC(C)(C)c1ccc(CSCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC001440743836 1065974943 /nfs/dbraw/zinc/97/49/43/1065974943.db2.gz GKCQWHUAUZCHHX-UHFFFAOYSA-N 0 3 453.696 4.541 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)c1cccc(OC)c1 ZINC001440876448 1065988260 /nfs/dbraw/zinc/98/82/60/1065988260.db2.gz KITATDMADJWSCB-WBADGQHESA-N 0 3 457.412 4.543 20 0 JJADHN CCN(CC)[C@H](CNC(=O)C1(c2cccc(OC(F)(F)F)c2)CC1)c1cccc(OC)c1 ZINC001440884880 1065990007 /nfs/dbraw/zinc/99/00/07/1065990007.db2.gz ZOBIEISKJZAMMV-OAQYLSRUSA-N 0 3 450.501 4.825 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001360872877 1066007289 /nfs/dbraw/zinc/00/72/89/1066007289.db2.gz AMNKUGAUTHIRDU-RPBOFIJWSA-N 0 3 496.744 4.933 20 0 JJADHN CC[C@H](CNC(=O)c1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1)N1CCc2ccccc2C1 ZINC001441241299 1066019118 /nfs/dbraw/zinc/01/91/18/1066019118.db2.gz NTQUVEKZZVJBLE-YADARESESA-N 0 3 451.611 4.839 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1C ZINC001360876799 1066020899 /nfs/dbraw/zinc/02/08/99/1066020899.db2.gz BKYFLCQHKZGPKA-AJTFRIOCSA-N 0 3 469.674 4.507 20 0 JJADHN CCOc1ccccc1-c1cccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001441252556 1066021232 /nfs/dbraw/zinc/02/12/32/1066021232.db2.gz ZUBGBZQTQRLNLM-MHZLTWQESA-N 0 3 457.618 4.861 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)/C(F)=C/c3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001441314185 1066026019 /nfs/dbraw/zinc/02/60/19/1066026019.db2.gz NVNBGQHXWZPJDP-STZFKDTASA-N 0 3 453.455 4.931 20 0 JJADHN CC1CCN(CCNC(=O)[C@@H](c2cccc(Cl)c2Cl)N(C)C(=O)OC(C)(C)C)CC1 ZINC001441363031 1066035073 /nfs/dbraw/zinc/03/50/73/1066035073.db2.gz RXZYBTSQDOJQHI-LJQANCHMSA-N 0 3 458.430 4.750 20 0 JJADHN CCN1CCN(Cc2ccc(CNC(=O)c3cc4ccccc4cc3OC(F)F)cc2)CC1 ZINC001441364374 1066035170 /nfs/dbraw/zinc/03/51/70/1066035170.db2.gz JOYAYLVOFXLDBC-UHFFFAOYSA-N 0 3 453.533 4.509 20 0 JJADHN CN(CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1)C1CCC1 ZINC001441462996 1066043273 /nfs/dbraw/zinc/04/32/73/1066043273.db2.gz HJTCDGLGUWSJDF-HXUWFJFHSA-N 0 3 452.451 4.755 20 0 JJADHN CC[C@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC001441708597 1066063188 /nfs/dbraw/zinc/06/31/88/1066063188.db2.gz FTWWHAWVZPYVNZ-QHCPKHFHSA-N 0 3 458.444 4.661 20 0 JJADHN CC1CCN([C@H](CNC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)c2ccccc2)CC1 ZINC001442068147 1066089141 /nfs/dbraw/zinc/08/91/41/1066089141.db2.gz DRVFZCVDRGCUJU-LJQANCHMSA-N 0 3 453.480 4.564 20 0 JJADHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC001442067871 1066089195 /nfs/dbraw/zinc/08/91/95/1066089195.db2.gz DCTQUXDHQJDPAR-QFIPXVFZSA-N 0 3 455.965 4.571 20 0 JJADHN CC1CCN([C@@H](CNC(=O)c2ccc3cncc(Br)c3n2)c2ccccc2)CC1 ZINC001442081207 1066091102 /nfs/dbraw/zinc/09/11/02/1066091102.db2.gz WUKYAPNMUGMBPO-NRFANRHFSA-N 0 3 453.384 4.595 20 0 JJADHN C[C@H](CC(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001442330458 1066117051 /nfs/dbraw/zinc/11/70/51/1066117051.db2.gz CXUUSVNTZXKUFM-HXUWFJFHSA-N 0 3 457.659 4.613 20 0 JJADHN Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)N2CCCC2)cc1 ZINC001442591435 1066141362 /nfs/dbraw/zinc/14/13/62/1066141362.db2.gz KFGOHTNEMZIZKP-QPPBQGQZSA-N 0 3 457.659 4.921 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)N2CCCC2)cc1 ZINC001442592598 1066141650 /nfs/dbraw/zinc/14/16/50/1066141650.db2.gz MAEIJQWOWGMEOU-JOCHJYFZSA-N 0 3 458.393 4.509 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)N2CCCC2)cc1 ZINC001442593690 1066141816 /nfs/dbraw/zinc/14/18/16/1066141816.db2.gz NQWLUDJDEVZOOX-QHCPKHFHSA-N 0 3 456.030 4.878 20 0 JJADHN CC[C@H](Cn1c(C(C)C)nnc1N(CCOC)[C@H]1CC[C@H](C)C1)N1CCc2ccccc2C1 ZINC001545950959 1066153246 /nfs/dbraw/zinc/15/32/46/1066153246.db2.gz ZGFMDXFJAAFRJB-GPUOULLFSA-N 0 3 453.675 4.880 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC001442726809 1066156072 /nfs/dbraw/zinc/15/60/72/1066156072.db2.gz OXPKLDUPGTXTRJ-UHFFFAOYSA-N 0 3 452.279 4.938 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC001442731063 1066156436 /nfs/dbraw/zinc/15/64/36/1066156436.db2.gz VSPBASQROQNXQM-UHFFFAOYSA-N 0 3 451.308 4.858 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CCN1CCCCC1 ZINC001360989381 1066161211 /nfs/dbraw/zinc/16/12/11/1066161211.db2.gz DHKCHIANVKJBLJ-NRFANRHFSA-N 0 3 486.064 4.507 20 0 JJADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CCCCC1 ZINC001360992335 1066171524 /nfs/dbraw/zinc/17/15/24/1066171524.db2.gz MZCSPSNRKKODRN-DYXWJJEUSA-N 0 3 464.029 4.968 20 0 JJADHN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)c(C)o1 ZINC001360994278 1066173620 /nfs/dbraw/zinc/17/36/20/1066173620.db2.gz GJXPPBKWDKPJMJ-NRFANRHFSA-N 0 3 498.697 4.549 20 0 JJADHN Cc1cc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C(C)(C)C)CC2)c(C)c1 ZINC001361011482 1066194777 /nfs/dbraw/zinc/19/47/77/1066194777.db2.gz UJBPZJJQXWAFLW-UHFFFAOYSA-N 0 3 485.474 4.930 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)C[C@H]1CCC2(CCOCC2)CO1)Cc1ccccc1 ZINC001361013196 1066198183 /nfs/dbraw/zinc/19/81/83/1066198183.db2.gz DIUULPPQZBVNSZ-AREMUKBSSA-N 0 3 450.623 4.513 20 0 JJADHN Cc1cc(C)cc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001361016986 1066205092 /nfs/dbraw/zinc/20/50/92/1066205092.db2.gz ISUONELOJQXSNM-JWQCQUIFSA-N 0 3 467.702 4.834 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)ccn1 ZINC001454015083 1066235008 /nfs/dbraw/zinc/23/50/08/1066235008.db2.gz QNAKRZJCYIZRCJ-OAQYLSRUSA-N 0 3 458.002 4.658 20 0 JJADHN CCCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001442879727 1066236470 /nfs/dbraw/zinc/23/64/70/1066236470.db2.gz QVUSEFYTBHEWGL-PKTZIBPZSA-N 0 3 457.659 4.783 20 0 JJADHN CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001442974368 1066248302 /nfs/dbraw/zinc/24/83/02/1066248302.db2.gz QWCHCALKJIMFSW-QGZVFWFLSA-N 0 3 451.355 4.988 20 0 JJADHN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001443009856 1066252552 /nfs/dbraw/zinc/25/25/52/1066252552.db2.gz HAIDHAXBRZPKIM-UHFFFAOYSA-N 0 3 456.562 4.571 20 0 JJADHN Cc1cc(C)cc(OCCn2c(Cc3ccncc3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001361042291 1066266099 /nfs/dbraw/zinc/26/60/99/1066266099.db2.gz AGNYVHSZDDAXCF-UHFFFAOYSA-N 0 3 476.669 4.518 20 0 JJADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC001443152832 1066274357 /nfs/dbraw/zinc/27/43/57/1066274357.db2.gz CQYCFJGOEGJBEL-QFIPXVFZSA-N 0 3 458.484 4.932 20 0 JJADHN CCN1CCN(C[C@@H](C)CNC(=O)c2oc3ccccc3c2CSc2cccs2)CC1 ZINC001443430903 1066309979 /nfs/dbraw/zinc/30/99/79/1066309979.db2.gz PQOFBXQYNMLTHR-SFHVURJKSA-N 0 3 457.665 4.790 20 0 JJADHN C[C@H](CNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC001443435069 1066310818 /nfs/dbraw/zinc/31/08/18/1066310818.db2.gz ZAXIRFQNTOJLAG-MRXNPFEDSA-N 0 3 452.451 4.758 20 0 JJADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 ZINC001443460396 1066314052 /nfs/dbraw/zinc/31/40/52/1066314052.db2.gz PPGPPMGAYKWGFU-DEOSSOPVSA-N 0 3 454.636 4.528 20 0 JJADHN C[C@@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001443660658 1066345598 /nfs/dbraw/zinc/34/55/98/1066345598.db2.gz CRBNRQKBVDPKSC-OAQYLSRUSA-N 0 3 451.611 4.813 20 0 JJADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)Cc1noc2ccc(Br)cc21 ZINC001455073210 1066357763 /nfs/dbraw/zinc/35/77/63/1066357763.db2.gz YIKXUMBERFRLKR-LJQANCHMSA-N 0 3 456.384 4.646 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccco3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361124208 1066378075 /nfs/dbraw/zinc/37/80/75/1066378075.db2.gz ZVTHCLPXBIKTQX-UHFFFAOYSA-N 0 3 494.684 4.544 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCC(C)C)c1 ZINC001361128513 1066392018 /nfs/dbraw/zinc/39/20/18/1066392018.db2.gz YGCMXGTWXZQSMR-VWLOTQADSA-N 0 3 496.744 4.940 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361128530 1066392440 /nfs/dbraw/zinc/39/24/40/1066392440.db2.gz YNSXEDDQONGZOD-VWLOTQADSA-N 0 3 496.744 4.940 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2CCOCC2)c1 ZINC001361129886 1066393997 /nfs/dbraw/zinc/39/39/97/1066393997.db2.gz FUCWYNSHKJRYBC-UHFFFAOYSA-N 0 3 469.674 4.636 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H](C)c2ccc(C)cc2)n1 ZINC001361135403 1066409274 /nfs/dbraw/zinc/40/92/74/1066409274.db2.gz NNOWOOAUZDXYBE-JOCHJYFZSA-N 0 3 477.701 4.810 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC001361138509 1066413810 /nfs/dbraw/zinc/41/38/10/1066413810.db2.gz AZRYYEJHZGYQBT-JTHBVZDNSA-N 0 3 453.656 4.790 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361140858 1066419290 /nfs/dbraw/zinc/41/92/90/1066419290.db2.gz HRWPPKOMNVOQHA-HPJWIMSGSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1nc(Cc2nnc(N3CCC(C)(C)CC3)n2C[C@H](c2ccc(C)cc2)N(C)C)cs1 ZINC001361141652 1066421990 /nfs/dbraw/zinc/42/19/90/1066421990.db2.gz PRDAMQDMTZRPGV-JOCHJYFZSA-N 0 3 452.672 4.872 20 0 JJADHN Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001361142459 1066424202 /nfs/dbraw/zinc/42/42/02/1066424202.db2.gz ZRBCJOKWSVBQAL-IRLDBZIGSA-N 0 3 472.559 4.654 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001361144572 1066426960 /nfs/dbraw/zinc/42/69/60/1066426960.db2.gz JPDLTEHIFJORAL-JOCHJYFZSA-N 0 3 496.725 4.759 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)cc1)[C@@H]1CCCN(C)C1 ZINC001444212502 1066429838 /nfs/dbraw/zinc/42/98/38/1066429838.db2.gz UQBFZBFMHKNGIN-JOCHJYFZSA-N 0 3 450.970 4.754 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCSC2(C)C)c1 ZINC001361159955 1066465685 /nfs/dbraw/zinc/46/56/85/1066465685.db2.gz PGZUAZGTAZQQCH-JOCHJYFZSA-N 0 3 471.715 4.784 20 0 JJADHN Cc1nc(C)c(CCn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001361160001 1066465891 /nfs/dbraw/zinc/46/58/91/1066465891.db2.gz QZRRQZPPFLXGLT-UHFFFAOYSA-N 0 3 482.698 4.710 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001444504408 1066468838 /nfs/dbraw/zinc/46/88/38/1066468838.db2.gz PSMAZGMWNVFOJQ-QHCPKHFHSA-N 0 3 455.643 4.727 20 0 JJADHN O=C(CCCOc1cccc2ccccc21)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001444548806 1066474377 /nfs/dbraw/zinc/47/43/77/1066474377.db2.gz XXMYDQBUWPKOJK-UHFFFAOYSA-N 0 3 450.554 4.798 20 0 JJADHN CCN1CCN(CCC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc2C)CC1 ZINC001444565247 1066477207 /nfs/dbraw/zinc/47/72/07/1066477207.db2.gz QBNBGKLVVVWTTI-UHFFFAOYSA-N 0 3 451.590 4.698 20 0 JJADHN Cc1ccc(-c2nc(CCn3c(CC(C)C)nnc3N3CCN(C(C)(C)C)CC3)co2)cc1 ZINC001361168004 1066481513 /nfs/dbraw/zinc/48/15/13/1066481513.db2.gz YFRORODNHCDNRH-UHFFFAOYSA-N 0 3 450.631 4.603 20 0 JJADHN C/C(=C\C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccccc1C ZINC001444644957 1066487412 /nfs/dbraw/zinc/48/74/12/1066487412.db2.gz BLOZLZBTERSHME-HTXNQAPBSA-N 0 3 457.412 4.820 20 0 JJADHN COc1cc(Cl)c(Cl)cc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444646285 1066488006 /nfs/dbraw/zinc/48/80/06/1066488006.db2.gz DTAJSLFARZUHLY-UHFFFAOYSA-N 0 3 457.785 4.929 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c(F)cccc1Br ZINC001444648109 1066488025 /nfs/dbraw/zinc/48/80/25/1066488025.db2.gz JQWHJKYYEFWWJG-UHFFFAOYSA-N 0 3 455.755 4.515 20 0 JJADHN CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001444653148 1066488871 /nfs/dbraw/zinc/48/88/71/1066488871.db2.gz SFNDNODGKLNQNJ-UHFFFAOYSA-N 0 3 458.002 4.598 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001456054717 1066495072 /nfs/dbraw/zinc/49/50/72/1066495072.db2.gz IGMPLRSREPDUFN-UHFFFAOYSA-N 0 3 450.892 4.749 20 0 JJADHN O=C(c1ccc(OCC(F)F)nc1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456053812 1066495216 /nfs/dbraw/zinc/49/52/16/1066495216.db2.gz GFEXKXAAEPCFQS-UHFFFAOYSA-N 0 3 458.336 4.771 20 0 JJADHN Cc1cc(-n2cncn2)ccc1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001456060517 1066498533 /nfs/dbraw/zinc/49/85/33/1066498533.db2.gz RONCZIKUWSECRI-UHFFFAOYSA-N 0 3 458.393 4.621 20 0 JJADHN COc1ccc(-c2cncc(C(=O)N(CCN(C)C)Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC001456063261 1066499665 /nfs/dbraw/zinc/49/96/65/1066499665.db2.gz ZYYNOIXTUWZRTE-UHFFFAOYSA-N 0 3 457.496 4.980 20 0 JJADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001456079317 1066504571 /nfs/dbraw/zinc/50/45/71/1066504571.db2.gz MBHRSSMJIWAACB-QFIPXVFZSA-N 0 3 455.046 4.593 20 0 JJADHN Cc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001361198014 1066526267 /nfs/dbraw/zinc/52/62/67/1066526267.db2.gz FNMJBLYTBMACEB-SIKLNZKXSA-N 0 3 498.697 4.588 20 0 JJADHN CN1C[C@H](NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)C(C)(C)C1 ZINC001456173163 1066528496 /nfs/dbraw/zinc/52/84/96/1066528496.db2.gz GQIXJQCHECTJTE-NRFANRHFSA-N 0 3 454.412 4.986 20 0 JJADHN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OCCC ZINC001445043934 1066533041 /nfs/dbraw/zinc/53/30/41/1066533041.db2.gz CTJKXKTXJAKEEO-PZJWPPBQSA-N 0 3 452.595 4.708 20 0 JJADHN CCCOc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1OCCC ZINC001445043915 1066533158 /nfs/dbraw/zinc/53/31/58/1066533158.db2.gz CTJKXKTXJAKEEO-CTNGQTDRSA-N 0 3 452.595 4.708 20 0 JJADHN Cc1ccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)o1 ZINC001361209408 1066542862 /nfs/dbraw/zinc/54/28/62/1066542862.db2.gz WKAVXOUOEBTOPS-YADHBBJMSA-N 0 3 455.578 4.540 20 0 JJADHN CCC(=O)c1cc(C(=O)N(C[C@H]2CCN(Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC001361220516 1066558107 /nfs/dbraw/zinc/55/81/07/1066558107.db2.gz TYRRBLNJRAWNRC-SFHVURJKSA-N 0 3 450.476 4.945 20 0 JJADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(-c3ccc(Br)s3)s2)C[C@H](C)O1 ZINC001445344695 1066560108 /nfs/dbraw/zinc/56/01/08/1066560108.db2.gz FRQHMYHDOZGECD-OKILXGFUSA-N 0 3 457.459 4.858 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CCCCC2)cc1Br ZINC001361221341 1066560247 /nfs/dbraw/zinc/56/02/47/1066560247.db2.gz WEEXZPDACVGMKX-UHFFFAOYSA-N 0 3 490.490 4.632 20 0 JJADHN Cc1ccc([C@@H]2CCCN2c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC(C)C)N(C)C)o1 ZINC001361238926 1066580870 /nfs/dbraw/zinc/58/08/70/1066580870.db2.gz YYZRPNGOGNJFKE-GMAHTHKFSA-N 0 3 499.681 4.568 20 0 JJADHN O=C(/C(F)=C\c1ccc(C(F)(F)F)cc1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001456435882 1066585394 /nfs/dbraw/zinc/58/53/94/1066585394.db2.gz GLHUIHSBJHAFGM-OQKWZONESA-N 0 3 450.476 4.767 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001456498819 1066601053 /nfs/dbraw/zinc/60/10/53/1066601053.db2.gz RRHHRGBRHHVSGG-UHFFFAOYSA-N 0 3 457.615 4.898 20 0 JJADHN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@@H]4CCCN(C)C4)cc3)nc2)c1 ZINC001456499297 1066601763 /nfs/dbraw/zinc/60/17/63/1066601763.db2.gz JGQBPGCDQOZPIB-JOCHJYFZSA-N 0 3 458.562 4.601 20 0 JJADHN Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)c1 ZINC001456501079 1066602417 /nfs/dbraw/zinc/60/24/17/1066602417.db2.gz RGKJIAXZPIEIQQ-HSZRJFAPSA-N 0 3 451.611 4.692 20 0 JJADHN C[C@@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)CN1Cc1ccccc1 ZINC001445789395 1066617452 /nfs/dbraw/zinc/61/74/52/1066617452.db2.gz JSADIXUMCZJYIN-CRAIPNDOSA-N 0 3 458.425 4.771 20 0 JJADHN C[C@H]1C[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)CN1Cc1ccccc1 ZINC001445789398 1066617585 /nfs/dbraw/zinc/61/75/85/1066617585.db2.gz JSADIXUMCZJYIN-MAUKXSAKSA-N 0 3 458.425 4.771 20 0 JJADHN COc1ccc(N(CCc2ccccc2)C(=O)CCCN2CCN(c3ccccc3)CC2)cc1 ZINC001456574813 1066629706 /nfs/dbraw/zinc/62/97/06/1066629706.db2.gz CZKPIFSQRJJWKI-UHFFFAOYSA-N 0 3 457.618 4.873 20 0 JJADHN CC(C)N1CC[C@H](C(=O)O[C@H]2CCOc3cc(Cl)cc(Cl)c32)[C@H](c2cnn(C)c2)C1 ZINC001361288025 1066646246 /nfs/dbraw/zinc/64/62/46/1066646246.db2.gz GFBGXGGEVNALJX-LNLFQRSKSA-N 0 3 452.382 4.608 20 0 JJADHN CC1=CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001492610799 1066672898 /nfs/dbraw/zinc/67/28/98/1066672898.db2.gz IEAUQCFBSYLZCV-BJKOFHAPSA-N 0 3 494.684 4.852 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277990 1066683848 /nfs/dbraw/zinc/68/38/48/1066683848.db2.gz AZNKPXLOPGUWSC-RLWLMLJZSA-N 0 3 450.529 4.553 20 0 JJADHN Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001446277982 1066683900 /nfs/dbraw/zinc/68/39/00/1066683900.db2.gz AZNKPXLOPGUWSC-QFQXNSOFSA-N 0 3 450.529 4.553 20 0 JJADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC001446324328 1066690418 /nfs/dbraw/zinc/69/04/18/1066690418.db2.gz PUKSHVFBKSYALK-OAHLLOKOSA-N 0 3 453.327 4.560 20 0 JJADHN Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)CC2)c1 ZINC001492622578 1066694321 /nfs/dbraw/zinc/69/43/21/1066694321.db2.gz OUVSGHACTGZILV-XMMPIXPASA-N 0 3 481.664 4.730 20 0 JJADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)cc1 ZINC001446351736 1066694940 /nfs/dbraw/zinc/69/49/40/1066694940.db2.gz LINMEZRUNJLXRL-QHCPKHFHSA-N 0 3 458.002 4.900 20 0 JJADHN Cc1coc(C)c1Cn1c(CCOc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492635916 1066719514 /nfs/dbraw/zinc/71/95/14/1066719514.db2.gz FFVZSAKVQNJOSR-UHFFFAOYSA-N 0 3 465.642 4.716 20 0 JJADHN Cc1csc(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001492644300 1066741651 /nfs/dbraw/zinc/74/16/51/1066741651.db2.gz ZQWIUNMNFBOBJY-OAQYLSRUSA-N 0 3 474.719 4.518 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)c1ccc(OCC(F)(F)F)cn1)Cc1ccccc1 ZINC001457041768 1066750554 /nfs/dbraw/zinc/75/05/54/1066750554.db2.gz WIFNTDSICRDFRV-UHFFFAOYSA-N 0 3 457.496 4.797 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC001492647168 1066751112 /nfs/dbraw/zinc/75/11/12/1066751112.db2.gz YPKGARDSWHIBQZ-UGKGYDQZSA-N 0 3 457.619 4.620 20 0 JJADHN Cc1nc(C)c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001492655424 1066766357 /nfs/dbraw/zinc/76/63/57/1066766357.db2.gz QTBNARQOFWNBFN-IBGZPJMESA-N 0 3 486.661 4.651 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)NCC23CCC(CC2)C3)CCN(Cc2ccccc2)CC1 ZINC001447108284 1066774322 /nfs/dbraw/zinc/77/43/22/1066774322.db2.gz ZTLYZBVQIVACBR-UHFFFAOYSA-N 0 3 455.643 4.633 20 0 JJADHN CS[C@H]1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)C[C@H]1N1CCCC1 ZINC001447362512 1066798604 /nfs/dbraw/zinc/79/86/04/1066798604.db2.gz MFJHXSWMWWDOQH-APWZRJJASA-N 0 3 451.455 4.829 20 0 JJADHN CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001447566286 1066822662 /nfs/dbraw/zinc/82/26/62/1066822662.db2.gz YRONBSQSRGNNHV-HNNXBMFYSA-N 0 3 454.562 4.714 20 0 JJADHN CN(C)CCSc1nc(CC(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)cs1 