smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)N1CCN(CCCO)CC1 ZINC000426478781 231225881 /nfs/dbraw/zinc/22/58/81/231225881.db2.gz MPHUQQDMJREDJS-LJQANCHMSA-N 1 0 388.899 2.534 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503201 529642944 /nfs/dbraw/zinc/64/29/44/529642944.db2.gz AKEAEVODBIHPFJ-MRXNPFEDSA-N 1 0 384.549 2.685 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)C[NH+](C)C)csc3C2)nc1 ZINC000426582719 529644106 /nfs/dbraw/zinc/64/41/06/529644106.db2.gz BSJLGDSSSQKZAB-OAHLLOKOSA-N 1 0 386.565 2.944 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426604236 529644709 /nfs/dbraw/zinc/64/47/09/529644709.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 1 0 398.576 2.945 50 0 GFAARO CNC(=O)[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000426402017 529919510 /nfs/dbraw/zinc/91/95/10/529919510.db2.gz SGWPHHUYVHJGRW-OAQYLSRUSA-N 1 0 394.519 2.685 50 0 GFAARO O=C(C[NH+]1CCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000003470200 204009271 /nfs/dbraw/zinc/00/92/71/204009271.db2.gz MIIJRRRAEOEFOS-UHFFFAOYSA-N 1 0 390.837 2.888 50 0 GFAARO Cn1nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c2ccccc2c1=O ZINC000003547617 204013070 /nfs/dbraw/zinc/01/30/70/204013070.db2.gz PLXYNGONSJCPFT-UHFFFAOYSA-N 1 0 382.508 2.852 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)cc1 ZINC000004890763 204087333 /nfs/dbraw/zinc/08/73/33/204087333.db2.gz DOECSZDLQFTPSZ-GOSISDBHSA-N 1 0 385.851 2.763 50 0 GFAARO COc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@H+](C)C3CCCC3)CC2)cc1 ZINC000005057790 204108320 /nfs/dbraw/zinc/10/83/20/204108320.db2.gz KKSQAOVOCCQGCH-FMIVXFBMSA-N 1 0 399.535 2.690 50 0 GFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CC[NH+](C)C)Cc1ccco1)CO2 ZINC000006819868 204213147 /nfs/dbraw/zinc/21/31/47/204213147.db2.gz QJPMYKCLPJGYPM-UHFFFAOYSA-N 1 0 394.475 2.934 50 0 GFAARO COCC(=O)Nc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000007001764 204229301 /nfs/dbraw/zinc/22/93/01/204229301.db2.gz JZOLSWAGZOGVPX-UHFFFAOYSA-N 1 0 399.447 2.815 50 0 GFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000008751822 204288796 /nfs/dbraw/zinc/28/87/96/204288796.db2.gz FUZFDTLPEBWPSW-IBGZPJMESA-N 1 0 397.544 2.991 50 0 GFAARO COCCNC(=O)c1c(C)n([C@H]2CCC[N@@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704516 204324824 /nfs/dbraw/zinc/32/48/24/204324824.db2.gz CKKIDAPKGZIMNW-ZDUSSCGKSA-N 1 0 376.423 2.632 50 0 GFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1ccc(C)cc1 ZINC000011692786 204351012 /nfs/dbraw/zinc/35/10/12/204351012.db2.gz WGPQGOONDGSEBL-UHFFFAOYSA-N 1 0 390.491 2.888 50 0 GFAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 ZINC000011838251 204355360 /nfs/dbraw/zinc/35/53/60/204355360.db2.gz VKWSOCCGAWDKRF-QGZVFWFLSA-N 1 0 398.507 2.803 50 0 GFAARO CN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011934873 204362107 /nfs/dbraw/zinc/36/21/07/204362107.db2.gz BHACVWDOYIYDCK-OAQYLSRUSA-N 1 0 397.563 2.801 50 0 GFAARO O=C(NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012580683 204426103 /nfs/dbraw/zinc/42/61/03/204426103.db2.gz PEZVYVIHXMXDCV-IBGZPJMESA-N 1 0 375.557 2.796 50 0 GFAARO COc1cccc(C[N@H+](C)C2CCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039371737 205040629 /nfs/dbraw/zinc/04/06/29/205040629.db2.gz SZPPXEZYQUSNOD-FQEVSTJZSA-N 1 0 392.540 2.532 50 0 GFAARO O=C(COc1coc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1=O)NC1CC1 ZINC000036365774 205015374 /nfs/dbraw/zinc/01/53/74/205015374.db2.gz UUELFGVDSLEUFB-UHFFFAOYSA-N 1 0 396.487 2.752 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)CCn1c(C)csc1=O)[NH+]1CCCC1 ZINC000036767593 205021868 /nfs/dbraw/zinc/02/18/68/205021868.db2.gz XDLQLBUJOMONIC-KRWDZBQOSA-N 1 0 389.521 2.570 50 0 GFAARO COc1cccc(-c2noc(-c3ccc(N4CC[N@H+](C)[C@H](C)C4)nc3)n2)c1OC ZINC000039413291 205042144 /nfs/dbraw/zinc/04/21/44/205042144.db2.gz WJEXUZBZQMVNLE-CQSZACIVSA-N 1 0 395.463 2.956 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120126 205053565 /nfs/dbraw/zinc/05/35/65/205053565.db2.gz VJAKJFFLNZNFKV-WBVHZDCISA-N 1 0 397.441 2.654 50 0 GFAARO Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N3CCC[N@@H+](C)CC3)nc1)C2 ZINC000040152045 205058785 /nfs/dbraw/zinc/05/87/85/205058785.db2.gz WFXINNMGJLLQPM-HXUWFJFHSA-N 1 0 396.560 2.865 50 0 GFAARO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccccc1Cl ZINC000040149659 205059017 /nfs/dbraw/zinc/05/90/17/205059017.db2.gz VFGKOAPKFSCUKS-CQSZACIVSA-N 1 0 387.871 2.809 50 0 GFAARO CCc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040391623 205062734 /nfs/dbraw/zinc/06/27/34/205062734.db2.gz LFIJZKOJQLYBCX-UHFFFAOYSA-N 1 0 394.454 2.759 50 0 GFAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1cccc(C)c1 ZINC000040721858 205068407 /nfs/dbraw/zinc/06/84/07/205068407.db2.gz KAFCLLSUFRSJTO-UHFFFAOYSA-N 1 0 399.520 2.988 50 0 GFAARO COc1cc(Br)cc(C[NH2+]CCN2CCOCC2)c1OC(C)C ZINC000040719573 205068800 /nfs/dbraw/zinc/06/88/00/205068800.db2.gz CPMFQSWBXHHUFZ-UHFFFAOYSA-N 1 0 387.318 2.667 50 0 GFAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)cc1 ZINC000040719958 205069485 /nfs/dbraw/zinc/06/94/85/205069485.db2.gz ZVYFWBLRXQOZTN-UHFFFAOYSA-N 1 0 397.519 2.824 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CCCCCC1=O)c1cccc(OC)c1 ZINC000042002057 205079417 /nfs/dbraw/zinc/07/94/17/205079417.db2.gz WTUPKHZXUWRTGJ-IBGZPJMESA-N 1 0 375.513 2.597 50 0 GFAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000043103306 205082457 /nfs/dbraw/zinc/08/24/57/205082457.db2.gz PJXFCYWFAANCCZ-HXUWFJFHSA-N 1 0 384.524 2.897 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000047704844 205111837 /nfs/dbraw/zinc/11/18/37/205111837.db2.gz LKHVXEXCTIGAKH-OAHLLOKOSA-N 1 0 385.430 2.512 50 0 GFAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000048260850 205115816 /nfs/dbraw/zinc/11/58/16/205115816.db2.gz LKBAAIMXSAOQAA-QFIPXVFZSA-N 1 0 382.504 2.593 50 0 GFAARO CCc1ccccc1OCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000048353787 205120571 /nfs/dbraw/zinc/12/05/71/205120571.db2.gz NYNKAXHYICWJIW-UHFFFAOYSA-N 1 0 381.520 2.692 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 