ZINC001447633187 1066832997 /nfs/dbraw/zinc/83/29/97/1066832997.db2.gz LIGGMVYENZNIBD-UHFFFAOYSA-N 0 3 450.649 4.888 20 0 JJADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC001457462397 1066835898 /nfs/dbraw/zinc/83/58/98/1066835898.db2.gz GRPMLLLOSXMIJI-DHIUTWEWSA-N 0 3 456.428 4.539 20 0 JJADHN CN(C(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457549547 1066858521 /nfs/dbraw/zinc/85/85/21/1066858521.db2.gz TVJIJYGGJWNCSO-JOCHJYFZSA-N 0 3 456.512 4.687 20 0 JJADHN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N(C)CC(C)(C)C)N1CCc2ccccc2C1 ZINC001546002059 1066889344 /nfs/dbraw/zinc/88/93/44/1066889344.db2.gz YVBGOPZYKPAWSD-QHCPKHFHSA-N 0 3 466.699 4.953 20 0 JJADHN Cc1nn(C)c(C)c1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001492720478 1066889993 /nfs/dbraw/zinc/88/99/93/1066889993.db2.gz PUWANIHTVBEUFS-NRFANRHFSA-N 0 3 497.663 4.514 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001448029191 1066892122 /nfs/dbraw/zinc/89/21/22/1066892122.db2.gz QLWZEKONZWLCSM-OPAMFIHVSA-N 0 3 455.400 4.673 20 0 JJADHN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC001457744596 1066909362 /nfs/dbraw/zinc/90/93/62/1066909362.db2.gz NDCBSSUTJVYNOG-UHFFFAOYSA-N 0 3 450.505 4.590 20 0 JJADHN CN(C)C[C@@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC001448406917 1066924433 /nfs/dbraw/zinc/92/44/33/1066924433.db2.gz SCFHWBZUSPTKBE-RPBOFIJWSA-N 0 3 452.982 4.762 20 0 JJADHN CC(C)(C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1)c1csc(-c2ccccc2F)n1 ZINC001457930879 1066942833 /nfs/dbraw/zinc/94/28/33/1066942833.db2.gz CGJGAZXHRYWFEF-UHFFFAOYSA-N 0 3 457.962 4.890 20 0 JJADHN Cc1nnc(N2CCc3cc(NC(=O)OC(C)(C)C)ccc3C2)n1C[C@@H](c1cccs1)N(C)C ZINC001492829707 1066954999 /nfs/dbraw/zinc/95/49/99/1066954999.db2.gz AAGFKZXRLMPLFD-NRFANRHFSA-N 0 3 482.654 4.861 20 0 JJADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1(Cc2ccccc2Br)CC1 ZINC001448928053 1066971110 /nfs/dbraw/zinc/97/11/10/1066971110.db2.gz ZURWWRPXZJGEEW-UHFFFAOYSA-N 0 3 459.350 4.693 20 0 JJADHN CC[C@@H](c1nnc(N(C)C2CCCCC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545720133 1066974373 /nfs/dbraw/zinc/97/43/73/1066974373.db2.gz RKIWRKJDADKNKB-XMMPIXPASA-N 0 3 452.691 4.615 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1csc([C@H](C)OC)n1)c1ccccc1 ZINC001545731950 1066992481 /nfs/dbraw/zinc/99/24/81/1066992481.db2.gz VOQOHMGISFNWMM-IHFIDZABSA-N 0 3 482.698 4.951 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736183 1066999743 /nfs/dbraw/zinc/99/97/43/1066999743.db2.gz LRXBGJZERZBTDT-NOZRDPDXSA-N 0 3 466.718 4.720 20 0 JJADHN CN(C)CCSc1nc(CC(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cs1 ZINC001449327293 1066999904 /nfs/dbraw/zinc/99/99/04/1066999904.db2.gz AYYZRKQRJONCQV-UHFFFAOYSA-N 0 3 457.587 4.797 20 0 JJADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336792 1067001265 /nfs/dbraw/zinc/00/12/65/1067001265.db2.gz ZJCVUHYEBOAQNA-NHCUHLMSSA-N 0 3 450.608 4.734 20 0 JJADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)cc1 ZINC001449336797 1067001708 /nfs/dbraw/zinc/00/17/08/1067001708.db2.gz ZJCVUHYEBOAQNA-SFTDATJTSA-N 0 3 450.608 4.734 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738123 1067001654 /nfs/dbraw/zinc/00/16/54/1067001654.db2.gz CFLQXHDIQOBTIJ-ILBGXUMGSA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740761 1067005895 /nfs/dbraw/zinc/00/58/95/1067005895.db2.gz CWHQIHYUVDKIHK-DQEYMECFSA-N 0 3 466.718 4.861 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(C)(C)CC)c1ccccc1 ZINC001545740764 1067006193 /nfs/dbraw/zinc/00/61/93/1067006193.db2.gz CWHQIHYUVDKIHK-RPBOFIJWSA-N 0 3 466.718 4.861 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545746908 1067016319 /nfs/dbraw/zinc/01/63/19/1067016319.db2.gz WZWRWGUALZRTAL-QTJGBDASSA-N 0 3 494.709 4.537 20 0 JJADHN O=C(Oc1ccc(F)c(Br)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 ZINC001458278604 1067020135 /nfs/dbraw/zinc/02/01/35/1067020135.db2.gz FOLKMTACUCEMQS-IAGOWNOFSA-N 0 3 461.356 4.866 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)C1 ZINC001449698527 1067021630 /nfs/dbraw/zinc/02/16/30/1067021630.db2.gz NLUBDQFSXZIKEJ-MRCUYLHHSA-N 0 3 455.643 4.537 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001449789872 1067028557 /nfs/dbraw/zinc/02/85/57/1067028557.db2.gz SQDJNTLMLANFGT-ZRZAMGCNSA-N 0 3 455.643 4.585 20 0 JJADHN CN1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC12CCCCC2 ZINC001449888808 1067034267 /nfs/dbraw/zinc/03/42/67/1067034267.db2.gz BZJFZKPEIMEDNR-HSZRJFAPSA-N 0 3 454.014 4.678 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)cc1 ZINC001449906667 1067036030 /nfs/dbraw/zinc/03/60/30/1067036030.db2.gz VHPALVYODZAWPC-UHFFFAOYSA-N 0 3 456.999 4.749 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCCCO1)c1ccccc1 ZINC001545758550 1067038185 /nfs/dbraw/zinc/03/81/85/1067038185.db2.gz IXEPADLYSSNTLL-RPWUZVMVSA-N 0 3 453.675 4.947 20 0 JJADHN CC[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC001545758548 1067038362 /nfs/dbraw/zinc/03/83/62/1067038362.db2.gz IXEPADLYSSNTLL-BJKOFHAPSA-N 0 3 453.675 4.947 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)SC)c1ccccc1 ZINC001545758775 1067039493 /nfs/dbraw/zinc/03/94/93/1067039493.db2.gz MPWPQZMVWMVQJR-QHCPKHFHSA-N 0 3 471.715 4.510 20 0 JJADHN CC[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCn1cc(C)cn1)c1ccccc1 ZINC001545759488 1067042648 /nfs/dbraw/zinc/04/26/48/1067042648.db2.gz YQTQHGZGPVWLSL-DEOSSOPVSA-N 0 3 463.674 4.583 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001450046627 1067044630 /nfs/dbraw/zinc/04/46/30/1067044630.db2.gz JPKSVVYYSBCQIV-SFTDATJTSA-N 0 3 459.403 4.891 20 0 JJADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC001450109790 1067050023 /nfs/dbraw/zinc/05/00/23/1067050023.db2.gz FSANTWKBFZPBIG-NDEPHWFRSA-N 0 3 458.650 4.666 20 0 JJADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC001450117455 1067051468 /nfs/dbraw/zinc/05/14/68/1067051468.db2.gz OPFXSJYYUSRTJX-LJQANCHMSA-N 0 3 457.393 4.997 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450128121 1067051695 /nfs/dbraw/zinc/05/16/95/1067051695.db2.gz LSWZMEFXKKUTKQ-QFIPXVFZSA-N 0 3 457.640 4.508 20 0 JJADHN CSc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)N(C)C)cc1 ZINC001450132517 1067052100 /nfs/dbraw/zinc/05/21/00/1067052100.db2.gz PXHOMMIEISDSBY-NQIIRXRSSA-N 0 3 454.665 4.654 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)N(C)C)cc1 ZINC001450140174 1067053713 /nfs/dbraw/zinc/05/37/13/1067053713.db2.gz XRJYAHCKGPQZOE-QFIPXVFZSA-N 0 3 457.043 4.956 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568334 1067089071 /nfs/dbraw/zinc/08/90/71/1067089071.db2.gz QHKCFHSAAQZKEN-QFQXNSOFSA-N 0 3 457.590 4.734 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)N(C)C)cc1 ZINC001450550792 1067090122 /nfs/dbraw/zinc/09/01/22/1067090122.db2.gz VJVIFJIVTFOKIQ-JOCHJYFZSA-N 0 3 451.592 4.820 20 0 JJADHN Cc1nc2sc3c(c2c(NCCN2CCC(NC(=O)OC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC001458577684 1067090199 /nfs/dbraw/zinc/09/01/99/1067090199.db2.gz KWKGYICUSUMDDB-OAHLLOKOSA-N 0 3 459.660 4.526 20 0 JJADHN C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc(Br)cc1F ZINC001450596451 1067093286 /nfs/dbraw/zinc/09/32/86/1067093286.db2.gz MQNANJMGBHXRRA-KBXCAEBGSA-N 0 3 455.318 4.923 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc2ccccc2c1Br ZINC001458628495 1067098731 /nfs/dbraw/zinc/09/87/31/1067098731.db2.gz JLHVBMHWLRMOMY-UWJYYQICSA-N 0 3 453.380 4.618 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)CCCCc2cccc(O)c2)CC1 ZINC001450696055 1067104470 /nfs/dbraw/zinc/10/44/70/1067104470.db2.gz AVTSPFKIIVMINZ-UHFFFAOYSA-N 0 3 459.428 4.991 20 0 JJADHN COc1cccc2c1[C@@H](C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1)CC2 ZINC001450696462 1067105236 /nfs/dbraw/zinc/10/52/36/1067105236.db2.gz CFYPEYVAOOVTEX-FQEVSTJZSA-N 0 3 457.412 4.611 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C)C1)N1CCOCC1 ZINC001545804907 1067117614 /nfs/dbraw/zinc/11/76/14/1067117614.db2.gz DPUSAGGBODDKEQ-WMZHIEFXSA-N 0 3 491.627 4.920 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)N(C)C)cc1 ZINC001450776872 1067118882 /nfs/dbraw/zinc/11/88/82/1067118882.db2.gz BEDIWGXUMYTDDN-QQNZBJPCSA-N 0 3 459.590 4.668 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C)CC1)N1CCOCC1 ZINC001545805338 1067119807 /nfs/dbraw/zinc/11/98/07/1067119807.db2.gz LRKUWEZYZGRBAV-SQJMNOBHSA-N 0 3 469.674 4.717 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(CC)C1)N1CCOCC1 ZINC001545805665 1067120993 /nfs/dbraw/zinc/12/09/93/1067120993.db2.gz QKDHQILQRKGIIO-IGKIAQTJSA-N 0 3 469.674 4.717 20 0 JJADHN C[C@@H]1[C@@H](NC(=O)CCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC001450789427 1067121207 /nfs/dbraw/zinc/12/12/07/1067121207.db2.gz JOBYHXMSEWGVQU-QPPBQGQZSA-N 0 3 457.659 4.973 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)C[C@H](C)C1)N1CCOCC1 ZINC001545805985 1067122113 /nfs/dbraw/zinc/12/21/13/1067122113.db2.gz WJOOLDGRGPPNFQ-TYBLODHISA-N 0 3 469.674 4.573 20 0 JJADHN C[C@@H]1[C@H](NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC001450796600 1067122598 /nfs/dbraw/zinc/12/25/98/1067122598.db2.gz OYKZQCYYPJEJMR-UZUQRXQVSA-N 0 3 452.549 4.976 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](COC)C1)N1CCOCC1 ZINC001545809288 1067135710 /nfs/dbraw/zinc/13/57/10/1067135710.db2.gz ACLYBPHNDYINKG-OZXSUGGESA-N 0 3 483.701 4.643 20 0 JJADHN CC[C@@H]1CCCC[C@H]1C(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001451303698 1067158566 /nfs/dbraw/zinc/15/85/66/1067158566.db2.gz NQYIJYRAZJATJB-DHIUTWEWSA-N 0 3 457.659 4.879 20 0 JJADHN CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CCCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001451320952 1067159450 /nfs/dbraw/zinc/15/94/50/1067159450.db2.gz BMIBULZRSXFLEY-JOCHJYFZSA-N 0 3 455.643 4.633 20 0 JJADHN CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2CCCC3(CC3)C2)CCN(Cc2ccccc2)CC1 ZINC001451320958 1067159468 /nfs/dbraw/zinc/15/94/68/1067159468.db2.gz BMIBULZRSXFLEY-QFIPXVFZSA-N 0 3 455.643 4.633 20 0 JJADHN CCC(CC)c1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)on1 ZINC001545823517 1067167481 /nfs/dbraw/zinc/16/74/81/1067167481.db2.gz OWFYDXUOODGOBP-RBUKOAKNSA-N 0 3 496.656 4.821 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@H]1N(C)CCCC1(C)C ZINC001545826141 1067173372 /nfs/dbraw/zinc/17/33/72/1067173372.db2.gz GZRUGUWXSXVEQW-HTAPYJJXSA-N 0 3 490.643 4.793 20 0 JJADHN CCC(CC)c1cc(Cn2c(COc3ccccc3F)nnc2N2CCN(C(C)(C)C)CC2)on1 ZINC001545826508 1067174491 /nfs/dbraw/zinc/17/44/91/1067174491.db2.gz OTDRPNIGMFOGTO-UHFFFAOYSA-N 0 3 484.620 4.857 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCN1CCC[C@H](C)C1 ZINC001545835143 1067186501 /nfs/dbraw/zinc/18/65/01/1067186501.db2.gz MUMXZISFIIHZPY-SFHVURJKSA-N 0 3 494.606 4.584 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C2CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001545846033 1067198724 /nfs/dbraw/zinc/19/87/24/1067198724.db2.gz ZLGJLGLXZPPZQA-NRFANRHFSA-N 0 3 472.703 4.547 20 0 JJADHN CC(C)N(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001452138263 1067208818 /nfs/dbraw/zinc/20/88/18/1067208818.db2.gz QZAXZIKAGWMQGU-YOQJIWRBSA-N 0 3 455.643 4.701 20 0 JJADHN CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001546104936 1067220686 /nfs/dbraw/zinc/22/06/86/1067220686.db2.gz OEWDXFPRMSYCNW-HOFKKMOUSA-N 0 3 469.674 4.638 20 0 JJADHN CCC(C)(C)N1CCN(C(=O)CCc2cc(Br)c(Br)s2)CC1 ZINC001452654095 1067241433 /nfs/dbraw/zinc/24/14/33/1067241433.db2.gz HXPBRCOYXDPGJH-UHFFFAOYSA-N 0 3 452.256 4.539 20 0 JJADHN COc1ccc([C@H]2CCCN2C(=O)CS[C@@H]2CCCN(Cc3ccccc3)C2)c(OC)c1 ZINC001459139622 1067259044 /nfs/dbraw/zinc/25/90/44/1067259044.db2.gz BSOBIQMAPKGTGC-ISKFKSNPSA-N 0 3 454.636 4.765 20 0 JJADHN CCOc1ccc(-c2nc(C)c(C(=O)NCC3CCN(Cc4ccncc4)CC3)s2)cc1 ZINC001452975731 1067269447 /nfs/dbraw/zinc/26/94/47/1067269447.db2.gz NPRFBPMUKVSDNK-UHFFFAOYSA-N 0 3 450.608 4.554 20 0 JJADHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001452996978 1067272658 /nfs/dbraw/zinc/27/26/58/1067272658.db2.gz YDWVGAZPFCWAFR-SFHVURJKSA-N 0 3 450.385 4.693 20 0 JJADHN C[N@H+](Cc1ccc2nc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)sc2c1)C1CC1 ZINC001453111451 1067279335 /nfs/dbraw/zinc/27/93/35/1067279335.db2.gz PGLZQBIVGVLREK-UHFFFAOYSA-N 0 3 459.597 4.946 20 0 JJADHN C[N@@H+](Cc1ccc2nc(NC(=O)c3c[n-]c(=NC(=O)OC(C)(C)C)s3)sc2c1)C1CC1 ZINC001453111451 1067279342 /nfs/dbraw/zinc/27/93/42/1067279342.db2.gz PGLZQBIVGVLREK-UHFFFAOYSA-N 0 3 459.597 4.946 20 0 JJADHN CCC1(CC)CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001546107662 1067281038 /nfs/dbraw/zinc/28/10/38/1067281038.db2.gz UVHDPRNITSUTAS-UHFFFAOYSA-N 0 3 450.606 4.936 20 0 JJADHN COc1cccc(CN2CCC(NC(=O)Cc3c(C)cc(C)c(Br)c3C)CC2)c1 ZINC001453150595 1067283720 /nfs/dbraw/zinc/28/37/20/1067283720.db2.gz UUECMFCGWCXWOC-UHFFFAOYSA-N 0 3 459.428 4.706 20 0 JJADHN CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)(C)C)CC2)O1 ZINC001546048524 1067288844 /nfs/dbraw/zinc/28/88/44/1067288844.db2.gz NIOBOOLCQYXUEQ-CPJSRVTESA-N 0 3 477.600 4.815 20 0 JJADHN CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)(C)C)CC2)O1 ZINC001546048525 1067289154 /nfs/dbraw/zinc/28/91/54/1067289154.db2.gz NIOBOOLCQYXUEQ-NBGIEHNGSA-N 0 3 477.600 4.815 20 0 JJADHN C[C@@H]1CCC[C@@H](N(CCOc2cccc(S(C)(=O)=O)c2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001459392835 1067311371 /nfs/dbraw/zinc/31/13/71/1067311371.db2.gz LVPATRCIGNGRIF-DNVFCKCGSA-N 0 3 459.608 4.525 20 0 JJADHN O=C(NCC(F)(F)c1ccc(Br)cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001453882014 1067334198 /nfs/dbraw/zinc/33/41/98/1067334198.db2.gz FVMXIVDFQXXNKU-INIZCTEOSA-N 0 3 455.318 4.708 20 0 JJADHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC001459567326 1067354022 /nfs/dbraw/zinc/35/40/22/1067354022.db2.gz VBIIOGMAPHRXKL-DWLFOUALSA-N 0 3 459.512 4.869 20 0 JJADHN Ic1ccccc1OC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC001459626409 1067367416 /nfs/dbraw/zinc/36/74/16/1067367416.db2.gz HYBPBORIBKUCCE-UHFFFAOYSA-N 0 3 459.331 4.520 20 0 JJADHN CN(CCN1CCN(c2ccccc2)CC1)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001459629249 1067368502 /nfs/dbraw/zinc/36/85/02/1067368502.db2.gz NSYMQBALXCMAJJ-UHFFFAOYSA-N 0 3 451.561 4.798 20 0 JJADHN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C(=O)OC)c3cccnc23)CC1 ZINC001459692347 1067385327 /nfs/dbraw/zinc/38/53/27/1067385327.db2.gz BMLNOKIYGFZTAR-UHFFFAOYSA-N 0 3 451.592 4.600 20 0 JJADHN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C2(CCCCC2)C1 ZINC001459699142 1067387876 /nfs/dbraw/zinc/38/78/76/1067387876.db2.gz PNTQSGHDAZXUIQ-FQEVSTJZSA-N 0 3 456.549 4.864 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)nc3C)c(OCC)c2)CC1 ZINC001459709657 1067390773 /nfs/dbraw/zinc/39/07/73/1067390773.db2.gz GGTROIFPXOOHER-UHFFFAOYSA-N 0 3 459.594 4.635 20 0 JJADHN CCCN1CCN(c2ccc(NC(=O)C[C@@H]3OCc4cc(Cl)ccc43)c(OCC)c2)CC1 ZINC001459710771 1067391607 /nfs/dbraw/zinc/39/16/07/1067391607.db2.gz QRUZGADIBFWBTI-QHCPKHFHSA-N 0 3 458.002 4.871 20 0 JJADHN COc1ccc([C@H](NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c2ccc(F)cc2)cc1 ZINC001459723922 1067396215 /nfs/dbraw/zinc/39/62/15/1067396215.db2.gz WTEYAAIPWHPRNP-XZOQPEGZSA-N 0 3 456.558 4.682 20 0 JJADHN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC001459744033 1067403082 /nfs/dbraw/zinc/40/30/82/1067403082.db2.gz URMJLPQEYZKOOK-UHFFFAOYSA-N 0 3 459.775 4.896 20 0 JJADHN C[C@H](c1ccccc1Cl)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001459782399 1067419446 /nfs/dbraw/zinc/41/94/46/1067419446.db2.gz YPXVFKQFVHRFTF-DBXWQHBBSA-N 0 3 450.023 4.629 20 0 JJADHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 ZINC001459789202 1067422804 /nfs/dbraw/zinc/42/28/04/1067422804.db2.gz YCGMMHZQSUHQDT-VWLOTQADSA-N 0 3 452.986 4.669 20 0 JJADHN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN[C@H](CO)C(C)(C)C)cc1 ZINC001459803509 1067430749 /nfs/dbraw/zinc/43/07/49/1067430749.db2.gz HFSCKUHLQVRBJI-IZZNHLLZSA-N 0 3 459.590 4.523 20 0 JJADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC001459825336 1067440876 /nfs/dbraw/zinc/44/08/76/1067440876.db2.gz GRKRSYPPIXEPIW-GOSISDBHSA-N 0 3 450.352 4.626 20 0 JJADHN CC(C)C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC001459841976 1067449026 /nfs/dbraw/zinc/44/90/26/1067449026.db2.gz MXCIFULJRSQMEO-QHCPKHFHSA-N 0 3 459.546 4.983 20 0 JJADHN CCOC(=O)C1CCC(O)(C[C@H](O)CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844363 1067450528 /nfs/dbraw/zinc/45/05/28/1067450528.db2.gz RZFQTKFGTYNKCC-AIJLCFIGSA-N 0 3 459.558 4.504 20 0 JJADHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC001459844366 1067451165 /nfs/dbraw/zinc/45/11/65/1067451165.db2.gz RZFQTKFGTYNKCC-PFEPVGRASA-N 0 3 459.558 4.504 20 0 JJADHN CC[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC001459851806 1067456203 /nfs/dbraw/zinc/45/62/03/1067456203.db2.gz HGZOOBJSQFNWGE-RTWAWAEBSA-N 0 3 451.394 4.769 20 0 JJADHN CC(C)C[C@H](NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001459852105 1067457269 /nfs/dbraw/zinc/45/72/69/1067457269.db2.gz ALPRDJZWFBQCSZ-QFIPXVFZSA-N 0 3 451.508 4.870 20 0 JJADHN C[C@@H]1C[C@H]1[C@H](NCC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870417 1067467390 /nfs/dbraw/zinc/46/73/90/1067467390.db2.gz NRWPGDMZEUGKBM-QHLBDZCJSA-N 0 3 454.739 4.870 20 0 JJADHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)Nc1cccc(I)c1)c1ccc(Cl)cc1 ZINC001459870414 1067467416 /nfs/dbraw/zinc/46/74/16/1067467416.db2.gz NRWPGDMZEUGKBM-JLBUNGTFSA-N 0 3 454.739 4.870 20 0 JJADHN CCC1(CC)CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001546112449 1067472248 /nfs/dbraw/zinc/47/22/48/1067472248.db2.gz RORXBSQBYVYDTQ-HXUWFJFHSA-N 0 3 455.676 4.521 20 0 JJADHN Cc1ccc([C@@H](CC(F)(F)F)NC[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001459908040 1067484072 /nfs/dbraw/zinc/48/40/72/1067484072.db2.gz RZWMOGAYFJRIDN-GGAORHGYSA-N 0 3 450.501 4.742 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@H](CC)[C@H]1CCCO1 ZINC001459925241 1067494435 /nfs/dbraw/zinc/49/44/35/1067494435.db2.gz REEKDLYWNOYFAZ-QZTJIDSGSA-N 0 3 450.988 4.731 20 0 JJADHN COc1cc(Br)ccc1[C@H](C)NCCC(=O)Nc1ccccc1Br ZINC001459955454 1067505976 /nfs/dbraw/zinc/50/59/76/1067505976.db2.gz HEXHRGZTKYURPH-LBPRGKRZSA-N 0 3 456.178 4.900 20 0 JJADHN CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2C)c(C(=O)OC(C)(C)C)c1C ZINC001459955774 1067506394 /nfs/dbraw/zinc/50/63/94/1067506394.db2.gz VGMBASDGXRCQEL-GDBMZVCRSA-N 0 3 452.617 4.638 20 0 JJADHN Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958660 1067507833 /nfs/dbraw/zinc/50/78/33/1067507833.db2.gz GWPSVIPISRTHDG-QZTJIDSGSA-N 0 3 455.400 4.846 20 0 JJADHN CC(C)(C)N1CC[C@@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970359 1067510810 /nfs/dbraw/zinc/51/08/10/1067510810.db2.gz BIKLTGWIEDWDMO-IBGZPJMESA-N 0 3 457.775 4.571 20 0 JJADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2ccsc2)cc1 ZINC001459999400 1067521019 /nfs/dbraw/zinc/52/10/19/1067521019.db2.gz ZAAGPKNVDPNIPE-QFIPXVFZSA-N 0 3 457.640 4.801 20 0 JJADHN COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c(Br)c1OC ZINC001460020035 1067530566 /nfs/dbraw/zinc/53/05/66/1067530566.db2.gz IUNVLKWPPIJRJZ-INIZCTEOSA-N 0 3 457.409 4.592 20 0 JJADHN OC[C@@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc(Cl)cc1C(F)(F)F ZINC001460020053 1067530664 /nfs/dbraw/zinc/53/06/64/1067530664.db2.gz WBKUDDMQRMCTDR-HZPDHXFCSA-N 0 3 456.661 4.617 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039519 1067536605 /nfs/dbraw/zinc/53/66/05/1067536605.db2.gz LKZBYZCQXZOWOY-GFRNBQLOSA-N 0 3 455.624 4.591 20 0 JJADHN COc1cccc(S(=O)(=O)CCN[C@](C)(CC(C)C)c2cccc(Br)c2)c1 ZINC001460052333 1067539822 /nfs/dbraw/zinc/53/98/22/1067539822.db2.gz CSQXGYIEUOKWPX-OAQYLSRUSA-N 0 3 454.430 4.783 20 0 JJADHN COC(=O)c1ccc(OC)c(CN2CCC[C@H](c3nc(-c4ccccc4OC)cs3)C2)c1 ZINC001460055078 1067540214 /nfs/dbraw/zinc/54/02/14/1067540214.db2.gz YALQERKNWIYVRY-SFHVURJKSA-N 0 3 452.576 4.994 20 0 JJADHN CCN(C(=O)CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H](C)c1ccc(F)cc1 ZINC001460073941 1067546582 /nfs/dbraw/zinc/54/65/82/1067546582.db2.gz VXBKLALPXRXTBP-HXOBKFHXSA-N 0 3 452.492 4.745 20 0 JJADHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460086734 1067550371 /nfs/dbraw/zinc/55/03/71/1067550371.db2.gz WJLQKRZINMLIOJ-HYBUGGRVSA-N 0 3 453.652 4.656 20 0 JJADHN CCC[C@]1(NCC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CCOC1 ZINC001460095102 1067553113 /nfs/dbraw/zinc/55/31/13/1067553113.db2.gz AQNSLRYYGLQRGF-QFIPXVFZSA-N 0 3 450.988 4.733 20 0 JJADHN CCC[C@@]1(NCC(=O)Nc2sc(Cl)c(-c3ccccc3)c2C(=O)OCC)CCOC1 ZINC001460095099 1067553227 /nfs/dbraw/zinc/55/32/27/1067553227.db2.gz AQNSLRYYGLQRGF-JOCHJYFZSA-N 0 3 450.988 4.733 20 0 JJADHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095752 1067553495 /nfs/dbraw/zinc/55/34/95/1067553495.db2.gz ODHRYEASFFUERY-AMDXRBSFSA-N 0 3 450.623 4.658 20 0 JJADHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC001460095764 1067553568 /nfs/dbraw/zinc/55/35/68/1067553568.db2.gz ODHRYEASFFUERY-NIJXNBFTSA-N 0 3 450.623 4.658 20 0 JJADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC001460108807 1067556571 /nfs/dbraw/zinc/55/65/71/1067556571.db2.gz YARAKBNPGGODOU-ZBFHGGJFSA-N 0 3 456.395 4.767 20 0 JJADHN COC(=O)c1cccc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl ZINC001460160645 1067567562 /nfs/dbraw/zinc/56/75/62/1067567562.db2.gz HSTICBCBQZOXAJ-OFNKIYASSA-N 0 3 455.913 4.807 20 0 JJADHN O[C@@H](CN(CCc1ccc(Cl)cc1)CCc1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC001460175280 1067570906 /nfs/dbraw/zinc/57/09/06/1067570906.db2.gz MKPDEMBDLJJBMA-SFHVURJKSA-N 0 3 451.819 4.672 20 0 JJADHN COc1cc(NC(=O)CCN[C@H](C)c2ccc(Br)cc2F)c(OC)cc1Cl ZINC001460186348 1067574330 /nfs/dbraw/zinc/57/43/30/1067574330.db2.gz GCKGQTANRRQZKW-LLVKDONJSA-N 0 3 459.743 4.938 20 0 JJADHN Cc1cc(C)c(-c2csc(NC(=O)CN[C@H]3CCN(C)[C@@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191810 1067575533 /nfs/dbraw/zinc/57/55/33/1067575533.db2.gz HCINIALVFCNWCH-XUZZJYLKSA-N 0 3 452.599 4.848 20 0 JJADHN Cc1cc(C)c(-c2csc(NC(=O)CN[C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)n2)cc1C ZINC001460191812 1067575629 /nfs/dbraw/zinc/57/56/29/1067575629.db2.gz HCINIALVFCNWCH-ZJSXRUAMSA-N 0 3 452.599 4.848 20 0 JJADHN CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(Cc3ccc(-c4cccs4)cc3)C2)nn1 ZINC001460197919 1067576801 /nfs/dbraw/zinc/57/68/01/1067576801.db2.gz ODFSZJXPZUCUTL-OAQYLSRUSA-N 0 3 453.612 4.868 20 0 JJADHN O=C(CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)N[C@H](c1ccccc1)C1CCCC1 ZINC001460234505 1067586566 /nfs/dbraw/zinc/58/65/66/1067586566.db2.gz JUMLPNNACQTATL-JBRSBNLGSA-N 0 3 459.556 4.654 20 0 JJADHN CN(C)C(=O)c1cccc(NC(=O)CNC2(c3cccc(Br)c3)CCCCC2)c1 ZINC001460265847 1067593939 /nfs/dbraw/zinc/59/39/39/1067593939.db2.gz OWTXITDZOQDHKI-UHFFFAOYSA-N 0 3 458.400 4.539 20 0 JJADHN C[C@H](N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001460325016 1067608541 /nfs/dbraw/zinc/60/85/41/1067608541.db2.gz FOLIYTIPTJAPHK-OFAXGOBFSA-N 0 3 451.611 4.886 20 0 JJADHN CC(C)c1nnc(CC2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC001460332827 1067610521 /nfs/dbraw/zinc/61/05/21/1067610521.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 0 3 457.928 4.882 20 0 JJADHN COc1cccc(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2C)C2CCC(C)CC2)c1 ZINC001460335289 1067610545 /nfs/dbraw/zinc/61/05/45/1067610545.db2.gz HDTIXSXFGOIQNA-GASOQUEOSA-N 0 3 451.611 4.558 20 0 JJADHN C[C@H]1CCCN(Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]1CCNC(=O)OC(C)(C)C ZINC001460340473 1067611508 /nfs/dbraw/zinc/61/15/08/1067611508.db2.gz TWHVFCUCLUAEJP-CVDCTZTESA-N 0 3 455.599 4.725 20 0 JJADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1scc(Br)c1Br ZINC001460398060 1067626534 /nfs/dbraw/zinc/62/65/34/1067626534.db2.gz AIIQEWGYFPEHRD-GFCCVEGCSA-N 0 3 458.219 4.796 20 0 JJADHN C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)Nc1cccc(F)c1 ZINC001460404809 1067627781 /nfs/dbraw/zinc/62/77/81/1067627781.db2.gz GQSLTDOIIIQFNE-NPFVIJTESA-N 0 3 459.537 4.675 20 0 JJADHN C[C@H]1CCCC[C@H]1OCCNC(=O)CNC1(c2ccc(Br)cc2)CCCCC1 ZINC001460406268 1067628903 /nfs/dbraw/zinc/62/89/03/1067628903.db2.gz CVRNCXKWHSQWOB-GHTZIAJQSA-N 0 3 451.449 4.910 20 0 JJADHN CCC1(CC)CN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001546116070 1067629136 /nfs/dbraw/zinc/62/91/36/1067629136.db2.gz GKNVPBMJMSKCLR-JOCHJYFZSA-N 0 3 468.646 4.894 20 0 JJADHN C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1ccc(Cl)cc1Cl ZINC001460478680 1067641753 /nfs/dbraw/zinc/64/17/53/1067641753.db2.gz BJVBGRDQYOVQGG-KDOFPFPSSA-N 0 3 456.414 4.692 20 0 JJADHN CN(C)C[C@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC001460599027 1067666015 /nfs/dbraw/zinc/66/60/15/1067666015.db2.gz WTQULFHYPMIUHB-BEFAXECRSA-N 0 3 452.209 4.932 20 0 JJADHN CC(C)CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCN(C)CC1 ZINC001460671325 1067694972 /nfs/dbraw/zinc/69/49/72/1067694972.db2.gz AOZJPVJXCHFCKY-DEOSSOPVSA-N 0 3 456.030 4.780 20 0 JJADHN O=C(CN1CCCC[C@H](C2CCOCC2)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460692893 1067703392 /nfs/dbraw/zinc/70/33/92/1067703392.db2.gz PJRWLSXXYXXPGY-FQEVSTJZSA-N 0 3 453.558 4.545 20 0 JJADHN CCOC(=O)c1csc(CC2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC001460702081 1067704342 /nfs/dbraw/zinc/70/43/42/1067704342.db2.gz AGJCTBTVBFFLJE-UHFFFAOYSA-N 0 3 451.592 4.749 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001460713005 1067706746 /nfs/dbraw/zinc/70/67/46/1067706746.db2.gz ZISLAPAZQYFEFZ-NZQKXSOJSA-N 0 3 457.640 4.723 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750840 1067715469 /nfs/dbraw/zinc/71/54/69/1067715469.db2.gz WVLZGCRETKRQAV-REWPJTCUSA-N 0 3 453.631 4.953 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1)C1CCCC1 ZINC001460750837 1067715570 /nfs/dbraw/zinc/71/55/70/1067715570.db2.gz WVLZGCRETKRQAV-NZQKXSOJSA-N 0 3 453.631 4.953 20 0 JJADHN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001460822400 1067729493 /nfs/dbraw/zinc/72/94/93/1067729493.db2.gz SXJWJNICGIKGSQ-XMSQKQJNSA-N 0 3 459.414 4.599 20 0 JJADHN C[C@@H](NC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001460889573 1067743898 /nfs/dbraw/zinc/74/38/98/1067743898.db2.gz SZTUEISYUOOTHT-XUFREYRYSA-N 0 3 451.611 4.594 20 0 JJADHN O=C(c1ccc(OC(F)(F)F)cc1C(F)(F)F)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001461055746 1067771410 /nfs/dbraw/zinc/77/14/10/1067771410.db2.gz YBGJYZAEHDCXLF-BEFAXECRSA-N 0 3 458.402 4.951 20 0 JJADHN CNS(=O)(=O)Cc1ccc(CNCc2cc(C)c(OCc3ccccc3C)c(C)c2)cc1 ZINC001461090857 1067780167 /nfs/dbraw/zinc/78/01/67/1067780167.db2.gz MYQOKZPMWDEBLG-UHFFFAOYSA-N 0 3 452.620 4.530 20 0 JJADHN Fc1cccc(CNCC2(c3cccc(Cl)c3)CCOCC2)c1I ZINC001461106047 1067782754 /nfs/dbraw/zinc/78/27/54/1067782754.db2.gz LPBDQGBQHHMGQT-UHFFFAOYSA-N 0 3 459.730 4.922 20 0 JJADHN CC(C)N(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001461115350 1067784601 /nfs/dbraw/zinc/78/46/01/1067784601.db2.gz OKDGYVIGNGIAQJ-QHCPKHFHSA-N 0 3 450.558 4.710 20 0 JJADHN Fc1cccc(C[C@H](NCc2ccc(OCCN3CCOCC3)cc2)c2cccc(F)c2)c1 ZINC001461119932 1067785228 /nfs/dbraw/zinc/78/52/28/1067785228.db2.gz ITEKMQGLDWILDV-MHZLTWQESA-N 0 3 452.545 4.749 20 0 JJADHN C[C@]1(c2ccc(CNCc3ccccc3Oc3ccc(F)c(Cl)c3)cc2)NC(=O)NC1=O ZINC001461133544 1067787400 /nfs/dbraw/zinc/78/74/00/1067787400.db2.gz LVRNHUBDDQPELP-XMMPIXPASA-N 0 3 453.901 4.616 20 0 JJADHN CC[C@H](C)CN(C)c1ccc(F)cc1CNCCNC(=O)c1cccc(Br)c1 ZINC001461205617 1067798986 /nfs/dbraw/zinc/79/89/86/1067798986.db2.gz XPFNVASNQOIZES-INIZCTEOSA-N 0 3 450.396 4.590 20 0 JJADHN CS(=O)(=O)CCOCCNCc1ccc(Cl)cc1Oc1cc(Cl)ccc1Cl ZINC001461219684 1067802019 /nfs/dbraw/zinc/80/20/19/1067802019.db2.gz BONOVYIZFYZWQO-UHFFFAOYSA-N 0 3 452.787 4.590 20 0 JJADHN CCc1cc(Oc2ccc(F)cc2CNCCNc2cc(C)nc3ncnn32)ccc1Cl ZINC001461231869 1067805428 /nfs/dbraw/zinc/80/54/28/1067805428.db2.gz LYUHDBMFQNZGSD-UHFFFAOYSA-N 0 3 454.937 4.782 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC001461240953 1067808010 /nfs/dbraw/zinc/80/80/10/1067808010.db2.gz XZOQNOSBLWJBSS-RNODOKPDSA-N 0 3 452.755 4.947 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNCCc3nc(C(F)(F)F)cs3)o2)C1 ZINC001461249986 1067810010 /nfs/dbraw/zinc/81/00/10/1067810010.db2.gz BXWJHQFFNQYAIR-AWEZNQCLSA-N 0 3 459.534 4.645 20 0 JJADHN COc1cc(CNCc2cc(Br)cc(Br)c2N)c2ccccc2n1 ZINC001461256230 1067811450 /nfs/dbraw/zinc/81/14/50/1067811450.db2.gz YALZXEOOPWXBFZ-UHFFFAOYSA-N 0 3 451.162 4.640 20 0 JJADHN CC(C)(C)OC(=O)NC1CCC(N[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001461257260 1067812028 /nfs/dbraw/zinc/81/20/28/1067812028.db2.gz XGTKVQSHHBCISE-YDPRHXJPSA-N 0 3 458.624 4.605 20 0 JJADHN CC[C@H](NCc1cn(-c2ccccc2Br)nc1C)[C@@H](O)c1c(F)cccc1F ZINC001461258089 1067812460 /nfs/dbraw/zinc/81/24/60/1067812460.db2.gz PLBSMQUBWXDDJA-GHTZIAJQSA-N 0 3 450.327 4.823 20 0 JJADHN CCCOc1c(Cl)cc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1OC ZINC001461310048 1067825444 /nfs/dbraw/zinc/82/54/44/1067825444.db2.gz XUYKGQANHWQHCA-UHFFFAOYSA-N 0 3 458.990 4.501 20 0 JJADHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OCCCN3CCN(C)CC3)cc2)c1 ZINC001461337029 1067832463 /nfs/dbraw/zinc/83/24/63/1067832463.db2.gz VDKKASAVAVNEFP-QFIPXVFZSA-N 0 3 453.627 4.541 20 0 JJADHN COc1cc(C[NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)cc(Br)c1[O-] ZINC001461340959 1067833687 /nfs/dbraw/zinc/83/36/87/1067833687.db2.gz UHYSGVABGZKFIB-OAQYLSRUSA-N 0 3 458.352 4.566 20 0 JJADHN Brc1ccc(-c2c[nH]c(CNC[C@H]3CSCCN3Cc3ccccc3)n2)cc1 ZINC001461430396 1067854517 /nfs/dbraw/zinc/85/45/17/1067854517.db2.gz ALOCOWRUYKCDMQ-FQEVSTJZSA-N 0 3 457.441 4.546 20 0 JJADHN CC[C@H](NCc1cc(I)c(Br)cc1F)[C@@H]1CCCCO1 ZINC001461607611 1067900807 /nfs/dbraw/zinc/90/08/07/1067900807.db2.gz LWFXJEFIWYHCNY-GJZGRUSLSA-N 0 3 456.137 4.630 20 0 JJADHN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCN1C(=O)c2ccccc2C1=O ZINC001461491791 1067874593 /nfs/dbraw/zinc/87/45/93/1067874593.db2.gz BYYRKBALNXSLJR-UHFFFAOYSA-N 0 3 450.970 4.599 20 0 JJADHN COC(=O)c1cc(CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)n2c1CCCC2 ZINC001461539742 1067884197 /nfs/dbraw/zinc/88/41/97/1067884197.db2.gz NCHJLXROUIXZMZ-JOCHJYFZSA-N 0 3 455.599 4.747 20 0 JJADHN CN(C(=O)c1ccc(NCc2c(Cl)n(C)nc2-c2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC001461567074 1067890376 /nfs/dbraw/zinc/89/03/76/1067890376.db2.gz YYDNPSVYEXFZOW-OAQYLSRUSA-N 0 3 452.002 4.519 20 0 JJADHN CNC(=O)[C@H](CNCc1cc(F)ccc1Oc1cncc(Cl)c1)Cc1ccc(F)cc1C ZINC001461601890 1067899052 /nfs/dbraw/zinc/89/90/52/1067899052.db2.gz SVJXSCXLEKTHEW-SFHVURJKSA-N 0 3 459.924 4.808 20 0 JJADHN CNC(=O)[C@@H](CNCc1cc(F)ccc1Oc1cncc(Cl)c1)Cc1ccc(F)cc1C ZINC001461601889 1067899133 /nfs/dbraw/zinc/89/91/33/1067899133.db2.gz SVJXSCXLEKTHEW-GOSISDBHSA-N 0 3 459.924 4.808 20 0 JJADHN Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCC2(S(C)(=O)=O)CCCCC2)c1 ZINC001461640618 1067908122 /nfs/dbraw/zinc/90/81/22/1067908122.db2.gz DPPQTRMJSMSLOX-UHFFFAOYSA-N 0 3 451.636 4.744 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001461669643 1067914680 /nfs/dbraw/zinc/91/46/80/1067914680.db2.gz RNDVZPLQASBXKL-UZLBHIALSA-N 0 3 463.420 4.739 20 0 JJADHN Cc1cc(C2OCCO2)c(C)cc1CNCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001461674604 1067915521 /nfs/dbraw/zinc/91/55/21/1067915521.db2.gz FUDPZWUWQVMGDG-UHFFFAOYSA-N 0 3 452.595 4.932 20 0 JJADHN Cc1ccccc1CN1CCO[C@H](CNCc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC001461699112 1067921224 /nfs/dbraw/zinc/92/12/24/1067921224.db2.gz URBNSKRTJLYNNV-HXUWFJFHSA-N 0 3 457.334 4.767 20 0 JJADHN Cc1ccc(CNC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(-c2ccnn2C)c1 ZINC001461839474 1067944866 /nfs/dbraw/zinc/94/48/66/1067944866.db2.gz SFDLRHFRCGGDTL-FQEVSTJZSA-N 0 3 457.418 4.954 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001461894313 1067956195 /nfs/dbraw/zinc/95/61/95/1067956195.db2.gz CUVMJVUPNXKWTN-DEOSSOPVSA-N 0 3 450.023 4.525 20 0 JJADHN C[C@@H]1CCC[C@@H](N(Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001462033324 1067984927 /nfs/dbraw/zinc/98/49/27/1067984927.db2.gz MEVCQDZGHRXABV-KGVIQGDOSA-N 0 3 455.599 4.931 20 0 JJADHN CC(=O)N(c1nc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)cs1)c1ccc(F)cc1F ZINC001462045781 1067988926 /nfs/dbraw/zinc/98/89/26/1067988926.db2.gz FICHXWBQXNDRFA-ZHRRBRCNSA-N 0 3 456.562 4.716 20 0 JJADHN CC(C)(C)OC(=O)N[C@H](CN1CCN(Cc2cccc3ccccc32)CC1)CC(F)(F)F ZINC001462050520 1067990700 /nfs/dbraw/zinc/99/07/00/1067990700.db2.gz YIQZSWLGZSJVOV-FQEVSTJZSA-N 0 3 451.533 4.803 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](CC(N)=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC001462064673 1067994527 /nfs/dbraw/zinc/99/45/27/1067994527.db2.gz QUCAOZPQCALUSP-YUXAGFNASA-N 0 3 458.002 4.987 20 0 JJADHN CC(C)(C)OC(=O)N1CCc2ccc(CN3CCC(O)(Cc4cccc(F)c4)CC3)cc2C1 ZINC001462124973 1068010737 /nfs/dbraw/zinc/01/07/37/1068010737.db2.gz DXYJXEMHGWBNQI-UHFFFAOYSA-N 0 3 454.586 4.689 20 0 JJADHN COCCc1ccc(OC[C@@H](C)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189735 1068025848 /nfs/dbraw/zinc/02/58/48/1068025848.db2.gz PWENTTPYMLZCKU-IERDGZPVSA-N 0 3 451.394 4.735 20 0 JJADHN Ic1cccc(CN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC001462201217 1068028091 /nfs/dbraw/zinc/02/80/91/1068028091.db2.gz VKLWWRRRNNCPHW-KRWDZBQOSA-N 0 3 450.368 4.837 20 0 JJADHN Ic1cccc(CN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC001462201217 1068028105 /nfs/dbraw/zinc/02/81/05/1068028105.db2.gz VKLWWRRRNNCPHW-KRWDZBQOSA-N 0 3 450.368 4.837 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001462310532 1068048565 /nfs/dbraw/zinc/04/85/65/1068048565.db2.gz BZTVOOMIYRWZST-DENIHFKCSA-N 0 3 454.558 4.615 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC001462310536 1068048817 /nfs/dbraw/zinc/04/88/17/1068048817.db2.gz BZTVOOMIYRWZST-KNQAVFIVSA-N 0 3 454.558 4.615 20 0 JJADHN COc1ccc(NC(=O)C[C@H](C)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398373 1068065707 /nfs/dbraw/zinc/06/57/07/1068065707.db2.gz AMOAKTSIHLGOAO-XUEUYAKLSA-N 0 3 454.567 4.581 20 0 JJADHN C[C@H]1CN(Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]1C(=O)OC(C)(C)C ZINC001462442335 1068075338 /nfs/dbraw/zinc/07/53/38/1068075338.db2.gz QROFWFJITDBHMD-QFBILLFUSA-N 0 3 450.645 4.841 20 0 JJADHN Cc1cccc(C(=O)NC2CCN(Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c1 ZINC001462476134 1068081408 /nfs/dbraw/zinc/08/14/08/1068081408.db2.gz WFFNSFXAVXWOMV-UHFFFAOYSA-N 0 3 453.384 4.542 20 0 JJADHN Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCC(C(=O)OC(C)(C)C)CC4)o3)C2)cc1 ZINC001462524035 1068091214 /nfs/dbraw/zinc/09/12/14/1068091214.db2.gz RISJHILSOBSSNW-QHCPKHFHSA-N 0 3 453.627 4.510 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3sccc3NC(=O)OC(C)(C)C)C2)O1 ZINC001462538700 1068094246 /nfs/dbraw/zinc/09/42/46/1068094246.db2.gz ZBLIVUITMOUREA-UQBPGWFLSA-N 0 3 457.640 4.961 20 0 JJADHN Cc1nn(-c2ccccn2)c(C)c1CN1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001462657166 1068125948 /nfs/dbraw/zinc/12/59/48/1068125948.db2.gz XOQWAMDQECDRFD-QHCPKHFHSA-N 0 3 453.631 4.742 20 0 JJADHN O=S(=O)(NCc1ccccc1F)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001462693826 1068133507 /nfs/dbraw/zinc/13/35/07/1068133507.db2.gz JDIKFHJTTDLMBE-LADGPHEKSA-N 0 3 458.986 4.567 20 0 JJADHN CN(C)Cc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1C(F)(F)F ZINC001462729804 1068145968 /nfs/dbraw/zinc/14/59/68/1068145968.db2.gz NWQCJDLMUXHGJE-UHFFFAOYSA-N 0 3 453.549 4.961 20 0 JJADHN Cc1cccc(Oc2ccc(S(=O)(=O)NC3CCN(CCc4ccccc4)CC3)cc2)c1 ZINC001462813879 1068174625 /nfs/dbraw/zinc/17/46/25/1068174625.db2.gz HPRZDUDDUAZPDJ-UHFFFAOYSA-N 0 3 450.604 4.773 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccccc2OC(C)C)cc1 ZINC001462905485 1068210299 /nfs/dbraw/zinc/21/02/99/1068210299.db2.gz XSQBJKUCLVHVKL-XTEPFMGCSA-N 0 3 478.658 4.870 20 0 JJADHN CCS[C@@H]1CCCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 ZINC001463062861 1068272286 /nfs/dbraw/zinc/27/22/86/1068272286.db2.gz FZUDSKXRRXOBLK-UODIDJSMSA-N 0 3 472.720 4.900 20 0 JJADHN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001463223526 1068326030 /nfs/dbraw/zinc/32/60/30/1068326030.db2.gz COVHZEZZPXTPSL-NRFANRHFSA-N 0 3 457.398 4.809 20 0 JJADHN Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224567 1068326574 /nfs/dbraw/zinc/32/65/74/1068326574.db2.gz JPWDDHJNJQJUPV-JOCHJYFZSA-N 0 3 452.542 4.691 20 0 JJADHN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC001463264517 1068338621 /nfs/dbraw/zinc/33/86/21/1068338621.db2.gz CQOYDBQMJHRYMO-ZYQDXHPFSA-N 0 3 458.693 4.557 20 0 JJADHN CCOc1cccc(CCNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)c1 ZINC001463357467 1068369472 /nfs/dbraw/zinc/36/94/72/1068369472.db2.gz HKADDBWMNFBHHS-WUFINQPMSA-N 0 3 478.658 4.524 20 0 JJADHN COc1cccc([C@H](CNC(=O)Cc2ccc(Br)cc2Cl)N2CCCC2)c1 ZINC001463554242 1068439544 /nfs/dbraw/zinc/43/95/44/1068439544.db2.gz BTTWNHRDRNYCCC-FQEVSTJZSA-N 0 3 451.792 4.607 20 0 JJADHN COc1cccc([C@H](CNC(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)N2CCCC2)c1 ZINC001463558690 1068441865 /nfs/dbraw/zinc/44/18/65/1068441865.db2.gz BRXCHWZXPWVGKG-FQEVSTJZSA-N 0 3 459.468 4.535 20 0 JJADHN COc1ccc([C@@H](CNC(=O)Cc2ccccc2NC(=O)OC(C)(C)C)N2CCCC2)cc1 ZINC001463567050 1068448060 /nfs/dbraw/zinc/44/80/60/1068448060.db2.gz QQKYZDFXHSQWQM-HSZRJFAPSA-N 0 3 453.583 4.538 20 0 JJADHN CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)C2=O)cc1 ZINC001463573386 1068451698 /nfs/dbraw/zinc/45/16/98/1068451698.db2.gz OAFCEYJKQBEQPN-DHIUTWEWSA-N 0 3 453.652 4.814 20 0 JJADHN O=S(=O)(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001463638251 1068477639 /nfs/dbraw/zinc/47/76/39/1068477639.db2.gz IUBSLORKOSKAGN-FQEVSTJZSA-N 0 3 456.995 4.933 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)N(C)C)cc1 ZINC001463764030 1068516709 /nfs/dbraw/zinc/51/67/09/1068516709.db2.gz PQWRLMULRUXWSO-JOCHJYFZSA-N 0 3 454.977 4.749 20 0 JJADHN Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cnn1-c1cccc(Br)c1 ZINC001463767822 1068518077 /nfs/dbraw/zinc/51/80/77/1068518077.db2.gz XWHAGAWZDHEUMN-JOCHJYFZSA-N 0 3 453.384 4.510 20 0 JJADHN CC(C)(C)C(=O)c1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001463770157 1068518710 /nfs/dbraw/zinc/51/87/10/1068518710.db2.gz XOLPLEAKHQMCLP-NOTZXAQLSA-N 0 3 454.636 4.779 20 0 JJADHN CN(C)[C@@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771101 1068519367 /nfs/dbraw/zinc/51/93/67/1068519367.db2.gz UOSOITKRXASZQU-FGZHOGPDSA-N 0 3 451.611 4.595 20 0 JJADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC001463830470 1068540067 /nfs/dbraw/zinc/54/00/67/1068540067.db2.gz LRECYXCJROIBPI-DEOSSOPVSA-N 0 3 459.011 4.638 20 0 JJADHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001464049654 1068600396 /nfs/dbraw/zinc/60/03/96/1068600396.db2.gz BNKFENJWDFNCAC-UHFFFAOYSA-N 0 3 450.819 4.575 20 0 JJADHN CC(C)c1scnc1C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001464119222 1068621224 /nfs/dbraw/zinc/62/12/24/1068621224.db2.gz GTGLRKHQSUGERH-UHFFFAOYSA-N 0 3 454.562 4.618 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)c1ccsc1 ZINC001464141959 1068632513 /nfs/dbraw/zinc/63/25/13/1068632513.db2.gz SFPSNACLHXNCLW-HXUWFJFHSA-N 0 3 450.048 4.877 20 0 JJADHN C[C@H](Oc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1)c1ccccc1 ZINC001464276534 1068686124 /nfs/dbraw/zinc/68/61/24/1068686124.db2.gz WTXNGTWOVOCZDO-FQEVSTJZSA-N 0 3 457.574 4.776 20 0 JJADHN CC1CCN([C@H](CNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c2ccccc2)CC1 ZINC001464399470 1068732636 /nfs/dbraw/zinc/73/26/36/1068732636.db2.gz KSYBFPAIWGHEKO-OAQYLSRUSA-N 0 3 458.393 4.777 20 0 JJADHN CSc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)n1-c1ccc(F)cc1 ZINC001464405773 1068735187 /nfs/dbraw/zinc/73/51/87/1068735187.db2.gz ZXMYRDFCRMORAN-JOCHJYFZSA-N 0 3 452.599 4.936 20 0 JJADHN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC001464431252 1068742846 /nfs/dbraw/zinc/74/28/46/1068742846.db2.gz XBJMYTFGUNTGCX-UHFFFAOYSA-N 0 3 451.954 4.984 20 0 JJADHN CN(Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC001464439482 1068746609 /nfs/dbraw/zinc/74/66/09/1068746609.db2.gz LJLJAFIKXDAJPZ-UHFFFAOYSA-N 0 3 456.530 4.540 20 0 JJADHN COc1cc(C)ccc1Oc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1F ZINC001464441557 1068747155 /nfs/dbraw/zinc/74/71/55/1068747155.db2.gz NDECIUQBMGPKKD-HZPDHXFCSA-N 0 3 457.420 4.858 20 0 JJADHN CCN(CC)[C@H](CNC(=O)Cc1ccc2c(c1)OC(F)(F)O2)c1ccc(C(F)(F)F)cc1 ZINC001464503236 1068767705 /nfs/dbraw/zinc/76/77/05/1068767705.db2.gz ZHRBMVJWTKCOIY-QGZVFWFLSA-N 0 3 458.427 4.769 20 0 JJADHN CCN(CC)[C@H](CNC(=O)CCc1nnc(C2CCCC2)o1)c1ccc(C(F)(F)F)cc1 ZINC001464503431 1068768179 /nfs/dbraw/zinc/76/81/79/1068768179.db2.gz ZQPPGYHUENATCE-LJQANCHMSA-N 0 3 452.521 4.878 20 0 JJADHN CN(C)CCN(Cc1ccccc1F)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001464505910 1068768226 /nfs/dbraw/zinc/76/82/26/1068768226.db2.gz PLLUJRJGJNFGIC-HSZRJFAPSA-N 0 3 457.590 4.762 20 0 JJADHN Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2Br)N2CCCC2)cc1 ZINC001464588782 1068792636 /nfs/dbraw/zinc/79/26/36/1068792636.db2.gz TVZXJEPQODMDJG-NRFANRHFSA-N 0 3 453.384 4.510 20 0 JJADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(ccc(Br)c2F)[nH]1 ZINC001464643762 1068809363 /nfs/dbraw/zinc/80/93/63/1068809363.db2.gz STJBHHYJABKZLH-UHFFFAOYSA-N 0 3 452.755 4.927 20 0 JJADHN CCCN(C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464679097 1068821914 /nfs/dbraw/zinc/82/19/14/1068821914.db2.gz YRPHDBBWYIMGAM-SLYNCCJLSA-N 0 3 463.548 4.707 20 0 JJADHN COc1ccc(S(=O)(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)c(C)c1C ZINC001464690584 1068826242 /nfs/dbraw/zinc/82/62/42/1068826242.db2.gz PNWQLTNBFIUHCL-RPLLCQBOSA-N 0 3 464.631 4.649 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)CC1 ZINC001164613786 719025331 /nfs/dbraw/zinc/02/53/31/719025331.db2.gz DRGXUJRKHQBVLX-UHFFFAOYSA-N 0 3 451.945 4.677 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC2)CC1 ZINC001164617353 719028789 /nfs/dbraw/zinc/02/87/89/719028789.db2.gz KIJQXVJRPFSMLI-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC2)CC1 ZINC001164617038 719032250 /nfs/dbraw/zinc/03/22/50/719032250.db2.gz FWRAITOYKRPLIA-UHFFFAOYSA-N 0 3 485.000 4.647 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)CC2)CC1 ZINC001164617176 719035873 /nfs/dbraw/zinc/03/58/73/719035873.db2.gz IXFHKYMWNSZCON-UHFFFAOYSA-N 0 3 470.004 4.793 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164627379 719095765 /nfs/dbraw/zinc/09/57/65/719095765.db2.gz JYMFQSFXLLOTDE-WOJBJXKFSA-N 0 3 455.940 4.838 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732424 720439402 /nfs/dbraw/zinc/43/94/02/720439402.db2.gz NHMOEJSFVWQWNN-FGZHOGPDSA-N 0 3 462.667 4.542 20 0 JJADHN COCc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735947 720460025 /nfs/dbraw/zinc/46/00/25/720460025.db2.gz ZTZXVCDRDUOJOL-FCHUYYIVSA-N 0 3 457.603 4.753 20 0 JJADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838638 720738231 /nfs/dbraw/zinc/73/82/31/720738231.db2.gz UVMBRONPWULNIV-UHFFFAOYSA-N 0 3 450.748 4.836 20 0 JJADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164859680 721003183 /nfs/dbraw/zinc/00/31/83/721003183.db2.gz LFEXYEDUDFNPNM-GOSISDBHSA-N 0 3 469.703 4.768 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164767421 721101069 /nfs/dbraw/zinc/10/10/69/721101069.db2.gz LSCFQPVYOZCCCR-OALUTQOASA-N 0 3 476.987 4.781 20 0 JJADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867233 721118648 /nfs/dbraw/zinc/11/86/48/721118648.db2.gz XEMDSIKANXKKJX-VQTJNVASSA-N 0 3 478.021 4.886 20 0 JJADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164876367 721163589 /nfs/dbraw/zinc/16/35/89/721163589.db2.gz LVUDVJZOHIXLLY-SVBPBHIXSA-N 0 3 463.585 4.685 20 0 JJADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164870317 721167895 /nfs/dbraw/zinc/16/78/95/721167895.db2.gz CNFHURPKLZXYDP-DHIUTWEWSA-N 0 3 476.024 4.551 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5scc(-c6ccc(Cl)cc6)c54)C[C@@H]3C2)cn1 ZINC001164766981 721195187 /nfs/dbraw/zinc/19/51/87/721195187.db2.gz JVAORFUKCNFCHA-MOPGFXCFSA-N 0 3 465.026 4.704 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164771888 721201646 /nfs/dbraw/zinc/20/16/46/721201646.db2.gz RSQSIRVZFCBVQH-ROUUACIJSA-N 0 3 476.675 4.600 20 0 JJADHN Cc1sc2nc(-c3cccs3)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164763384 721202116 /nfs/dbraw/zinc/20/21/16/721202116.db2.gz FQZFWEOZKGBZAY-RTBURBONSA-N 0 3 464.664 4.728 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5cccs5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164771889 721202359 /nfs/dbraw/zinc/20/23/59/721202359.db2.gz RSQSIRVZFCBVQH-ZWKOTPCHSA-N 0 3 476.675 4.600 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccsc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164765109 721220097 /nfs/dbraw/zinc/22/00/97/721220097.db2.gz HUHYXMAIBFBGPX-QUCCMNQESA-N 0 3 490.702 4.990 20 0 JJADHN FC1(F)CCN(c2nc(Cl)ncc2-c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904810 721705982 /nfs/dbraw/zinc/70/59/82/721705982.db2.gz DFBDNTSJNXHAQM-QHCPKHFHSA-N 0 3 455.940 4.930 20 0 JJADHN Fc1ccc(Cn2ccc3c2ncnc3N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164904975 721709819 /nfs/dbraw/zinc/70/98/19/721709819.db2.gz GDKLWQIDHACTJG-SANMLTNESA-N 0 3 492.549 4.751 20 0 JJADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C2)n1)CCC3 ZINC001164907417 721723405 /nfs/dbraw/zinc/72/34/05/721723405.db2.gz RRMMNQBJAVBVAL-QHCPKHFHSA-N 0 3 455.578 4.621 20 0 JJADHN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960676 722061610 /nfs/dbraw/zinc/06/16/10/722061610.db2.gz GYDHVCMYLPQBOQ-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN c1csc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)c1 ZINC001164979121 722107796 /nfs/dbraw/zinc/10/77/96/722107796.db2.gz HBYAMRQMWIUATM-UYAOXDASSA-N 0 3 463.632 4.542 20 0 JJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971025 722111669 /nfs/dbraw/zinc/11/16/69/722111669.db2.gz BBZIBHHGUCJEMW-SIKLNZKXSA-N 0 3 458.940 4.555 20 0 JJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975174 722129717 /nfs/dbraw/zinc/12/97/17/722129717.db2.gz FGAAFGPKTTZEDL-UWJYYQICSA-N 0 3 473.404 4.673 20 0 JJADHN CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973984 722155772 /nfs/dbraw/zinc/15/57/72/722155772.db2.gz NUYBPVHSNNGFMV-URXFXBBRSA-N 0 3 480.012 4.607 20 0 JJADHN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(c2ccc(CN3CCCC3)cn2)CC1 ZINC001164991429 722189280 /nfs/dbraw/zinc/18/92/80/722189280.db2.gz QIEGRBAOZADUFH-UHFFFAOYSA-N 0 3 456.590 4.777 20 0 JJADHN CC(C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001359720268 1064267910 /nfs/dbraw/zinc/26/79/10/1064267910.db2.gz MNYXJFYIFVBGOL-HXUWFJFHSA-N 0 3 465.646 4.813 20 0 JJADHN CC(C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001359728458 1064276030 /nfs/dbraw/zinc/27/60/30/1064276030.db2.gz DEPDNSDCAMPJKY-QHCPKHFHSA-N 0 3 452.691 4.660 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC)(CC)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001545874580 1064291300 /nfs/dbraw/zinc/29/13/00/1064291300.db2.gz WKHUUTBDJVLLFT-UHFFFAOYSA-N 0 3 490.762 4.575 20 0 JJADHN CC(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001359738962 1064304488 /nfs/dbraw/zinc/30/44/88/1064304488.db2.gz HYXADLVKNCKPOK-UWJYYQICSA-N 0 3 489.437 4.960 20 0 JJADHN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001434880363 1064312992 /nfs/dbraw/zinc/31/29/92/1064312992.db2.gz CBBSMMPXFUXMRL-UGKGYDQZSA-N 0 3 451.014 4.945 20 0 JJADHN CC(C)[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001359746661 1064324984 /nfs/dbraw/zinc/32/49/84/1064324984.db2.gz KVTCSEUUYMQJBA-VQTJNVASSA-N 0 3 460.047 4.824 20 0 JJADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cccc(Oc4ccc(Cl)cc4)c3)cc21 ZINC001434931493 1064358453 /nfs/dbraw/zinc/35/84/53/1064358453.db2.gz UDNVKIMXTMCPDB-UHFFFAOYSA-N 0 3 451.910 4.854 20 0 JJADHN CC(C)[C@H]1OCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359761419 1064371675 /nfs/dbraw/zinc/37/16/75/1064371675.db2.gz HFEUZBBQDXFXIS-DENIHFKCSA-N 0 3 460.066 4.970 20 0 JJADHN CCCN(C(=O)C1(c2cncc(Br)c2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001434976519 1064392169 /nfs/dbraw/zinc/39/21/69/1064392169.db2.gz LTAXKLHQFYRKOJ-QFIPXVFZSA-N 0 3 456.428 4.779 20 0 JJADHN CC(C)Cc1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001359793719 1064451934 /nfs/dbraw/zinc/45/19/34/1064451934.db2.gz QZFBTNYXXTWXGW-SXLOBPIMSA-N 0 3 459.685 4.869 20 0 JJADHN CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001359793716 1064452055 /nfs/dbraw/zinc/45/20/55/1064452055.db2.gz QZFBTNYXXTWXGW-DFQSSKMNSA-N 0 3 459.685 4.869 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435062110 1064480798 /nfs/dbraw/zinc/48/07/98/1064480798.db2.gz DEFRIBBHPUIOEW-SIKLNZKXSA-N 0 3 451.355 4.595 20 0 JJADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435062105 1064480977 /nfs/dbraw/zinc/48/09/77/1064480977.db2.gz DEFRIBBHPUIOEW-DENIHFKCSA-N 0 3 451.355 4.595 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001435063962 1064482677 /nfs/dbraw/zinc/48/26/77/1064482677.db2.gz MESPTFYWOVTKTG-UHFFFAOYSA-N 0 3 452.824 4.999 20 0 JJADHN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001435108749 1064518324 /nfs/dbraw/zinc/51/83/24/1064518324.db2.gz OCRIMXJXMVIRIY-ROUUACIJSA-N 0 3 456.505 4.738 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001359833471 1064518884 /nfs/dbraw/zinc/51/88/84/1064518884.db2.gz YAUROBHHCOHPMJ-XZOQPEGZSA-N 0 3 484.689 4.615 20 0 JJADHN CC(C)Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001359833468 1064519022 /nfs/dbraw/zinc/51/90/22/1064519022.db2.gz YAUROBHHCOHPMJ-DHIUTWEWSA-N 0 3 484.689 4.615 20 0 JJADHN CSc1cccc(N(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)C2CCN(C)CC2)c1 ZINC001435148043 1064547968 /nfs/dbraw/zinc/54/79/68/1064547968.db2.gz IVUHYOMLXAWPLI-SFHVURJKSA-N 0 3 452.546 4.629 20 0 JJADHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001359859949 1064548614 /nfs/dbraw/zinc/54/86/14/1064548614.db2.gz KTEKKULUONMACM-UHFFFAOYSA-N 0 3 486.671 4.699 20 0 JJADHN CSc1cccc(N(C(=O)Cc2ccc(Br)cc2F)C2CCN(C)CC2)c1 ZINC001435150283 1064550456 /nfs/dbraw/zinc/55/04/56/1064550456.db2.gz SVQCYWMJAVFBGM-UHFFFAOYSA-N 0 3 451.405 4.980 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC001435190227 1064579539 /nfs/dbraw/zinc/57/95/39/1064579539.db2.gz WAPNSZACGZNQQN-JOCHJYFZSA-N 0 3 451.636 4.754 20 0 JJADHN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001359891313 1064591517 /nfs/dbraw/zinc/59/15/17/1064591517.db2.gz ZHOZKSPWPXHJDF-JOCHJYFZSA-N 0 3 498.535 4.877 20 0 JJADHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001435207472 1064592152 /nfs/dbraw/zinc/59/21/52/1064592152.db2.gz QCPDCQQSFCYOLK-IBGZPJMESA-N 0 3 451.014 4.808 20 0 JJADHN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001359944405 1064691712 /nfs/dbraw/zinc/69/17/12/1064691712.db2.gz SBVDJRQWYCYMKJ-QFIPXVFZSA-N 0 3 483.701 4.890 20 0 JJADHN CC(C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(CC2CC2)CC1 ZINC001359964278 1064738496 /nfs/dbraw/zinc/73/84/96/1064738496.db2.gz QMQRGHANJKRQEF-UHFFFAOYSA-N 0 3 466.457 4.847 20 0 JJADHN CN(C)CCN(Cc1cccs1)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001435421948 1064750016 /nfs/dbraw/zinc/75/00/16/1064750016.db2.gz MKCCBVIIQLIPFV-UHFFFAOYSA-N 0 3 452.349 4.509 20 0 JJADHN Cc1ccc(CN(CCN(C)C)C(=O)c2csc(-c3ccc(Br)s3)n2)o1 ZINC001435472332 1064777437 /nfs/dbraw/zinc/77/74/37/1064777437.db2.gz QGQMCOVZJJLKDC-UHFFFAOYSA-N 0 3 454.415 4.740 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001360015043 1064813736 /nfs/dbraw/zinc/81/37/36/1064813736.db2.gz MSPARZVHBFBOBT-XLIONFOSSA-N 0 3 464.427 4.624 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001360017596 1064818531 /nfs/dbraw/zinc/81/85/31/1064818531.db2.gz GOLLNBVZOQETPL-UHFFFAOYSA-N 0 3 496.425 4.874 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001360018628 1064820419 /nfs/dbraw/zinc/82/04/19/1064820419.db2.gz UABBZDAKABPEKW-VXKWHMMOSA-N 0 3 453.675 4.836 20 0 JJADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCCSC2)CC1 ZINC001360019038 1064821950 /nfs/dbraw/zinc/82/19/50/1064821950.db2.gz YOYYYMDFTYECHK-INIZCTEOSA-N 0 3 484.533 4.690 20 0 JJADHN CC(C)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccccc2OCC(F)(F)F)CC1 ZINC001360025728 1064827631 /nfs/dbraw/zinc/82/76/31/1064827631.db2.gz VQZFOAPRFYFHMV-UHFFFAOYSA-N 0 3 465.564 4.703 20 0 JJADHN CC(C)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360024135 1064827693 /nfs/dbraw/zinc/82/76/93/1064827693.db2.gz HCYNNKYWOFPIEZ-HXUWFJFHSA-N 0 3 453.528 4.945 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001360024919 1064827749 /nfs/dbraw/zinc/82/77/49/1064827749.db2.gz NIJBMMUEYKMKJE-XPWALMASSA-N 0 3 488.721 4.607 20 0 JJADHN O=C(c1ncccc1Br)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001360028570 1064830382 /nfs/dbraw/zinc/83/03/82/1064830382.db2.gz MEAZESARPZLKJA-UHFFFAOYSA-N 0 3 457.199 4.889 20 0 JJADHN CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)c2ccccc2F)CC1 ZINC001360029475 1064831099 /nfs/dbraw/zinc/83/10/99/1064831099.db2.gz SJXOYRQLQSSOPB-UHFFFAOYSA-N 0 3 455.647 4.825 20 0 JJADHN CC(C)CN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001360032064 1064834469 /nfs/dbraw/zinc/83/44/69/1064834469.db2.gz SDNKBCJUQURFFR-BDYUSTAISA-N 0 3 467.702 4.683 20 0 JJADHN CC(C)CN1CCN(c2nnc(CC3CCCC3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001360032769 1064835261 /nfs/dbraw/zinc/83/52/61/1064835261.db2.gz YDOJBVSENXRAPA-UHFFFAOYSA-N 0 3 493.622 4.705 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[C@H]2CCCCO2)CC1 ZINC001360033529 1064835982 /nfs/dbraw/zinc/83/59/82/1064835982.db2.gz COZKLTMGJDMPQY-HXUWFJFHSA-N 0 3 496.483 4.901 20 0 JJADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H]2CCC=CO2)CC1 ZINC001360033758 1064837064 /nfs/dbraw/zinc/83/70/64/1064837064.db2.gz JMCYWRPMIZKJKC-IBGZPJMESA-N 0 3 480.440 4.635 20 0 JJADHN CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001360034852 1064839471 /nfs/dbraw/zinc/83/94/71/1064839471.db2.gz YFQUOOGOINMSDW-WOJBJXKFSA-N 0 3 469.527 4.529 20 0 JJADHN CC(C)COC(=O)N1CCCN(c2nnc(C3CCCC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001360041674 1064857585 /nfs/dbraw/zinc/85/75/85/1064857585.db2.gz GFKOOUZJGDLKFX-OAQYLSRUSA-N 0 3 488.702 4.605 20 0 JJADHN CC(C)CSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(C)C)CC1 ZINC001360083170 1064944829 /nfs/dbraw/zinc/94/48/29/1064944829.db2.gz ZELMVAOHGJWWOU-UHFFFAOYSA-N 0 3 452.672 4.661 20 0 JJADHN CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001435810419 1065003981 /nfs/dbraw/zinc/00/39/81/1065003981.db2.gz ZASLCYDWXDVINR-QFIPXVFZSA-N 0 3 456.512 4.936 20 0 JJADHN Cc1cc(Br)c(NC(=O)CCCN2CCN(c3ccccc3)CC2)cc1Cl ZINC001435842914 1065019506 /nfs/dbraw/zinc/01/95/06/1065019506.db2.gz WIGABCQOJDWSDK-UHFFFAOYSA-N 0 3 450.808 4.952 20 0 JJADHN CCOC(=O)C1CCC(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)CC1 ZINC001435854711 1065026014 /nfs/dbraw/zinc/02/60/14/1065026014.db2.gz HSEGZBXVVHGTQY-KXXGJQBSSA-N 0 3 450.570 4.756 20 0 JJADHN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001435888828 1065046033 /nfs/dbraw/zinc/04/60/33/1065046033.db2.gz FYMMTYSKGGMBJZ-TUNPGAEXSA-N 0 3 452.904 4.693 20 0 JJADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1CSc1ccccc1F ZINC001435969069 1065086277 /nfs/dbraw/zinc/08/62/77/1065086277.db2.gz WLZAHTVDUQSKOK-GOSISDBHSA-N 0 3 455.599 4.620 20 0 JJADHN CCN1CCN(c2cccc(NC(=O)CCc3c(C)nn(Cc4ccc(C)cc4)c3C)c2)CC1 ZINC001435976518 1065089089 /nfs/dbraw/zinc/08/90/89/1065089089.db2.gz QDNFBIYQASCUPH-UHFFFAOYSA-N 0 3 459.638 4.570 20 0 JJADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001435993124 1065097806 /nfs/dbraw/zinc/09/78/06/1065097806.db2.gz AIAXUOFCWCHNAT-QFIPXVFZSA-N 0 3 455.400 4.521 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001435995113 1065098764 /nfs/dbraw/zinc/09/87/64/1065098764.db2.gz OBSKZQRGNMYMKC-HSZRJFAPSA-N 0 3 452.549 4.526 20 0 JJADHN CCCN(C)[C@H](CNC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1 ZINC001436197982 1065245655 /nfs/dbraw/zinc/24/56/55/1065245655.db2.gz QWTVSCKJBHOZPN-QGZVFWFLSA-N 0 3 453.764 4.644 20 0 JJADHN CN(C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1)[C@H]1CCCN(C)C1 ZINC001360387169 1065251672 /nfs/dbraw/zinc/25/16/72/1065251672.db2.gz BMYXPUOTZAXFPD-QFIPXVFZSA-N 0 3 453.652 4.881 20 0 JJADHN CC(C)SCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC001360415314 1065277934 /nfs/dbraw/zinc/27/79/34/1065277934.db2.gz RUCMVGHGLYTAIM-IBGZPJMESA-N 0 3 461.651 4.763 20 0 JJADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)C1 ZINC001436282091 1065286142 /nfs/dbraw/zinc/28/61/42/1065286142.db2.gz YFBXFHUYPNZWTH-OAQYLSRUSA-N 0 3 451.998 4.920 20 0 JJADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)C1 ZINC001436281598 1065286240 /nfs/dbraw/zinc/28/62/40/1065286240.db2.gz UXDZVPLZMKHYCE-HNNXBMFYSA-N 0 3 453.327 4.645 20 0 JJADHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)N(C)C ZINC001360448452 1065339579 /nfs/dbraw/zinc/33/95/79/1065339579.db2.gz RDIYZONPWIJSRP-UNMCSNQZSA-N 0 3 496.725 4.887 20 0 JJADHN COc1ccc(OC(F)F)c(COC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001360448950 1065340129 /nfs/dbraw/zinc/34/01/29/1065340129.db2.gz BHCFQEGFZXSMMF-WOJBJXKFSA-N 0 3 474.529 4.712 20 0 JJADHN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)N(C)C ZINC001360454218 1065350660 /nfs/dbraw/zinc/35/06/60/1065350660.db2.gz FUAVZSMVQMVHOV-AUSIDOKSSA-N 0 3 499.681 4.650 20 0 JJADHN O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001436605013 1065395926 /nfs/dbraw/zinc/39/59/26/1065395926.db2.gz LGBNNODJVHVZKI-RTWAWAEBSA-N 0 3 457.968 4.822 20 0 JJADHN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001545901384 1065437284 /nfs/dbraw/zinc/43/72/84/1065437284.db2.gz LLTJWIPXTMBNTJ-INIZCTEOSA-N 0 3 454.373 4.713 20 0 JJADHN CC(C)N(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC001437026681 1065497676 /nfs/dbraw/zinc/49/76/76/1065497676.db2.gz FUOCBCBCPQWCIU-SFHVURJKSA-N 0 3 458.393 4.699 20 0 JJADHN C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccs1)N(C)C)c1ccccc1 ZINC001360525379 1065502252 /nfs/dbraw/zinc/50/22/52/1065502252.db2.gz TWPHVSMMDJKPEW-HJNYFJLDSA-N 0 3 453.656 4.776 20 0 JJADHN CCCCCCOc1ccc(CC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 ZINC001437368946 1065543557 /nfs/dbraw/zinc/54/35/57/1065543557.db2.gz BPXFWGJYGOKSGJ-SXOMAYOGSA-N 0 3 450.623 4.690 20 0 JJADHN CN1CCN(CCCOc2ccc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)cc2)CC1 ZINC001437380043 1065545508 /nfs/dbraw/zinc/54/55/08/1065545508.db2.gz BHDXCZPYYOLCHW-UHFFFAOYSA-N 0 3 455.908 4.627 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001545907393 1065565367 /nfs/dbraw/zinc/56/53/67/1065565367.db2.gz HSVGUSKVHHLWJB-DNQXCXABSA-N 0 3 498.741 4.583 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545912293 1065652529 /nfs/dbraw/zinc/65/25/29/1065652529.db2.gz NOVIVQLMSCNNNC-IFMALSPDSA-N 0 3 486.730 4.590 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001545912294 1065652552 /nfs/dbraw/zinc/65/25/52/1065652552.db2.gz NOVIVQLMSCNNNC-IRLDBZIGSA-N 0 3 486.730 4.590 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)COC/C=C\c2ccccc2)cc1 ZINC001438322670 1065709415 /nfs/dbraw/zinc/70/94/15/1065709415.db2.gz AVTBSVQKXKEFHS-SZXLNIFMSA-N 0 3 456.586 4.509 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)COc2ccccc2C(C)C)cc1 ZINC001438339756 1065712340 /nfs/dbraw/zinc/71/23/40/1065712340.db2.gz QXVMNMFDUSPXQU-RRPNLBNLSA-N 0 3 458.602 4.982 20 0 JJADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001360641338 1065713086 /nfs/dbraw/zinc/71/30/86/1065713086.db2.gz GYKHNSWFYDKCBH-QPPBQGQZSA-N 0 3 496.700 4.807 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001438576502 1065733365 /nfs/dbraw/zinc/73/33/65/1065733365.db2.gz ZIIIMEUQBPKUCO-GOTSBHOMSA-N 0 3 455.643 4.585 20 0 JJADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN1CCCCC1 ZINC001360746135 1065787518 /nfs/dbraw/zinc/78/75/18/1065787518.db2.gz UBQKBCIGPHDHRU-NFBKMPQASA-N 0 3 473.637 4.827 20 0 JJADHN Cc1c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001360748408 1065789550 /nfs/dbraw/zinc/78/95/50/1065789550.db2.gz YCLTYJMKGLWAJS-SFHVURJKSA-N 0 3 456.512 4.936 20 0 JJADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001360748761 1065791133 /nfs/dbraw/zinc/79/11/33/1065791133.db2.gz FWFRSBSCFNARRE-CCLHPLFOSA-N 0 3 499.631 4.616 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001545922847 1065833357 /nfs/dbraw/zinc/83/33/57/1065833357.db2.gz VUTUTEGXCOVRFV-HXUWFJFHSA-N 0 3 484.664 4.594 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN1CCCCC1 ZINC001360773275 1065871136 /nfs/dbraw/zinc/87/11/36/1065871136.db2.gz KNTHBSNPHHXGRU-RTBURBONSA-N 0 3 499.553 4.591 20 0 JJADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360774695 1065873886 /nfs/dbraw/zinc/87/38/86/1065873886.db2.gz SZVHUPSDCHXOJU-CCLHPLFOSA-N 0 3 487.664 4.809 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001360774798 1065874835 /nfs/dbraw/zinc/87/48/35/1065874835.db2.gz SZVHUPSDCHXOJU-NFQMXDRXSA-N 0 3 487.664 4.809 20 0 JJADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001360774863 1065875530 /nfs/dbraw/zinc/87/55/30/1065875530.db2.gz UVIPFSWMUWAMOL-TXTKFYIRSA-N 0 3 473.637 4.540 20 0 JJADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001360805274 1065916865 /nfs/dbraw/zinc/91/68/65/1065916865.db2.gz NAAGJJSBRIWBOR-INIZCTEOSA-N 0 3 463.468 4.783 20 0 JJADHN CC1CCN([C@@H](CNC(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)c2cccs2)CC1 ZINC001440389656 1065936778 /nfs/dbraw/zinc/93/67/78/1065936778.db2.gz OYKPWMRCYOWYGC-QYXIYQDXSA-N 0 3 461.672 4.817 20 0 JJADHN CCN1CCN(c2ccc(NC(=O)c3sc(NC(=O)OC(C)(C)C)nc3C)c(C)c2)CC1 ZINC001440611853 1065954397 /nfs/dbraw/zinc/95/43/97/1065954397.db2.gz BSADKZCRLUYUBK-UHFFFAOYSA-N 0 3 459.616 4.501 20 0 JJADHN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001440664111 1065960721 /nfs/dbraw/zinc/96/07/21/1065960721.db2.gz FVZDVKPCXGFRJB-HSZRJFAPSA-N 0 3 459.565 4.649 20 0 JJADHN CN(C)[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)Cc1ccccc1 ZINC001440665731 1065960963 /nfs/dbraw/zinc/96/09/63/1065960963.db2.gz JSDDMFLOYQZRGY-IBGZPJMESA-N 0 3 454.368 4.539 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)N(C)C)cc1 ZINC001440669736 1065961450 /nfs/dbraw/zinc/96/14/50/1065961450.db2.gz ALLUNCQFKWPAPE-OAQYLSRUSA-N 0 3 451.592 4.604 20 0 JJADHN CCc1ccc([C@H](CNC(=O)[C@H]2Cc3c(cccc3C)N2C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001440672460 1065962086 /nfs/dbraw/zinc/96/20/86/1065962086.db2.gz NATONCOOLZACCM-RPWUZVMVSA-N 0 3 451.611 4.643 20 0 JJADHN CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001440679843 1065964832 /nfs/dbraw/zinc/96/48/32/1065964832.db2.gz VXKVLNMVSYCODF-LEWJYISDSA-N 0 3 455.624 4.883 20 0 JJADHN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CCC(C)C)c1C ZINC001360873277 1066008492 /nfs/dbraw/zinc/00/84/92/1066008492.db2.gz GGFZKJDSBFTKGG-RPBOFIJWSA-N 0 3 482.717 4.686 20 0 JJADHN O=C(CCCC(=O)c1ccc(Br)cc1)NC1CCN(CCc2ccccc2)CC1 ZINC001441175351 1066011456 /nfs/dbraw/zinc/01/14/56/1066011456.db2.gz KQCOPNFOTNNELK-UHFFFAOYSA-N 0 3 457.412 4.625 20 0 JJADHN CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCCCC1 ZINC001441220164 1066016520 /nfs/dbraw/zinc/01/65/20/1066016520.db2.gz BMEVUYKMWUPFQS-DNQXCXABSA-N 0 3 457.659 4.879 20 0 JJADHN CCN1CCN(Cc2ccc(NC(=O)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)CC1 ZINC001441314436 1066026341 /nfs/dbraw/zinc/02/63/41/1066026341.db2.gz UBVWBQONJJNFJY-UHFFFAOYSA-N 0 3 459.590 4.942 20 0 JJADHN O=C(NCCc1ccc(N2CCCCC2)cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001441371348 1066035852 /nfs/dbraw/zinc/03/58/52/1066035852.db2.gz NBJNGVLPLFLPGI-RUZDIDTESA-N 0 3 459.556 4.790 20 0 JJADHN Cn1c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc2cc(C(F)(F)F)ccc21 ZINC001441702210 1066062985 /nfs/dbraw/zinc/06/29/85/1066062985.db2.gz KXQLOUIDKUQLIJ-UHFFFAOYSA-N 0 3 458.528 4.529 20 0 JJADHN CC1CCN([C@@H](CNC(=O)c2cnc3ncc(Br)cc3c2)c2ccccc2)CC1 ZINC001442081245 1066091224 /nfs/dbraw/zinc/09/12/24/1066091224.db2.gz XBOUYLRWFHRVEZ-NRFANRHFSA-N 0 3 453.384 4.595 20 0 JJADHN CCOc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1OCC ZINC001442284123 1066111353 /nfs/dbraw/zinc/11/13/53/1066111353.db2.gz ALINOZDXIUJNSP-PMACEKPBSA-N 0 3 452.595 4.565 20 0 JJADHN CCN(CC)[C@H](CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001442305513 1066114658 /nfs/dbraw/zinc/11/46/58/1066114658.db2.gz LMGKNCPRQJYOPG-GOSISDBHSA-N 0 3 459.553 4.898 20 0 JJADHN CCN(CC)[C@H](CNC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001442304286 1066114852 /nfs/dbraw/zinc/11/48/52/1066114852.db2.gz HVILOVCMXPJBRJ-FGTMMUONSA-N 0 3 454.455 4.952 20 0 JJADHN CC[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N(CC)CC)N(C)C(=O)OC(C)(C)C ZINC001442312713 1066115865 /nfs/dbraw/zinc/11/58/65/1066115865.db2.gz WIKOHFCSIYWFQF-OALUTQOASA-N 0 3 459.553 4.850 20 0 JJADHN Cc1ccsc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001360959592 1066117066 /nfs/dbraw/zinc/11/70/66/1066117066.db2.gz IQEGMBPMVXZLOA-UHFFFAOYSA-N 0 3 461.582 4.885 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)N(C)C)cc1 ZINC001442475855 1066130418 /nfs/dbraw/zinc/13/04/18/1066130418.db2.gz NXQAGEKZPGRAGS-OAQYLSRUSA-N 0 3 454.368 4.978 20 0 JJADHN Cc1ccoc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)CC1 ZINC001360977394 1066134706 /nfs/dbraw/zinc/13/47/06/1066134706.db2.gz OCAJJEXDKATCSJ-UHFFFAOYSA-N 0 3 478.424 4.892 20 0 JJADHN CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC1 ZINC001442548950 1066135804 /nfs/dbraw/zinc/13/58/04/1066135804.db2.gz HATIDGHDBDHODQ-UHFFFAOYSA-N 0 3 459.656 4.539 20 0 JJADHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001442592621 1066141757 /nfs/dbraw/zinc/14/17/57/1066141757.db2.gz MQVYKBOXGBBTEH-VJBWXMMDSA-N 0 3 453.583 4.512 20 0 JJADHN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)N(C)C ZINC001360985436 1066147135 /nfs/dbraw/zinc/14/71/35/1066147135.db2.gz APYUTQAAJQXKGX-FQEVSTJZSA-N 0 3 482.698 4.923 20 0 JJADHN CC(C)N(CCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C ZINC001442722807 1066155745 /nfs/dbraw/zinc/15/57/45/1066155745.db2.gz MSOXGXWHOKZOQO-UHFFFAOYSA-N 0 3 459.553 4.631 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001442733688 1066156370 /nfs/dbraw/zinc/15/63/70/1066156370.db2.gz YKQXPGHONOXFCN-UHFFFAOYSA-N 0 3 450.892 4.953 20 0 JJADHN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)c(C)o1 ZINC001360994279 1066173629 /nfs/dbraw/zinc/17/36/29/1066173629.db2.gz GJXPPBKWDKPJMJ-OAQYLSRUSA-N 0 3 498.697 4.549 20 0 JJADHN Cc1ccc([C@@](O)(CC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C(F)(F)F)o1 ZINC001454123754 1066248430 /nfs/dbraw/zinc/24/84/30/1066248430.db2.gz YBAWRHYEQQQNFI-QHCPKHFHSA-N 0 3 452.517 4.630 20 0 JJADHN CN(C(=O)c1cc(Br)c2ccccc2c1)C1CCN(CCc2ccccn2)CC1 ZINC001443007860 1066251988 /nfs/dbraw/zinc/25/19/88/1066251988.db2.gz ABAWNYKEXNJOHZ-UHFFFAOYSA-N 0 3 452.396 4.776 20 0 JJADHN C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001454399487 1066277750 /nfs/dbraw/zinc/27/77/50/1066277750.db2.gz FWUGBIXKESPMOR-IMSXRSKXSA-N 0 3 457.659 4.687 20 0 JJADHN CCOc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)ccc1OCc1cccnc1 ZINC001454400429 1066278115 /nfs/dbraw/zinc/27/81/15/1066278115.db2.gz LCQOKTWVANUIOQ-BWKNWUBXSA-N 0 3 459.590 4.700 20 0 JJADHN Cc1sc2ncnc(SCCC(=O)N[C@@H]3CN(Cc4ccccc4)CC[C@H]3C)c2c1C ZINC001454408325 1066280256 /nfs/dbraw/zinc/28/02/56/1066280256.db2.gz SSXLOACOJXZLET-OXQOHEQNSA-N 0 3 454.665 4.817 20 0 JJADHN CCC1(N2CCOCC2)CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001454475599 1066289105 /nfs/dbraw/zinc/28/91/05/1066289105.db2.gz DKCZOLLLXCCXJG-UHFFFAOYSA-N 0 3 457.014 4.565 20 0 JJADHN C[C@@H](CNC(=O)c1ccc(Cl)cc1Sc1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC001443435064 1066310763 /nfs/dbraw/zinc/31/07/63/1066310763.db2.gz ZAXIRFQNTOJLAG-INIZCTEOSA-N 0 3 452.451 4.758 20 0 JJADHN O=C(c1ccn2cc(C(F)(F)F)nc2c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001443534424 1066325425 /nfs/dbraw/zinc/32/54/25/1066325425.db2.gz BFSKQWGZLLMMIH-UHFFFAOYSA-N 0 3 450.892 4.745 20 0 JJADHN Cc1ccc2nc(CSCC(=O)N(CCN3CCCC3)Cc3ccc(Cl)cc3)cn2c1 ZINC001443534460 1066325602 /nfs/dbraw/zinc/32/56/02/1066325602.db2.gz BVNQLORATNAOAH-UHFFFAOYSA-N 0 3 457.043 4.654 20 0 JJADHN CC(C)(C)OC(=O)NC1(CC(=O)N(C2CC2)C2CCCC2)CCN(Cc2ccccc2)CC1 ZINC001443568506 1066329541 /nfs/dbraw/zinc/32/95/41/1066329541.db2.gz LPSOZDZFMOZYLU-UHFFFAOYSA-N 0 3 455.643 4.870 20 0 JJADHN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001454842449 1066336278 /nfs/dbraw/zinc/33/62/78/1066336278.db2.gz FBOVOCZZBPRHJI-HSZRJFAPSA-N 0 3 451.611 4.538 20 0 JJADHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)C2)cc1 ZINC001455008636 1066352824 /nfs/dbraw/zinc/35/28/24/1066352824.db2.gz FYUANLQAMSAEJW-FQEVSTJZSA-N 0 3 456.011 4.617 20 0 JJADHN C[C@@H](C(=O)N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC001443723071 1066357037 /nfs/dbraw/zinc/35/70/37/1066357037.db2.gz BLDFXODKDUXEEC-SFTDATJTSA-N 0 3 455.593 4.513 20 0 JJADHN Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cscn3)n2CCN2CCCCC2)c1 ZINC001361123572 1066373954 /nfs/dbraw/zinc/37/39/54/1066373954.db2.gz FXYIKJHYIYEGSC-UHFFFAOYSA-N 0 3 468.671 4.868 20 0 JJADHN Cc1nc2sc(-c3ccccc3)cc2c(NCC(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC001444074805 1066400315 /nfs/dbraw/zinc/40/03/15/1066400315.db2.gz BTBNEZRHHWJONP-SFHVURJKSA-N 0 3 459.619 4.715 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC001361138505 1066413771 /nfs/dbraw/zinc/41/37/71/1066413771.db2.gz AZRYYEJHZGYQBT-FYYLOGMGSA-N 0 3 453.656 4.790 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccc(C)cc2)N(C)C)n1 ZINC001361140534 1066418096 /nfs/dbraw/zinc/41/80/96/1066418096.db2.gz CKZJIDPYQSCMGL-XMMPIXPASA-N 0 3 451.663 4.622 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(F)(F)F)CC2)N(C)C)cc1 ZINC001361140690 1066418911 /nfs/dbraw/zinc/41/89/11/1066418911.db2.gz FMIGGYRJIUYWLO-VQTJNVASSA-N 0 3 451.537 4.520 20 0 JJADHN Cc1ccc([C@H](Cn2c(N3CC[C@H](C)C(C)(C)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001361140859 1066419431 /nfs/dbraw/zinc/41/94/31/1066419431.db2.gz HRWPPKOMNVOQHA-SNUWEPMUSA-N 0 3 483.701 4.802 20 0 JJADHN Cc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)OC(C)(C)C2)N(C)C)cc1 ZINC001361141266 1066420143 /nfs/dbraw/zinc/42/01/43/1066420143.db2.gz LVYXPSULTHTBMB-KELGSRBJSA-N 0 3 483.701 4.812 20 0 JJADHN C[C@@H]1CCC[C@H](C)CN1C(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001444217553 1066431033 /nfs/dbraw/zinc/43/10/33/1066431033.db2.gz JPRHVJQPXVASNZ-FCHUYYIVSA-N 0 3 457.659 4.973 20 0 JJADHN Cc1csc(C[C@@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)n1 ZINC001455887524 1066446270 /nfs/dbraw/zinc/44/62/70/1066446270.db2.gz KQFUWCYBAPVXSV-UGKGYDQZSA-N 0 3 451.558 4.687 20 0 JJADHN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)cc1Cl ZINC001455946834 1066457601 /nfs/dbraw/zinc/45/76/01/1066457601.db2.gz DIFSASLFMOKORW-LEWJYISDSA-N 0 3 461.027 4.620 20 0 JJADHN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001444420676 1066460707 /nfs/dbraw/zinc/46/07/07/1066460707.db2.gz AGPWKDWIPJKURJ-MRXNPFEDSA-N 0 3 451.792 4.999 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC(C)(C)C(C)C)c1 ZINC001361159824 1066465234 /nfs/dbraw/zinc/46/52/34/1066465234.db2.gz LIVYFAXLSNZEAY-HSZRJFAPSA-N 0 3 483.701 4.846 20 0 JJADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCSC2(C)C)c1 ZINC001361159956 1066465815 /nfs/dbraw/zinc/46/58/15/1066465815.db2.gz PGZUAZGTAZQQCH-QFIPXVFZSA-N 0 3 471.715 4.784 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001444506164 1066469470 /nfs/dbraw/zinc/46/94/70/1066469470.db2.gz TWVIHXGTXXDUAA-QHCPKHFHSA-N 0 3 455.643 4.823 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC001444541358 1066473415 /nfs/dbraw/zinc/47/34/15/1066473415.db2.gz NHBNYKJNMKPECZ-UHFFFAOYSA-N 0 3 450.341 4.887 20 0 JJADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@H](F)CC1CCCCC1 ZINC001444651955 1066488790 /nfs/dbraw/zinc/48/87/90/1066488790.db2.gz QVEVYUVANQBZMZ-OAQYLSRUSA-N 0 3 455.412 4.717 20 0 JJADHN CCCOc1nc2ccccc2cc1/C=C\C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001456053444 1066494531 /nfs/dbraw/zinc/49/45/31/1066494531.db2.gz GKQWVCJEDQSCRL-BENRWUELSA-N 0 3 453.533 4.905 20 0 JJADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001456054189 1066494987 /nfs/dbraw/zinc/49/49/87/1066494987.db2.gz HNYJIOAWAAOBOE-UHFFFAOYSA-N 0 3 453.814 4.977 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C\Sc1cc(F)ccc1F ZINC001456054157 1066495047 /nfs/dbraw/zinc/49/50/47/1066495047.db2.gz IZTMMUMUANQBCW-XFXZXTDPSA-N 0 3 455.368 4.924 20 0 JJADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)/C=C/Sc1cc(F)ccc1F ZINC001456054151 1066495201 /nfs/dbraw/zinc/49/52/01/1066495201.db2.gz IZTMMUMUANQBCW-FMIVXFBMSA-N 0 3 455.368 4.924 20 0 JJADHN CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001546078910 1066495815 /nfs/dbraw/zinc/49/58/15/1066495815.db2.gz BOFJBTIIFDNRCN-JTNFPWQOSA-N 0 3 496.700 4.978 20 0 JJADHN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001456055892 1066496595 /nfs/dbraw/zinc/49/65/95/1066496595.db2.gz JLXVMHQGRKLXNP-UHFFFAOYSA-N 0 3 453.008 4.656 20 0 JJADHN Cc1ccc(CC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC001456056260 1066496635 /nfs/dbraw/zinc/49/66/35/1066496635.db2.gz LMLLQKDDOVEEOZ-UHFFFAOYSA-N 0 3 457.334 4.909 20 0 JJADHN Cc1cccc(C(=O)N(CCN(C)C)Cc2ccc(Br)cc2)c1Br ZINC001456060100 1066497953 /nfs/dbraw/zinc/49/79/53/1066497953.db2.gz URKQJLBFJWILNU-UHFFFAOYSA-N 0 3 454.206 4.724 20 0 JJADHN CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001546079442 1066509931 /nfs/dbraw/zinc/50/99/31/1066509931.db2.gz MNWLMNDHLKBDQR-AREMUKBSSA-N 0 3 470.731 4.531 20 0 JJADHN CC(C)[C@H](CCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935310 1066519263 /nfs/dbraw/zinc/51/92/63/1066519263.db2.gz MXHMDDDSSFMORI-QPPBQGQZSA-N 0 3 459.675 4.727 20 0 JJADHN CC(C)[C@@H](CCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001444935319 1066519427 /nfs/dbraw/zinc/51/94/27/1066519427.db2.gz MXHMDDDSSFMORI-ZJSXRUAMSA-N 0 3 459.675 4.727 20 0 JJADHN CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC001456294505 1066556843 /nfs/dbraw/zinc/55/68/43/1066556843.db2.gz RBMLEMXGRMIBMY-ILBGXUMGSA-N 0 3 456.652 4.743 20 0 JJADHN Cc1ccoc1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001361221387 1066560201 /nfs/dbraw/zinc/56/02/01/1066560201.db2.gz XXANHVIRWWUELO-UHFFFAOYSA-N 0 3 472.431 4.886 20 0 JJADHN Cc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCCCOC(C)C)cc1Br ZINC001361223916 1066561890 /nfs/dbraw/zinc/56/18/90/1066561890.db2.gz CNYVHCGYSFORPG-UHFFFAOYSA-N 0 3 490.490 4.753 20 0 JJADHN CSc1cccc(N(C(=O)CCSc2ccc3c(c2)OCCO3)C2CCN(C)CC2)c1 ZINC001456336614 1066564977 /nfs/dbraw/zinc/56/49/77/1066564977.db2.gz IUQVFRJQZHIPHY-UHFFFAOYSA-N 0 3 458.649 4.789 20 0 JJADHN C[C@H](CNC(=O)c1cccnc1Oc1cccc(Br)c1)N(C)Cc1ccccc1 ZINC001456402130 1066579299 /nfs/dbraw/zinc/57/92/99/1066579299.db2.gz QHOIROYVSLNBJP-QGZVFWFLSA-N 0 3 454.368 4.887 20 0 JJADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001445778297 1066615938 /nfs/dbraw/zinc/61/59/38/1066615938.db2.gz CLBRMPQIIOBSJH-YVEFUNNKSA-N 0 3 450.764 4.502 20 0 JJADHN C[C@H]1C[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)CN1Cc1ccccc1 ZINC001445789403 1066617416 /nfs/dbraw/zinc/61/74/16/1066617416.db2.gz JSADIXUMCZJYIN-YJBOKZPZSA-N 0 3 458.425 4.771 20 0 JJADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](c1cccc(Cl)c1Cl)N(C)C(=O)OC(C)(C)C ZINC001445790312 1066618071 /nfs/dbraw/zinc/61/80/71/1066618071.db2.gz RWMMBGFNZFLDIQ-XVSDVWIESA-N 0 3 456.414 4.500 20 0 JJADHN CN(CCN(Cc1ccccc1)C(=O)Cc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC001361278786 1066636606 /nfs/dbraw/zinc/63/66/06/1066636606.db2.gz HFKXVEAYIOPNGW-UHFFFAOYSA-N 0 3 455.602 4.517 20 0 JJADHN C=C1c2ccccc2C(=O)N1CCC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001361278923 1066636687 /nfs/dbraw/zinc/63/66/87/1066636687.db2.gz KRQMXJNHVWSLFC-UHFFFAOYSA-N 0 3 453.586 4.664 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC001446085172 1066657456 /nfs/dbraw/zinc/65/74/56/1066657456.db2.gz GQMSFOFZFNZLPK-RCZVLFRGSA-N 0 3 452.595 4.862 20 0 JJADHN CC1=CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCN2CC=CCC2)C1 ZINC001492609655 1066671119 /nfs/dbraw/zinc/67/11/19/1066671119.db2.gz YTBFICCCZSVAMN-UHFFFAOYSA-N 0 3 462.823 4.779 20 0 JJADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 ZINC001446358361 1066696339 /nfs/dbraw/zinc/69/63/39/1066696339.db2.gz ZHEWVLLHCTVEDH-HSZRJFAPSA-N 0 3 451.592 4.537 20 0 JJADHN O=C(NCC1(c2cccc(Br)c2)CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001446364047 1066697018 /nfs/dbraw/zinc/69/70/18/1066697018.db2.gz GUPGYNRXAZNWOB-FQEVSTJZSA-N 0 3 456.428 4.684 20 0 JJADHN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C(C[C@@H]1COCCO1)C(F)(F)F ZINC001446462480 1066706952 /nfs/dbraw/zinc/70/69/52/1066706952.db2.gz UXNJARPVNCQOAX-UKRRQHHQSA-N 0 3 452.454 4.591 20 0 JJADHN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c(C)c1 ZINC001446585729 1066724071 /nfs/dbraw/zinc/72/40/71/1066724071.db2.gz RABJHFIPOAHHLX-BJKOFHAPSA-N 0 3 452.549 4.515 20 0 JJADHN O=C(Nc1cccc(N2CCN(CCc3ccccc3)CC2)c1)c1cccc(C(F)(F)F)n1 ZINC001446824345 1066744898 /nfs/dbraw/zinc/74/48/98/1066744898.db2.gz MMFPIFUCQUPNDY-UHFFFAOYSA-N 0 3 454.496 4.717 20 0 JJADHN Cc1csc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC001492647164 1066750878 /nfs/dbraw/zinc/75/08/78/1066750878.db2.gz YPKGARDSWHIBQZ-KNQAVFIVSA-N 0 3 457.619 4.620 20 0 JJADHN Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2C[C@H](c2ccccc2)N(C)C)cs1 ZINC001492663723 1066783923 /nfs/dbraw/zinc/78/39/23/1066783923.db2.gz HQJJMUIIDDEBLN-UWFXLKAESA-N 0 3 452.672 4.952 20 0 JJADHN Cc1nc(Cc2nnc(N(C)C3CCC(C)CC3)n2CCN(C)Cc2ccccc2)cs1 ZINC001492664756 1066785093 /nfs/dbraw/zinc/78/50/93/1066785093.db2.gz WOGBOAIUXPYKOI-UHFFFAOYSA-N 0 3 452.672 4.781 20 0 JJADHN CS[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C[C@H]1N1CCCC1 ZINC001447359365 1066798101 /nfs/dbraw/zinc/79/81/01/1066798101.db2.gz FGXSLKIHEGSCCJ-IEBWSBKVSA-N 0 3 452.407 4.833 20 0 JJADHN CCN(C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001447361482 1066798677 /nfs/dbraw/zinc/79/86/77/1066798677.db2.gz RWGIWICHTRAQCZ-IAPPQJPRSA-N 0 3 458.602 4.812 20 0 JJADHN CC(C)N1CCC[C@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428476 1066808098 /nfs/dbraw/zinc/80/80/98/1066808098.db2.gz BGECJYPWOSINSZ-IBGZPJMESA-N 0 3 457.500 4.556 20 0 JJADHN CC(C)N1CCC[C@@H](NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC001447428482 1066808123 /nfs/dbraw/zinc/80/81/23/1066808123.db2.gz BGECJYPWOSINSZ-LJQANCHMSA-N 0 3 457.500 4.556 20 0 JJADHN CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001457363759 1066817138 /nfs/dbraw/zinc/81/71/38/1066817138.db2.gz NJCQBVLROLQQAW-DWXRJYCRSA-N 0 3 455.599 4.652 20 0 JJADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC001492680172 1066822500 /nfs/dbraw/zinc/82/25/00/1066822500.db2.gz CQBVUWREWABTKM-UHFFFAOYSA-N 0 3 496.578 4.761 20 0 JJADHN COc1cccc(CN(CCN(C)C)C(=O)CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC001447711138 1066845736 /nfs/dbraw/zinc/84/57/36/1066845736.db2.gz NMVCHUUBQZVBOR-UHFFFAOYSA-N 0 3 456.590 4.557 20 0 JJADHN CN(C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457540543 1066855904 /nfs/dbraw/zinc/85/59/04/1066855904.db2.gz UYQXYEOTIJVVAD-RBZQAINGSA-N 0 3 457.659 4.973 20 0 JJADHN CN(C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457540577 1066855927 /nfs/dbraw/zinc/85/59/27/1066855927.db2.gz UYQXYEOTIJVVAD-VXNXHJTFSA-N 0 3 457.659 4.973 20 0 JJADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001448126892 1066902896 /nfs/dbraw/zinc/90/28/96/1066902896.db2.gz UOJZRFHVDWDOAD-XZOQPEGZSA-N 0 3 451.611 4.798 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccs3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001492732164 1066904162 /nfs/dbraw/zinc/90/41/62/1066904162.db2.gz JZXGYDKVNQIGJB-RTBURBONSA-N 0 3 469.684 4.763 20 0 JJADHN Cc1c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)cnn1-c1ccccc1Cl ZINC001457748193 1066910316 /nfs/dbraw/zinc/91/03/16/1066910316.db2.gz SSZJKEMEJSCPLE-UHFFFAOYSA-N 0 3 452.002 4.925 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001492741350 1066917116 /nfs/dbraw/zinc/91/71/16/1066917116.db2.gz YLYUDHSTHGSLDY-DEOSSOPVSA-N 0 3 477.682 4.919 20 0 JJADHN Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C(C)C)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001492741351 1066917160 /nfs/dbraw/zinc/91/71/60/1066917160.db2.gz YLYUDHSTHGSLDY-XMMPIXPASA-N 0 3 477.682 4.919 20 0 JJADHN CCn1cc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970285 1066949726 /nfs/dbraw/zinc/94/97/26/1066949726.db2.gz PDGVXQKCEDUXFY-NRFANRHFSA-N 0 3 451.998 4.849 20 0 JJADHN CCn1cc(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC001457970289 1066950130 /nfs/dbraw/zinc/95/01/30/1066950130.db2.gz PDGVXQKCEDUXFY-OAQYLSRUSA-N 0 3 451.998 4.849 20 0 JJADHN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001448921607 1066970104 /nfs/dbraw/zinc/97/01/04/1066970104.db2.gz LUBYBVZLEVHAEA-UHFFFAOYSA-N 0 3 455.908 4.849 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722603 1066978369 /nfs/dbraw/zinc/97/83/69/1066978369.db2.gz XISNXZMQXNJQTC-FYYLOGMGSA-N 0 3 495.741 4.542 20 0 JJADHN CC[C@H](c1nnc(N(C)C[C@H](C)c2nccs2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545722605 1066978402 /nfs/dbraw/zinc/97/84/02/1066978402.db2.gz XISNXZMQXNJQTC-GMAHTHKFSA-N 0 3 495.741 4.542 20 0 JJADHN CC[C@@H](c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC001545724013 1066980105 /nfs/dbraw/zinc/98/01/05/1066980105.db2.gz KNTUJINXAKWQAZ-CEMLEFRQSA-N 0 3 453.656 4.657 20 0 JJADHN Cc1cc(NC(=O)c2c(F)cccc2Br)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC001458124288 1066982680 /nfs/dbraw/zinc/98/26/80/1066982680.db2.gz KHSATBLAZAFDRY-KRWDZBQOSA-N 0 3 457.347 4.792 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(Cl)nc1)c1ccccc1 ZINC001545731545 1066991700 /nfs/dbraw/zinc/99/17/00/1066991700.db2.gz PVNYJEOQXOYKIV-XQBPLPMBSA-N 0 3 453.034 4.836 20 0 JJADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC001545732007 1066993033 /nfs/dbraw/zinc/99/30/33/1066993033.db2.gz WESHESPCHZGVSS-MQSCRBSSSA-N 0 3 484.689 4.606 20 0 JJADHN CC[C@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN1CCC[C@@H]1C)c1ccccc1 ZINC001545734398 1066997289 /nfs/dbraw/zinc/99/72/89/1066997289.db2.gz RTWGCYRGQORERB-RXVVDRJESA-N 0 3 477.575 4.652 20 0 JJADHN CC[C@@H](c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN1CCC[C@H]1C)c1ccccc1 ZINC001545734399 1066997325 /nfs/dbraw/zinc/99/73/25/1066997325.db2.gz RTWGCYRGQORERB-WIYYLYMNSA-N 0 3 477.575 4.652 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001545736185 1066999846 /nfs/dbraw/zinc/99/98/46/1066999846.db2.gz LRXBGJZERZBTDT-ZCYQVOJMSA-N 0 3 466.718 4.720 20 0 JJADHN CC[C@H](c1nnc(N2CC[C@H](CC(C)C)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001545738124 1067001774 /nfs/dbraw/zinc/00/17/74/1067001774.db2.gz CFLQXHDIQOBTIJ-NOZRDPDXSA-N 0 3 466.718 4.718 20 0 JJADHN CCCN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 ZINC001449355786 1067002622 /nfs/dbraw/zinc/00/26/22/1067002622.db2.gz LQAHMYILFLSZIC-RDGATRHJSA-N 0 3 453.652 4.875 20 0 JJADHN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001449355569 1067002804 /nfs/dbraw/zinc/00/28/04/1067002804.db2.gz LUPAMRRWNZMAJC-KRWDZBQOSA-N 0 3 459.434 4.990 20 0 JJADHN CC[C@@H](c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1CC(C)(C)C(C)C)c1ccccc1 ZINC001545740635 1067005667 /nfs/dbraw/zinc/00/56/67/1067005667.db2.gz AZKUDMWSLANADR-LOSJGSFVSA-N 0 3 466.718 4.718 20 0 JJADHN CC[C@@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)N1CCc2ccccc2C1 ZINC001546014075 1067008492 /nfs/dbraw/zinc/00/84/92/1067008492.db2.gz BEAXJEXPXMVVKY-DEOSSOPVSA-N 0 3 475.685 4.962 20 0 JJADHN CC[C@H](Cn1c(N(C)Cc2cnc(C(C)C)nc2)nnc1C(C)(C)C)N1CCc2ccccc2C1 ZINC001546014076 1067008717 /nfs/dbraw/zinc/00/87/17/1067008717.db2.gz BEAXJEXPXMVVKY-XMMPIXPASA-N 0 3 475.685 4.962 20 0 JJADHN CC[C@@H](c1nnc(N2CCC[C@H]2C(C)C)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001545750043 1067022083 /nfs/dbraw/zinc/02/20/83/1067022083.db2.gz XJUZITTXFRDXNG-ARMFNRFLSA-N 0 3 466.718 4.718 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3cc(Oc4ccccc4)ccc3O)CC2)cc1 ZINC001449901516 1067035857 /nfs/dbraw/zinc/03/58/57/1067035857.db2.gz JOSIQZLZJVIVDX-UHFFFAOYSA-N 0 3 459.546 4.537 20 0 JJADHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001450046622 1067044437 /nfs/dbraw/zinc/04/44/37/1067044437.db2.gz JPKSVVYYSBCQIV-NHCUHLMSSA-N 0 3 459.403 4.891 20 0 JJADHN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001458387946 1067048483 /nfs/dbraw/zinc/04/84/83/1067048483.db2.gz QHYVGRHGCHZZPN-XUEUYAKLSA-N 0 3 454.920 4.987 20 0 JJADHN CSc1ccc([C@H](CNC(=O)[C@]23CCN(C(=O)OC(C)(C)C)[C@H]2CCCC3)N(C)C)cc1 ZINC001450125911 1067051097 /nfs/dbraw/zinc/05/10/97/1067051097.db2.gz IXFVJEGHKNGWQC-STWLZBDKSA-N 0 3 461.672 4.697 20 0 JJADHN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)O[C@@H](C)C2 ZINC001450126663 1067051348 /nfs/dbraw/zinc/05/13/48/1067051348.db2.gz JUBOEUXHKYOGGD-NQCBNZPSSA-N 0 3 454.636 4.653 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)c2ccccc2CCNC(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450128118 1067051728 /nfs/dbraw/zinc/05/17/28/1067051728.db2.gz LSWZMEFXKKUTKQ-JOCHJYFZSA-N 0 3 457.640 4.508 20 0 JJADHN CSc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)N(C)C)cc1 ZINC001450132512 1067051975 /nfs/dbraw/zinc/05/19/75/1067051975.db2.gz PXHOMMIEISDSBY-GHTZIAJQSA-N 0 3 454.665 4.654 20 0 JJADHN CSc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)N(C)C)cc1 ZINC001450140390 1067053505 /nfs/dbraw/zinc/05/35/05/1067053505.db2.gz YTDBIWMPSAXNEI-FQEVSTJZSA-N 0 3 459.413 4.594 20 0 JJADHN CCC(CC)(Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001545771325 1067058018 /nfs/dbraw/zinc/05/80/18/1067058018.db2.gz MBBQJMMHNVVTRU-LJQANCHMSA-N 0 3 461.626 4.683 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)C(F)(F)c2ccc(Br)cc2)N(C)C)cc1 ZINC001450538288 1067087677 /nfs/dbraw/zinc/08/76/77/1067087677.db2.gz CHIPULCZDPOTJJ-LJQANCHMSA-N 0 3 455.343 4.747 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccncc2)N(C)C)cc1 ZINC001450542939 1067088662 /nfs/dbraw/zinc/08/86/62/1067088662.db2.gz LSLGDQBUSSMNNT-HHHXNRCGSA-N 0 3 456.590 4.905 20 0 JJADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc2ccccc2c1 ZINC001458568332 1067089144 /nfs/dbraw/zinc/08/91/44/1067089144.db2.gz QHKCFHSAAQZKEN-HFZDXXHNSA-N 0 3 457.590 4.734 20 0 JJADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)N(C)C)cc1 ZINC001450553122 1067090500 /nfs/dbraw/zinc/09/05/00/1067090500.db2.gz ZEPZQZGOFKSEJY-JOCHJYFZSA-N 0 3 459.562 4.993 20 0 JJADHN CC1(C(=O)OCc2cn(-c3cccc(Cl)c3Cl)nn2)CCN(Cc2ccccc2)CC1 ZINC001458609937 1067094183 /nfs/dbraw/zinc/09/41/83/1067094183.db2.gz RASNPMIRIQTFGH-UHFFFAOYSA-N 0 3 459.377 4.920 20 0 JJADHN CCC(CC)[C@@H](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001545799064 1067103654 /nfs/dbraw/zinc/10/36/54/1067103654.db2.gz WJQOXKVVTIQRHR-XMMPIXPASA-N 0 3 490.092 4.741 20 0 JJADHN CC(C)[C@H]1C[C@H](CC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CCO1 ZINC001450698385 1067106131 /nfs/dbraw/zinc/10/61/31/1067106131.db2.gz XVRNRQJFNPMRLV-XMSQKQJNSA-N 0 3 451.449 4.713 20 0 JJADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC001450702040 1067106689 /nfs/dbraw/zinc/10/66/89/1067106689.db2.gz PRTUUALGQHKUCU-UHFFFAOYSA-N 0 3 454.368 4.841 20 0 JJADHN COc1ccc(CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C)C2CC2)c(OC)c1 ZINC001450710028 1067108821 /nfs/dbraw/zinc/10/88/21/1067108821.db2.gz ILNJFFCQZPOIQD-CVDCTZTESA-N 0 3 454.586 4.882 20 0 JJADHN CN(C)C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC001450712239 1067109421 /nfs/dbraw/zinc/10/94/21/1067109421.db2.gz XFAWWPOJNHXTLO-QHCPKHFHSA-N 0 3 454.929 4.508 20 0 JJADHN CN(CCCN(C)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Cc1ccncc1 ZINC001450725361 1067110808 /nfs/dbraw/zinc/11/08/08/1067110808.db2.gz WFLUXCQOSAFDRO-UHFFFAOYSA-N 0 3 457.500 4.833 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545804908 1067117566 /nfs/dbraw/zinc/11/75/66/1067117566.db2.gz DPUSAGGBODDKEQ-XXBNENTESA-N 0 3 491.627 4.920 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)C[C@H](C)C1)N1CCOCC1 ZINC001545805986 1067122087 /nfs/dbraw/zinc/12/20/87/1067122087.db2.gz WJOOLDGRGPPNFQ-WATLYSKOSA-N 0 3 469.674 4.573 20 0 JJADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)N(C)C)cc1 ZINC001450806675 1067124086 /nfs/dbraw/zinc/12/40/86/1067124086.db2.gz URSKSOCXZHTLDK-HXUWFJFHSA-N 0 3 451.592 4.770 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N(C)Cc1cc(Cl)ccn1)N1CCOCC1 ZINC001545807871 1067129628 /nfs/dbraw/zinc/12/96/28/1067129628.db2.gz PAYGKZLWWRIODM-DEOSSOPVSA-N 0 3 483.060 4.767 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(F)F)C1)N1CCOCC1 ZINC001545807962 1067130923 /nfs/dbraw/zinc/13/09/23/1067130923.db2.gz QBWXEGHTARHFBW-GGAORHGYSA-N 0 3 491.627 4.572 20 0 JJADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1)N1CCOCC1 ZINC001545808161 1067132329 /nfs/dbraw/zinc/13/23/29/1067132329.db2.gz TZTRLEYOUDLYRL-VXKWHMMOSA-N 0 3 478.106 4.677 20 0 JJADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](COC)C1)N1CCOCC1 ZINC001545809287 1067135772 /nfs/dbraw/zinc/13/57/72/1067135772.db2.gz ACLYBPHNDYINKG-JYFHCDHNSA-N 0 3 483.701 4.643 20 0 JJADHN CCN1CCCN(C(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC001450975631 1067138057 /nfs/dbraw/zinc/13/80/57/1067138057.db2.gz JJVUJUMRTZXVHE-QGZVFWFLSA-N 0 3 458.400 4.566 20 0 JJADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC001451570679 1067178305 /nfs/dbraw/zinc/17/83/05/1067178305.db2.gz SBLVAELCJPPVEU-UHFFFAOYSA-N 0 3 454.492 4.528 20 0 JJADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001545848853 1067201576 /nfs/dbraw/zinc/20/15/76/1067201576.db2.gz GZSBIKDBOGMMMK-ZFGGDYGUSA-N 0 3 466.674 4.658 20 0 JJADHN CC(C)N(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001452138253 1067208865 /nfs/dbraw/zinc/20/88/65/1067208865.db2.gz QZAXZIKAGWMQGU-FGTQWKHKSA-N 0 3 455.643 4.701 20 0 JJADHN Cc1cc(OCc2ccccc2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)s1 ZINC001458976944 1067215269 /nfs/dbraw/zinc/21/52/69/1067215269.db2.gz XGFVPQYMKOROJG-QHCPKHFHSA-N 0 3 450.604 4.656 20 0 JJADHN Cc1c2cc(Br)cc(C)c2oc1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001452973065 1067269586 /nfs/dbraw/zinc/26/95/86/1067269586.db2.gz JYFHBUQJJLBUEG-UHFFFAOYSA-N 0 3 456.384 4.849 20 0 JJADHN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]2CC1 ZINC001453118610 1067280338 /nfs/dbraw/zinc/28/03/38/1067280338.db2.gz BXLBVHRNJPEWFP-CUFBHMEESA-N 0 3 457.703 4.600 20 0 JJADHN CC[C@]1(C)CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(CC(C)C)CC2)O1 ZINC001546047847 1067281291 /nfs/dbraw/zinc/28/12/91/1067281291.db2.gz FDJOTFQMDPZKTA-CJFMBICVSA-N 0 3 476.065 4.733 20 0 JJADHN CC(C)(C)CCN1CCN(CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1 ZINC001459348951 1067300487 /nfs/dbraw/zinc/30/04/87/1067300487.db2.gz RZTJLPSBSLRKDU-UHFFFAOYSA-N 0 3 454.684 4.609 20 0 JJADHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)C1 ZINC001459581689 1067356359 /nfs/dbraw/zinc/35/63/59/1067356359.db2.gz UMPIXCHLFRLSPB-KRWDZBQOSA-N 0 3 454.924 4.728 20 0 JJADHN COc1ccccc1-c1ccc([C@@H](C)N(C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC001459580588 1067356651 /nfs/dbraw/zinc/35/66/51/1067356651.db2.gz AERSMYUSUYEBFT-LJQANCHMSA-N 0 3 450.604 4.996 20 0 JJADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC001459668494 1067377860 /nfs/dbraw/zinc/37/78/60/1067377860.db2.gz HIEAUNUXGBUZQT-SSPYTLHUSA-N 0 3 454.611 4.558 20 0 JJADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC001459686306 1067383460 /nfs/dbraw/zinc/38/34/60/1067383460.db2.gz NJXPOHIPFDFFQH-FGZHOGPDSA-N 0 3 456.583 4.734 20 0 JJADHN Cc1cc(NC(=O)CNC2(c3ccc(Cl)cc3)CCCCC2)n(-c2nc(C)cc(C)n2)n1 ZINC001459713835 1067392956 /nfs/dbraw/zinc/39/29/56/1067392956.db2.gz LTWGZJRZJOYVHZ-UHFFFAOYSA-N 0 3 452.990 4.629 20 0 JJADHN CCC(CC)(CC(=O)OC)NCC(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC001459718147 1067394787 /nfs/dbraw/zinc/39/47/87/1067394787.db2.gz RCGIQPZXUKYEEA-UHFFFAOYSA-N 0 3 453.608 4.849 20 0 JJADHN C[C@@H]1CCc2c(sc3nc(CCN(C)Cc4cccc(OC(F)(F)F)c4)nc(N)c23)C1 ZINC001459755196 1067408480 /nfs/dbraw/zinc/40/84/80/1067408480.db2.gz JGPCXKRDRGVFKI-CYBMUJFWSA-N 0 3 450.530 4.971 20 0 JJADHN CCCCc1ccc([C@@H](NCC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C(C)C)cc1 ZINC001459783666 1067420535 /nfs/dbraw/zinc/42/05/35/1067420535.db2.gz FALKWBSLEGBOTM-CUNXSJBXSA-N 0 3 455.687 4.813 20 0 JJADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC001459811000 1067433313 /nfs/dbraw/zinc/43/33/13/1067433313.db2.gz UFHFXAJYACARCO-REWPJTCUSA-N 0 3 454.014 4.759 20 0 JJADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001459830930 1067443791 /nfs/dbraw/zinc/44/37/91/1067443791.db2.gz NEVKMJCNJKRYIJ-DEOSSOPVSA-N 0 3 453.602 4.622 20 0 JJADHN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC001459849754 1067455171 /nfs/dbraw/zinc/45/51/71/1067455171.db2.gz YLWYEZBXMXFSOX-IBGZPJMESA-N 0 3 454.567 4.522 20 0 JJADHN Cc1ccc(CCC2CCN(C(=O)CN[C@@H](c3ccc4c(c3)OCCO4)C(C)C)CC2)cc1 ZINC001459866764 1067464163 /nfs/dbraw/zinc/46/41/63/1067464163.db2.gz RQDWSEBXCQAZDC-MUUNZHRXSA-N 0 3 450.623 4.924 20 0 JJADHN CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC001459866918 1067464194 /nfs/dbraw/zinc/46/41/94/1067464194.db2.gz TZPABESAXUWSKD-SANMLTNESA-N 0 3 459.546 4.636 20 0 JJADHN O=C(CN[C@H](Cc1ccccc1Cl)c1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC001459883650 1067472286 /nfs/dbraw/zinc/47/22/86/1067472286.db2.gz ZJYCFDRJXATPTJ-AREMUKBSSA-N 0 3 458.993 4.758 20 0 JJADHN CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459898431 1067478641 /nfs/dbraw/zinc/47/86/41/1067478641.db2.gz DIAVNFPXMUOBJF-NRFANRHFSA-N 0 3 455.400 4.519 20 0 JJADHN C[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001459915316 1067488308 /nfs/dbraw/zinc/48/83/08/1067488308.db2.gz RTMYJTYWQCBVEE-ZDUSSCGKSA-N 0 3 453.951 4.584 20 0 JJADHN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN[C@@H](CC)[C@@H]1CCCO1 ZINC001459925244 1067494413 /nfs/dbraw/zinc/49/44/13/1067494413.db2.gz REEKDLYWNOYFAZ-ROUUACIJSA-N 0 3 450.988 4.731 20 0 JJADHN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN[C@@H](CC)[C@H]1CCCO1 ZINC001459927002 1067494825 /nfs/dbraw/zinc/49/48/25/1067494825.db2.gz WUJRRVJMGPVCAQ-FUHWJXTLSA-N 0 3 450.988 4.731 20 0 JJADHN COc1cc(Br)ccc1CCCN[C@H](CCO)c1ccccc1Br ZINC001459935773 1067498430 /nfs/dbraw/zinc/49/84/30/1067498430.db2.gz SFICFZMGGMAEMQ-GOSISDBHSA-N 0 3 457.206 4.866 20 0 JJADHN CCCN(CCN1CCCC1)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC001459941078 1067500602 /nfs/dbraw/zinc/50/06/02/1067500602.db2.gz BMXOIMOWQLPHBY-UHFFFAOYSA-N 0 3 458.400 4.649 20 0 JJADHN CC(C)N1C(=O)C[C@@H](NC[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001459947646 1067502681 /nfs/dbraw/zinc/50/26/81/1067502681.db2.gz BDILCLLUZKMKIM-SBHAEUEKSA-N 0 3 458.883 4.872 20 0 JJADHN Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](Cn3cnc4ccccc43)C2)ccc1Br ZINC001459958662 1067507662 /nfs/dbraw/zinc/50/76/62/1067507662.db2.gz GWPSVIPISRTHDG-ROUUACIJSA-N 0 3 455.400 4.846 20 0 JJADHN CC(C)(C)N1CC[C@](F)(C(=O)N(Cc2ncc[nH]2)c2ccc(Br)c(Cl)c2)C1 ZINC001459970366 1067510730 /nfs/dbraw/zinc/51/07/30/1067510730.db2.gz BIKLTGWIEDWDMO-LJQANCHMSA-N 0 3 457.775 4.571 20 0 JJADHN CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1Cc1ccc(-c2ccsc2)cc1 ZINC001459999390 1067521122 /nfs/dbraw/zinc/52/11/22/1067521122.db2.gz ZAAGPKNVDPNIPE-JOCHJYFZSA-N 0 3 457.640 4.801 20 0 JJADHN COc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)c(Br)c1OC ZINC001460033241 1067534999 /nfs/dbraw/zinc/53/49/99/1067534999.db2.gz XISDYIJXFNVNCT-INIZCTEOSA-N 0 3 457.409 4.639 20 0 JJADHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC001460039522 1067536574 /nfs/dbraw/zinc/53/65/74/1067536574.db2.gz LKZBYZCQXZOWOY-MNAPGUCWSA-N 0 3 455.624 4.591 20 0 JJADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063171 1067542912 /nfs/dbraw/zinc/54/29/12/1067542912.db2.gz SGHWDYRFGBENJU-FHAGJXEFSA-N 0 3 451.611 4.840 20 0 JJADHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC001460063173 1067542922 /nfs/dbraw/zinc/54/29/22/1067542922.db2.gz SGHWDYRFGBENJU-OHUGHZGNSA-N 0 3 451.611 4.840 20 0 JJADHN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC001460114410 1067558291 /nfs/dbraw/zinc/55/82/91/1067558291.db2.gz ZKCYAUIXYHXOEW-QFIPXVFZSA-N 0 3 454.958 4.628 20 0 JJADHN O=C1[C@H](N2CC[C@H](Cc3ccc(Br)cc3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC001460137612 1067562840 /nfs/dbraw/zinc/56/28/40/1067562840.db2.gz HISSHWMGDKCUMY-FOIQADDNSA-N 0 3 451.767 4.912 20 0 JJADHN O[C@H](COc1cc(F)cc(Br)c1)CN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001460150584 1067565641 /nfs/dbraw/zinc/56/56/41/1067565641.db2.gz INIWUZWJPIEPPG-URXFXBBRSA-N 0 3 456.355 4.976 20 0 JJADHN COC(=O)c1cccc(CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl ZINC001460160615 1067567552 /nfs/dbraw/zinc/56/75/52/1067567552.db2.gz HSTICBCBQZOXAJ-NFBKMPQASA-N 0 3 455.913 4.807 20 0 JJADHN COc1cc(NC(=O)CCN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(OC)cc1Cl ZINC001460189338 1067574996 /nfs/dbraw/zinc/57/49/96/1067574996.db2.gz XZKPDQOSZSWWSQ-LOSJGSFVSA-N 0 3 454.954 4.750 20 0 JJADHN CN1CC[C@H](NCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC001460192553 1067575597 /nfs/dbraw/zinc/57/55/97/1067575597.db2.gz NJERACJHWBQPMI-QNWVGRARSA-N 0 3 450.385 4.831 20 0 JJADHN C[C@@](O)(CN1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(Br)cc1F ZINC001460197586 1067576890 /nfs/dbraw/zinc/57/68/90/1067576890.db2.gz NTJHYRKANCJXHI-OAQYLSRUSA-N 0 3 451.311 4.956 20 0 JJADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@@H](C)Oc3ccc(C(C)C)c(C)c3)CC2)cc1 ZINC001460210280 1067580052 /nfs/dbraw/zinc/58/00/52/1067580052.db2.gz AGOIOSKEPMLDRH-HXUWFJFHSA-N 0 3 451.611 4.625 20 0 JJADHN C[C@H](N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccc(Cl)cc1 ZINC001460222039 1067583018 /nfs/dbraw/zinc/58/30/18/1067583018.db2.gz PPHJCDRXBIKYMW-RRWZXMNXSA-N 0 3 466.000 4.742 20 0 JJADHN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc1 ZINC001460224367 1067583563 /nfs/dbraw/zinc/58/35/63/1067583563.db2.gz AJESOZFZINWATK-CCDWMCETSA-N 0 3 463.622 4.945 20 0 JJADHN COC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC001460273048 1067595254 /nfs/dbraw/zinc/59/52/54/1067595254.db2.gz AFQREFRYMWLCSF-YQVWRLOYSA-N 0 3 473.194 4.678 20 0 JJADHN C[C@H]1CCc2c(sc3nc(CCN4CCCC[C@H]4CCC(=O)OC(C)(C)C)nc(N)c32)C1 ZINC001460278982 1067596729 /nfs/dbraw/zinc/59/67/29/1067596729.db2.gz NPCNRKUDFABIER-IRXDYDNUSA-N 0 3 458.672 4.917 20 0 JJADHN O=C(C[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1)NCc1ccc(F)cc1 ZINC001460302270 1067602285 /nfs/dbraw/zinc/60/22/85/1067602285.db2.gz PIRVXPIQWOHYLL-QHCPKHFHSA-N 0 3 459.565 4.997 20 0 JJADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2F)C1 ZINC001460319339 1067606697 /nfs/dbraw/zinc/60/66/97/1067606697.db2.gz VSUPHYVFYDPHCA-HOJAQTOUSA-N 0 3 456.599 4.984 20 0 JJADHN C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccc(Cl)cc21 ZINC001460338406 1067611466 /nfs/dbraw/zinc/61/14/66/1067611466.db2.gz MJGBWKGMXFFUNG-DKLXNKCPSA-N 0 3 459.030 4.799 20 0 JJADHN C[C@@]1(Cc2ccccc2Cl)CCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001460403373 1067627248 /nfs/dbraw/zinc/62/72/48/1067627248.db2.gz DJBVGVXPVUHRJM-VWLOTQADSA-N 0 3 458.071 4.925 20 0 JJADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CNC1(c2ccc(Br)cc2)CCCCC1 ZINC001460406273 1067628791 /nfs/dbraw/zinc/62/87/91/1067628791.db2.gz CVRNCXKWHSQWOB-NQIIRXRSSA-N 0 3 451.449 4.910 20 0 JJADHN CC(C)[C@@H]1CN([C@H]2CCc3cc(Br)ccc3NC2=O)CCN1Cc1ccccc1 ZINC001460428474 1067633219 /nfs/dbraw/zinc/63/32/19/1067633219.db2.gz GXSWQJKCNABOQR-GOTSBHOMSA-N 0 3 456.428 4.545 20 0 JJADHN CCC1(CC)CN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCS1 ZINC001546116452 1067639508 /nfs/dbraw/zinc/63/95/08/1067639508.db2.gz VODVVSZVUKRHCN-HSZRJFAPSA-N 0 3 480.682 4.764 20 0 JJADHN COc1ccc(N=c2scc(CN3CC[C@H](C)[C@@H](CO)C3)n2[C@H](C)c2ccccc2)cc1 ZINC001460501923 1067645693 /nfs/dbraw/zinc/64/56/93/1067645693.db2.gz FCOXTJAQTFUPRP-TUNNFDKTSA-N 0 3 451.636 4.850 20 0 JJADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3ccc(Cl)c(Br)c3)C2)ccn1 ZINC001460512668 1067647222 /nfs/dbraw/zinc/64/72/22/1067647222.db2.gz VOJIZTAJIHLXBH-IBGZPJMESA-N 0 3 452.824 4.991 20 0 JJADHN CC(C)(NCCOc1c(Br)cccc1Br)C(=O)Nc1ccccc1 ZINC001460534399 1067652705 /nfs/dbraw/zinc/65/27/05/1067652705.db2.gz KFZIUWWHTKGAJN-UHFFFAOYSA-N 0 3 456.178 4.597 20 0 JJADHN CCOC(=O)C1C(CN[C@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600655 1067667087 /nfs/dbraw/zinc/66/70/87/1067667087.db2.gz FUWYTBJGFLCVKY-ZJSXRUAMSA-N 0 3 459.949 4.565 20 0 JJADHN CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC001460636944 1067681036 /nfs/dbraw/zinc/68/10/36/1067681036.db2.gz LBBIHSRPJSXJRZ-WMZHIEFXSA-N 0 3 459.556 4.916 20 0 JJADHN Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(Cc3cccc(SC(F)(F)F)c3)C2)cn1 ZINC001460654876 1067689419 /nfs/dbraw/zinc/68/94/19/1067689419.db2.gz GYKMFBWMVDVSQL-SJORKVTESA-N 0 3 455.546 4.979 20 0 JJADHN Cc1cc(C(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c(C(F)(F)F)o1 ZINC001460710058 1067706216 /nfs/dbraw/zinc/70/62/16/1067706216.db2.gz QXWUHUBPURGZSO-UHFFFAOYSA-N 0 3 455.908 4.687 20 0 JJADHN CC[C@H](Oc1ccccc1C)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001460710754 1067706401 /nfs/dbraw/zinc/70/64/01/1067706401.db2.gz SMMDZUOOACRSLY-DEOSSOPVSA-N 0 3 456.030 4.619 20 0 JJADHN Cc1ccccc1CN1CCCN(C(=O)CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001460750282 1067715438 /nfs/dbraw/zinc/71/54/38/1067715438.db2.gz WJVWAUZCAZGDPM-KRWDZBQOSA-N 0 3 452.401 4.826 20 0 JJADHN COc1ccc(COCCC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460761089 1067718540 /nfs/dbraw/zinc/71/85/40/1067718540.db2.gz HGQLNZJCKWWBII-RRPNLBNLSA-N 0 3 462.565 4.525 20 0 JJADHN CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001460763800 1067719452 /nfs/dbraw/zinc/71/94/52/1067719452.db2.gz LYFLQIODTNOSBN-LOSJGSFVSA-N 0 3 461.537 4.792 20 0 JJADHN CC(C)(C)OC(=O)N1CCC2(CC1)CN(C[C@H](O)c1cccc(F)c1)Cc1ccccc1O2 ZINC001460844092 1067733635 /nfs/dbraw/zinc/73/36/35/1067733635.db2.gz PJDQMCAOCCKIKJ-QFIPXVFZSA-N 0 3 456.558 4.523 20 0 JJADHN CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)CC1 ZINC001460882392 1067741662 /nfs/dbraw/zinc/74/16/62/1067741662.db2.gz NRCHCAMPLRGAHG-FQEVSTJZSA-N 0 3 456.631 4.881 20 0 JJADHN O=C(CN1CCCC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920735 1067748352 /nfs/dbraw/zinc/74/83/52/1067748352.db2.gz DPNORINQFDCSNS-RBUKOAKNSA-N 0 3 455.986 4.669 20 0 JJADHN O=C(CN1CCCC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC001460920734 1067748528 /nfs/dbraw/zinc/74/85/28/1067748528.db2.gz DPNORINQFDCSNS-OALUTQOASA-N 0 3 455.986 4.669 20 0 JJADHN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001460995499 1067759750 /nfs/dbraw/zinc/75/97/50/1067759750.db2.gz QFOOGCCTYHBRHE-DEOSSOPVSA-N 0 3 456.993 4.504 20 0 JJADHN CC(C)(C)OC(=O)NCCc1ccc(CNCc2ccc(NC(=O)OC(C)(C)C)nc2)cc1 ZINC001461127800 1067786630 /nfs/dbraw/zinc/78/66/30/1067786630.db2.gz FCBKWWOOINYTBX-UHFFFAOYSA-N 0 3 456.587 4.786 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@@H](O)c3ccc4ccccc4c3)o2)C1 ZINC001461148666 1067789594 /nfs/dbraw/zinc/78/95/94/1067789594.db2.gz WYQQKQAEYRYBIN-LADGPHEKSA-N 0 3 450.579 4.814 20 0 JJADHN CCN(Cc1ccccc1)C(=O)CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001461161066 1067791302 /nfs/dbraw/zinc/79/13/02/1067791302.db2.gz HZTLXIWXHLOEKS-OAHLLOKOSA-N 0 3 455.908 4.714 20 0 JJADHN COc1cc(CNCCC(=O)N(C)Cc2ccccc2Br)cc(C(F)(F)F)c1 ZINC001461196706 1067797612 /nfs/dbraw/zinc/79/76/12/1067797612.db2.gz ROHKIDXQYZAYTH-UHFFFAOYSA-N 0 3 459.306 4.615 20 0 JJADHN CC(C)(C)OC(=O)[C@H]1CCCN(c2ccc(CNC[C@H](O)c3ccc(C(C)(C)C)cc3)o2)C1 ZINC001461204585 1067799038 /nfs/dbraw/zinc/79/90/38/1067799038.db2.gz HQSLLXDTGGXLGO-REWPJTCUSA-N 0 3 456.627 4.958 20 0 JJADHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001461223366 1067803106 /nfs/dbraw/zinc/80/31/06/1067803106.db2.gz ANRVIPKYIPNHAZ-WMZOPIPTSA-N 0 3 455.407 4.691 20 0 JJADHN CCc1cc(N2CCC(NCc3c(Cl)n(-c4ccccc4)nc3C(C)(C)C)CC2)ncn1 ZINC001461277300 1067816571 /nfs/dbraw/zinc/81/65/71/1067816571.db2.gz VGLQFBNUWQRWBN-UHFFFAOYSA-N 0 3 453.034 4.934 20 0 JJADHN Cc1cc(CN2CCSCC2)ccc1NCc1ccc(F)cc1I ZINC001461300960 1067822745 /nfs/dbraw/zinc/82/27/45/1067822745.db2.gz OHRBNJKBEZSTHX-UHFFFAOYSA-N 0 3 456.368 4.900 20 0 JJADHN COc1ccc(OC(F)F)c(CN[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 ZINC001461307730 1067824330 /nfs/dbraw/zinc/82/43/30/1067824330.db2.gz LTOXALKSPINLEN-ZDUSSCGKSA-N 0 3 451.823 4.732 20 0 JJADHN Cc1cc(CN[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)cc(C)c1OCc1ccccn1 ZINC001461357339 1067837348 /nfs/dbraw/zinc/83/73/48/1067837348.db2.gz IDTWCAXLSZHTKA-FQEVSTJZSA-N 0 3 453.945 4.965 20 0 JJADHN CCCN(CCNCc1cn(-c2ccccc2Br)nc1C)C(=O)OC(C)(C)C ZINC001461411522 1067848991 /nfs/dbraw/zinc/84/89/91/1067848991.db2.gz YMVJOVUFPUODEZ-UHFFFAOYSA-N 0 3 451.409 4.680 20 0 JJADHN Cc1nn(C(C)(C)C)c2nc(Cl)c(CNC[C@@H]3CSCCN3Cc3ccccc3)cc12 ZINC001461432368 1067855085 /nfs/dbraw/zinc/85/50/85/1067855085.db2.gz HIXSTQOOAUJYJX-HXUWFJFHSA-N 0 3 458.075 4.855 20 0 JJADHN COc1ccc(Cn2cc(CN[C@H](Cc3cccc(Br)c3)CC3CC3)nn2)cc1 ZINC001461435675 1067855819 /nfs/dbraw/zinc/85/58/19/1067855819.db2.gz BQDYXJXQURBJRP-NRFANRHFSA-N 0 3 455.400 4.599 20 0 JJADHN Cc1ccccc1-c1ccccc1CNCC(=O)Nc1ccc(I)cc1 ZINC001461499962 1067876744 /nfs/dbraw/zinc/87/67/44/1067876744.db2.gz DUIXHNPWZTZBKG-UHFFFAOYSA-N 0 3 456.327 4.995 20 0 JJADHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNc1cc(N(C)C)c(Br)cn1 ZINC001461516756 1067880143 /nfs/dbraw/zinc/88/01/43/1067880143.db2.gz RVLCYXYGKYGTOD-UHFFFAOYSA-N 0 3 452.759 4.868 20 0 JJADHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001461532227 1067882725 /nfs/dbraw/zinc/88/27/25/1067882725.db2.gz XSTWNBZWTOWIRY-QGZVFWFLSA-N 0 3 453.384 4.662 20 0 JJADHN C[C@H](c1ccccc1F)N1CCC[C@@H](NCc2ccnc3c(Br)cccc23)C1=O ZINC001461533147 1067883431 /nfs/dbraw/zinc/88/34/31/1067883431.db2.gz ODDIRJVHLPCFFV-QVKFZJNVSA-N 0 3 456.359 4.978 20 0 JJADHN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC1CCN(CC(F)(F)F)CC1 ZINC001461555856 1067887473 /nfs/dbraw/zinc/88/74/73/1067887473.db2.gz UIIXMSVOBLIKLE-UHFFFAOYSA-N 0 3 454.846 4.969 20 0 JJADHN Brc1cnc(NCc2cnc(CCc3ccccc3)s2)cc1N1CCOCC1 ZINC001461577528 1067892750 /nfs/dbraw/zinc/89/27/50/1067892750.db2.gz DMHYIYSYLFSIJH-UHFFFAOYSA-N 0 3 459.413 4.535 20 0 JJADHN CC(C)C[C@H](NCc1ccc(-c2ccccc2Br)s1)C(=O)N1CCOCC1 ZINC001461593176 1067896233 /nfs/dbraw/zinc/89/62/33/1067896233.db2.gz ANVNNAZQCYSSJM-IBGZPJMESA-N 0 3 451.430 4.541 20 0 JJADHN CC[C@H](NCc1cc(I)c(Br)cc1F)[C@H]1CCCCO1 ZINC001461607621 1067900841 /nfs/dbraw/zinc/90/08/41/1067900841.db2.gz LWFXJEFIWYHCNY-LSDHHAIUSA-N 0 3 456.137 4.630 20 0 JJADHN CN(CCCNCc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl)S(C)(=O)=O ZINC001461625879 1067904521 /nfs/dbraw/zinc/90/45/21/1067904521.db2.gz BLTOBLGTKUHWSH-UHFFFAOYSA-N 0 3 451.803 4.810 20 0 JJADHN CN(C)C[C@@H](NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001461674279 1067915455 /nfs/dbraw/zinc/91/54/55/1067915455.db2.gz DNYJDBAPJMUOKA-JKSUJKDBSA-N 0 3 457.459 4.743 20 0 JJADHN COc1cc(CNC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)ccc1OCc1cccs1 ZINC001461696077 1067920404 /nfs/dbraw/zinc/92/04/04/1067920404.db2.gz UAPMCAKCDPJUGX-HSZRJFAPSA-N 0 3 452.620 4.635 20 0 JJADHN COc1cc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1OCC(F)(F)F ZINC001461758624 1067931906 /nfs/dbraw/zinc/93/19/06/1067931906.db2.gz YWLNVCQOEQUXMH-QZTJIDSGSA-N 0 3 462.434 4.789 20 0 JJADHN COc1ccc(C(=O)Nc2cccc(CN[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)c2)cc1 ZINC001461815983 1067941347 /nfs/dbraw/zinc/94/13/47/1067941347.db2.gz IFNVLZKJUNYPSP-PUHATCMVSA-N 0 3 451.567 4.578 20 0 JJADHN CN(Cc1ccnc2c(Br)cccc12)[C@@H](CO)c1cccc(Br)c1 ZINC001461874275 1067952494 /nfs/dbraw/zinc/95/24/94/1067952494.db2.gz QGPRXHAMSUWKMN-SFHVURJKSA-N 0 3 450.174 4.925 20 0 JJADHN COCCCOC1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC001461895881 1067956631 /nfs/dbraw/zinc/95/66/31/1067956631.db2.gz FHJRRZGVFHEBQY-UHFFFAOYSA-N 0 3 450.421 4.776 20 0 JJADHN C[C@@H](c1ccc2ccccc2c1)N(Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC001461907576 1067959271 /nfs/dbraw/zinc/95/92/71/1067959271.db2.gz OYVCRHCLVYXCEI-HNNXBMFYSA-N 0 3 459.409 4.975 20 0 JJADHN COC(=O)c1ccc(COc2ccccc2CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC001461925326 1067962226 /nfs/dbraw/zinc/96/22/26/1067962226.db2.gz FCTGUPICNOSHKI-UHFFFAOYSA-N 0 3 458.558 4.903 20 0 JJADHN COC(=O)c1ccc(COc2ccccc2CNCC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC001461991360 1067976572 /nfs/dbraw/zinc/97/65/72/1067976572.db2.gz QSPLMFJEEUARAD-UHFFFAOYSA-N 0 3 454.567 4.589 20 0 JJADHN C[C@@H]1CCC[C@@H](N(Cc2cc(C(=O)OC(C)(C)C)nn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001462033316 1067984889 /nfs/dbraw/zinc/98/48/89/1067984889.db2.gz MEVCQDZGHRXABV-JBYIUTFZSA-N 0 3 455.599 4.931 20 0 JJADHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](CC(N)=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC001462064669 1067994567 /nfs/dbraw/zinc/99/45/67/1067994567.db2.gz QUCAOZPQCALUSP-COPCDDAFSA-N 0 3 458.002 4.987 20 0 JJADHN COC(=O)c1ccccc1-c1ccc(CNCCC(=O)Nc2ccc(Br)cc2)o1 ZINC001462076339 1067996904 /nfs/dbraw/zinc/99/69/04/1067996904.db2.gz RWMSGSVKINYMMS-UHFFFAOYSA-N 0 3 457.324 4.614 20 0 JJADHN C[C@H](COc1ccc2cc(Br)ccc2c1)NCc1ccc(S(C)(=O)=O)s1 ZINC001462090701 1068000193 /nfs/dbraw/zinc/00/01/93/1068000193.db2.gz LXCXLCFFXWLFHA-CYBMUJFWSA-N 0 3 454.411 4.624 20 0 JJADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cccc(OC(C)(C)C)n2)cc1 ZINC001462109080 1068005744 /nfs/dbraw/zinc/00/57/44/1068005744.db2.gz NYRSTAFBAYWHEL-UKILVPOCSA-N 0 3 459.590 4.666 20 0 JJADHN CCc1nc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)nn1-c1ccccc1Cl ZINC001462109813 1068005981 /nfs/dbraw/zinc/00/59/81/1068005981.db2.gz BZXFZVHDXPEPEG-FQEVSTJZSA-N 0 3 452.002 4.658 20 0 JJADHN COCCc1ccc(OC[C@H](C)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC001462189733 1068025799 /nfs/dbraw/zinc/02/57/99/1068025799.db2.gz PWENTTPYMLZCKU-HRAATJIYSA-N 0 3 451.394 4.735 20 0 JJADHN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC001462198285 1068027437 /nfs/dbraw/zinc/02/74/37/1068027437.db2.gz LAPCSZFQYKECPE-IBGZPJMESA-N 0 3 454.949 4.683 20 0 JJADHN CCOC(=O)c1ccn(-c2cccc(CNCc3cc4cc(Br)ccc4o3)c2)n1 ZINC001462206564 1068028855 /nfs/dbraw/zinc/02/88/55/1068028855.db2.gz UJRBXVNMLMHPBM-UHFFFAOYSA-N 0 3 454.324 4.848 20 0 JJADHN COc1ccc(CN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)C2CCCCC2)cc1OC ZINC001462212001 1068029747 /nfs/dbraw/zinc/02/97/47/1068029747.db2.gz YYUJXLCJAPRKJK-UHFFFAOYSA-N 0 3 457.615 4.804 20 0 JJADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3ccc(Sc4ccccc4)cc3)C2)CC1 ZINC001462225309 1068032619 /nfs/dbraw/zinc/03/26/19/1068032619.db2.gz UBAAXNRMHQBQEC-JOCHJYFZSA-N 0 3 453.652 4.965 20 0 JJADHN CC(C)Sc1cc(Br)ccc1CN1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001462291418 1068044947 /nfs/dbraw/zinc/04/49/47/1068044947.db2.gz CVHFVDHLWJGSTO-CYBMUJFWSA-N 0 3 453.368 4.840 20 0 JJADHN CC(C)Sc1cc(Br)ccc1CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001462291428 1068045044 /nfs/dbraw/zinc/04/50/44/1068045044.db2.gz CVHFVDHLWJGSTO-ZDUSSCGKSA-N 0 3 453.368 4.840 20 0 JJADHN Cc1cc(Cl)ccc1N(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@H]1C ZINC001462297517 1068046425 /nfs/dbraw/zinc/04/64/25/1068046425.db2.gz OROQWAJVMUIWAH-SQJMNOBHSA-N 0 3 456.030 4.761 20 0 JJADHN COc1ccc(NC(=O)C[C@H](C)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)c(OC)c1 ZINC001462398360 1068065484 /nfs/dbraw/zinc/06/54/84/1068065484.db2.gz AMOAKTSIHLGOAO-BUKVSMQUSA-N 0 3 454.567 4.581 20 0 JJADHN CN(C)Cc1ccc(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)cc1C(F)(F)F ZINC001462727121 1068144677 /nfs/dbraw/zinc/14/46/77/1068144677.db2.gz DKDQAPHAYGDDAX-UHFFFAOYSA-N 0 3 458.506 4.501 20 0 JJADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCCCCc2ccccc2)cc1 ZINC001462767930 1068160611 /nfs/dbraw/zinc/16/06/11/1068160611.db2.gz UWQVFCTWONBCHA-WUFINQPMSA-N 0 3 462.659 4.905 20 0 JJADHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1 ZINC001462898558 1068208323 /nfs/dbraw/zinc/20/83/23/1068208323.db2.gz YAUHHRLATVYQHV-UHFFFAOYSA-N 0 3 450.604 4.553 20 0 JJADHN C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1cc(Cl)cc2c1OCC2 ZINC001463003844 1068246359 /nfs/dbraw/zinc/24/63/59/1068246359.db2.gz VRSVOLLEQRQZCG-QRQCRPRQSA-N 0 3 452.904 4.907 20 0 JJADHN Cc1ccc(CN(C)S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)s1 ZINC001463009273 1068249340 /nfs/dbraw/zinc/24/93/40/1068249340.db2.gz ZGDMDKHDSQOLGR-BJKOFHAPSA-N 0 3 458.624 4.625 20 0 JJADHN O=S(=O)([N-]C[C@H]1CCC[N@@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031643 1068257535 /nfs/dbraw/zinc/25/75/35/1068257535.db2.gz BLRNJXRJQSRYNS-LJQANCHMSA-N 0 3 454.061 4.787 20 0 JJADHN O=S(=O)([N-]C[C@H]1CCC[N@H+]1CC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC001463031643 1068257549 /nfs/dbraw/zinc/25/75/49/1068257549.db2.gz BLRNJXRJQSRYNS-LJQANCHMSA-N 0 3 454.061 4.787 20 0 JJADHN C[C@@]1(NC(=O)c2scnc2Br)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001463145815 1068302314 /nfs/dbraw/zinc/30/23/14/1068302314.db2.gz DYJMMTBNQBZFLB-PGRDOPGGSA-N 0 3 456.409 4.694 20 0 JJADHN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1C(F)(F)F ZINC001463224569 1068326467 /nfs/dbraw/zinc/32/64/67/1068326467.db2.gz JPWDDHJNJQJUPV-QFIPXVFZSA-N 0 3 452.542 4.691 20 0 JJADHN CC(C)(C)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC001463277051 1068341810 /nfs/dbraw/zinc/34/18/10/1068341810.db2.gz DKGQKMMJAWPFMH-UPVQGACJSA-N 0 3 454.636 4.591 20 0 JJADHN CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC001463366531 1068373957 /nfs/dbraw/zinc/37/39/57/1068373957.db2.gz SEKHITYDYFAZPY-RUZDIDTESA-N 0 3 456.030 4.811 20 0 JJADHN COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)cc2Cl)N2CCCC2)c1 ZINC001463554246 1068439412 /nfs/dbraw/zinc/43/94/12/1068439412.db2.gz BTTWNHRDRNYCCC-HXUWFJFHSA-N 0 3 451.792 4.607 20 0 JJADHN COc1ccc([C@H](CNC(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)N2CCCC2)cc1 ZINC001463562918 1068444924 /nfs/dbraw/zinc/44/49/24/1068444924.db2.gz IOFWTHAGJWFCLE-AOHZBQACSA-N 0 3 457.412 4.689 20 0 JJADHN CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC001463577289 1068453204 /nfs/dbraw/zinc/45/32/04/1068453204.db2.gz VNECGCJEVQDOPZ-IHPCNDPISA-N 0 3 451.677 4.967 20 0 JJADHN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001463760685 1068516054 /nfs/dbraw/zinc/51/60/54/1068516054.db2.gz FYKWSTLKFXEINE-QFIPXVFZSA-N 0 3 453.384 4.510 20 0 JJADHN CCc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)N(C)C)cc1 ZINC001463768026 1068518052 /nfs/dbraw/zinc/51/80/52/1068518052.db2.gz ZNINHUZGNNFKBB-LJQANCHMSA-N 0 3 453.808 4.853 20 0 JJADHN CN(C)[C@H](CNC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21)Cc1ccccc1 ZINC001463771104 1068519318 /nfs/dbraw/zinc/51/93/18/1068519318.db2.gz UOSOITKRXASZQU-YADHBBJMSA-N 0 3 451.611 4.595 20 0 JJADHN CN(C)[C@@H](CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)Cc1ccccc1 ZINC001463770379 1068519352 /nfs/dbraw/zinc/51/93/52/1068519352.db2.gz MMDJDWKUZKSSSL-DHIUTWEWSA-N 0 3 453.627 4.568 20 0 JJADHN CCOc1ccc([C@@H](CNC(=O)CN(C)CC(C)(C)C)c2c[nH]c3ccccc32)cc1OC ZINC001463811566 1068533592 /nfs/dbraw/zinc/53/35/92/1068533592.db2.gz QHHOALROPGSKSB-OAQYLSRUSA-N 0 3 451.611 4.801 20 0 JJADHN CCCN(CCN1CCCCCC1)S(=O)(=O)c1cc(Cl)c(Br)cc1C ZINC001463824666 1068536578 /nfs/dbraw/zinc/53/65/78/1068536578.db2.gz QCJAHFKPQURJMO-UHFFFAOYSA-N 0 3 451.858 4.688 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1Cl)c1cccc(OC)c1 ZINC001463916236 1068565075 /nfs/dbraw/zinc/56/50/75/1068565075.db2.gz MHOZFMCPZFNSBM-FQEVSTJZSA-N 0 3 453.808 4.853 20 0 JJADHN CCN(CC)[C@@H](CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1cccc(OC)c1 ZINC001463920123 1068566076 /nfs/dbraw/zinc/56/60/76/1068566076.db2.gz VOGTYYREWCQTCV-QHCPKHFHSA-N 0 3 455.002 4.964 20 0 JJADHN C[C@H](CN1CCCCC1)NC(=O)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001464075035 1068606424 /nfs/dbraw/zinc/60/64/24/1068606424.db2.gz XZAUTMMWKUNMHY-CQSZACIVSA-N 0 3 452.780 4.894 20 0 JJADHN Cc1c(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1C(C)C ZINC001464122946 1068623072 /nfs/dbraw/zinc/62/30/72/1068623072.db2.gz RPVRNLDFJDIEEW-UHFFFAOYSA-N 0 3 450.549 4.728 20 0 JJADHN CCN(C)[C@@H](C(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1)c1ccccc1 ZINC001464131381 1068627837 /nfs/dbraw/zinc/62/78/37/1068627837.db2.gz BYHKILWHEFWYIX-MUUNZHRXSA-N 0 3 456.634 4.949 20 0 JJADHN CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001464134693 1068629337 /nfs/dbraw/zinc/62/93/37/1068629337.db2.gz YQDWEPKEANFSNY-FQEVSTJZSA-N 0 3 458.444 4.794 20 0 JJADHN CCN(CC)[C@H](CNC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)c1ccsc1 ZINC001464143204 1068633269 /nfs/dbraw/zinc/63/32/69/1068633269.db2.gz VOGZVIKKLWZYID-LJQANCHMSA-N 0 3 450.530 4.825 20 0 JJADHN CC(C)c1ccc(Oc2cc(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)ccn2)cc1 ZINC001464159892 1068637660 /nfs/dbraw/zinc/63/76/60/1068637660.db2.gz NMMRQHNHEPTAEL-UHFFFAOYSA-N 0 3 458.606 4.675 20 0 JJADHN O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)C1C[C@@H](c2ccccc2)OC1=O ZINC001464304698 1068699082 /nfs/dbraw/zinc/69/90/82/1068699082.db2.gz ZLRHSISZGFSJPO-MSOLQXFVSA-N 0 3 457.349 4.739 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399581 1068732438 /nfs/dbraw/zinc/73/24/38/1068732438.db2.gz LFYJOACFXYNWFZ-RBZQAINGSA-N 0 3 455.643 4.754 20 0 JJADHN CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001464399576 1068732675 /nfs/dbraw/zinc/73/26/75/1068732675.db2.gz LFYJOACFXYNWFZ-KMDXXIMOSA-N 0 3 455.643 4.754 20 0 JJADHN CC1CCN([C@@H](CNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)CC1 ZINC001464404668 1068734651 /nfs/dbraw/zinc/73/46/51/1068734651.db2.gz WQEWHYQIVRXPII-MHZLTWQESA-N 0 3 456.586 4.886 20 0 JJADHN CN(Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCC1 ZINC001464436683 1068745222 /nfs/dbraw/zinc/74/52/22/1068745222.db2.gz DCQCAMKRCIGMOV-UHFFFAOYSA-N 0 3 458.521 4.958 20 0 JJADHN COc1ccc(S(=O)(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)c2ccccc12 ZINC001464440843 1068746641 /nfs/dbraw/zinc/74/66/41/1068746641.db2.gz PLSPAFNSCIFSSX-UHFFFAOYSA-N 0 3 452.620 4.962 20 0 JJADHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001464479918 1068761421 /nfs/dbraw/zinc/76/14/21/1068761421.db2.gz ZAWKDRBWRKASPC-UHFFFAOYSA-N 0 3 457.659 4.606 20 0 JJADHN Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)cc2Br)N2CCCC2)cc1 ZINC001464600310 1068795302 /nfs/dbraw/zinc/79/53/02/1068795302.db2.gz YAXFIVMLXFNZQC-OAQYLSRUSA-N 0 3 453.384 4.510 20 0 JJADHN CC(C)N(CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC001464635391 1068806388 /nfs/dbraw/zinc/80/63/88/1068806388.db2.gz HSEPYIQVVNDNQD-UHFFFAOYSA-N 0 3 459.553 4.631 20 0 JJADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001464642551 1068809234 /nfs/dbraw/zinc/80/92/34/1068809234.db2.gz RXUQCSOYWKFKIZ-AZUAARDMSA-N 0 3 471.564 4.679 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)CC2)CC1 ZINC001164617053 719027544 /nfs/dbraw/zinc/02/75/44/719027544.db2.gz JSMIMHVXQQWXSI-UHFFFAOYSA-N 0 3 487.378 4.725 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cccc4ccnc(Cl)c43)CC2)CC1 ZINC001164616331 719028571 /nfs/dbraw/zinc/02/85/71/719028571.db2.gz AUDYHKMNDJVRLL-UHFFFAOYSA-N 0 3 451.945 4.677 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC2)CC1 ZINC001164618686 719033270 /nfs/dbraw/zinc/03/32/70/719033270.db2.gz YMHCQLOCGQPQJL-UHFFFAOYSA-N 0 3 478.971 4.586 20 0 JJADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)CC2)CC1 ZINC001164618068 719036181 /nfs/dbraw/zinc/03/61/81/719036181.db2.gz RROLBQPXNIZYNU-UHFFFAOYSA-N 0 3 492.998 4.894 20 0 JJADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630150 719095189 /nfs/dbraw/zinc/09/51/89/719095189.db2.gz VPVMXYCMZBVLMK-UXHICEINSA-N 0 3 455.940 4.838 20 0 JJADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)c2c1CCNC2 ZINC001164680965 719653283 /nfs/dbraw/zinc/65/32/83/719653283.db2.gz KDQJAJMTVOCYJI-UHFFFAOYSA-N 0 3 451.974 4.744 20 0 JJADHN CSCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCN4Cc2cccnc2)n1)CCCC3 ZINC001164734813 720439434 /nfs/dbraw/zinc/43/94/34/720439434.db2.gz UWDROGNGWYYASM-MOPGFXCFSA-N 0 3 451.665 4.681 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732426 720440626 /nfs/dbraw/zinc/44/06/26/720440626.db2.gz NHMOEJSFVWQWNN-YADHBBJMSA-N 0 3 462.667 4.542 20 0 JJADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCn3cnc(CNC4CCC4)c3C2)n1 ZINC001164844806 720739888 /nfs/dbraw/zinc/73/98/88/720739888.db2.gz UHJWDNDNUXSJRT-UHFFFAOYSA-N 0 3 487.677 4.669 20 0 JJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@H]2C ZINC001164856332 721002618 /nfs/dbraw/zinc/00/26/18/721002618.db2.gz BMBLPFROFXIOQJ-IBGZPJMESA-N 0 3 493.725 4.784 20 0 JJADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856304 721003041 /nfs/dbraw/zinc/00/30/41/721003041.db2.gz AXGLTFHVVWHFBP-IBGZPJMESA-N 0 3 481.714 4.912 20 0 JJADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856334 721003419 /nfs/dbraw/zinc/00/34/19/721003419.db2.gz BMBLPFROFXIOQJ-LJQANCHMSA-N 0 3 493.725 4.784 20 0 JJADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867230 721117975 /nfs/dbraw/zinc/11/79/75/721117975.db2.gz XEMDSIKANXKKJX-PMACEKPBSA-N 0 3 478.021 4.886 20 0 JJADHN Clc1ccc(-c2cc3ncnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3s2)cc1 ZINC001164878437 721142575 /nfs/dbraw/zinc/14/25/75/721142575.db2.gz QCLLJDPUEDWNMH-SFTDATJTSA-N 0 3 478.021 4.886 20 0 JJADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164762138 721153127 /nfs/dbraw/zinc/15/31/27/721153127.db2.gz CCATUTNQZIATPZ-RTWAWAEBSA-N 0 3 489.023 4.651 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)nc5ccc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164773662 721157027 /nfs/dbraw/zinc/15/70/27/721157027.db2.gz YNYYZERBUJXQOM-NHCUHLMSSA-N 0 3 458.997 4.642 20 0 JJADHN COc1ccc2c(c1)nc(N1C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C1)cc2-c1ccccc1 ZINC001164767566 721199629 /nfs/dbraw/zinc/19/96/29/721199629.db2.gz JZUHTFUJIYZFBZ-GOTSBHOMSA-N 0 3 453.590 4.602 20 0 JJADHN Cc1sc2nc(-c3cccs3)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164763372 721200298 /nfs/dbraw/zinc/20/02/98/721200298.db2.gz FQZFWEOZKGBZAY-MOPGFXCFSA-N 0 3 464.664 4.728 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C5CC5)nc5scc(-c6ccccc6)c54)C[C@H]3C2)cn1 ZINC001164763264 721217975 /nfs/dbraw/zinc/21/79/75/721217975.db2.gz FBKLSJTUVXMNJQ-FGZHOGPDSA-N 0 3 470.646 4.928 20 0 JJADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766851 721227316 /nfs/dbraw/zinc/22/73/16/721227316.db2.gz VPEPKSNDDSIHHL-FTJBHMTQSA-N 0 3 456.638 4.883 20 0 JJADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164766859 721228625 /nfs/dbraw/zinc/22/86/25/721228625.db2.gz VPEPKSNDDSIHHL-UIOOFZCWSA-N 0 3 456.638 4.883 20 0 JJADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CCN3C2)c1 ZINC001164911938 721547407 /nfs/dbraw/zinc/54/74/07/721547407.db2.gz XORSCQCUODHQEA-RSXGOPAZSA-N 0 3 475.564 4.665 20 0 JJADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)CCN3C2)c1 ZINC001164906589 721553330 /nfs/dbraw/zinc/55/33/30/721553330.db2.gz KDFXYNJRRHPSJX-PKOBYXMFSA-N 0 3 458.896 4.542 20 0 JJADHN O=C(c1ccccc1)n1ccc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc21 ZINC001164907377 721720539 /nfs/dbraw/zinc/72/05/39/721720539.db2.gz RHRNCBORYKYVOT-HHHXNRCGSA-N 0 3 487.554 4.858 20 0 JJADHN FC1(F)CCN(c2nc(-c3cccnc3)nc3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906900 721723096 /nfs/dbraw/zinc/72/30/96/721723096.db2.gz OXBPFEAFURELRL-SANMLTNESA-N 0 3 472.543 4.825 20 0 JJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H](c4ccncc4)C3)c21 ZINC001165040885 721928488 /nfs/dbraw/zinc/92/84/88/721928488.db2.gz SDFRYVLICFHOFH-OAQYLSRUSA-N 0 3 474.992 4.786 20 0 JJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964152 722057279 /nfs/dbraw/zinc/05/72/79/722057279.db2.gz SDMAUIXLYZFLFH-UHFFFAOYSA-N 0 3 472.967 4.947 20 0 JJADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164959956 722059881 /nfs/dbraw/zinc/05/98/81/722059881.db2.gz AKBHLAGPALWMRE-UHFFFAOYSA-N 0 3 496.659 4.610 20 0 JJADHN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961704 722060101 /nfs/dbraw/zinc/06/01/01/722060101.db2.gz OKEIINMKASXHKO-UHFFFAOYSA-N 0 3 499.993 4.856 20 0 JJADHN c1csc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)c1 ZINC001164979113 722107815 /nfs/dbraw/zinc/10/78/15/722107815.db2.gz HBYAMRQMWIUATM-QUCCMNQESA-N 0 3 463.632 4.542 20 0 JJADHN Clc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1Cl ZINC001164979202 722108188 /nfs/dbraw/zinc/10/81/88/722108188.db2.gz PNNUDXAVSNBRKQ-KGLIPLIRSA-N 0 3 462.208 4.818 20 0 JJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971023 722111399 /nfs/dbraw/zinc/11/13/99/722111399.db2.gz BBZIBHHGUCJEMW-KNQAVFIVSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977430 722111723 /nfs/dbraw/zinc/11/17/23/722111723.db2.gz NBOCDJWJWYICLB-KNQAVFIVSA-N 0 3 458.940 4.555 20 0 JJADHN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976323 722123565 /nfs/dbraw/zinc/12/35/65/722123565.db2.gz LEVIVFSOEHRJBM-LPHOPBHVSA-N 0 3 494.373 4.604 20 0 JJADHN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973195 722123700 /nfs/dbraw/zinc/12/37/00/722123700.db2.gz GWCOSTLKSQNVOC-OXQOHEQNSA-N 0 3 494.373 4.604 20 0 JJADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164980449 722125628 /nfs/dbraw/zinc/12/56/28/722125628.db2.gz REWDLKSZGNYJJL-AMGIVPHBSA-N 0 3 483.591 4.867 20 0 JJADHN Cc1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983322 722141905 /nfs/dbraw/zinc/14/19/05/722141905.db2.gz UCNXKVHZNLULPX-XZOQPEGZSA-N 0 3 471.630 4.789 20 0 JJADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164984941 722147242 /nfs/dbraw/zinc/14/72/42/722147242.db2.gz YLOFOTDLRQEFJS-ILBGXUMGSA-N 0 3 483.641 4.994 20 0 JJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1Cl ZINC001164972151 722152928 /nfs/dbraw/zinc/15/29/28/722152928.db2.gz GAPOIMGERAVSBL-NQIIRXRSSA-N 0 3 488.394 4.712 20 0 JJADHN CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973004 722155669 /nfs/dbraw/zinc/15/56/69/722155669.db2.gz JRXNCSQAYWFLEC-URXFXBBRSA-N 0 3 480.012 4.607 20 0 JJADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1C ZINC001164994014 722208509 /nfs/dbraw/zinc/20/85/09/722208509.db2.gz CPUCTWDZABZLHQ-MHZLTWQESA-N 0 3 495.668 4.524 20 0 JJADHN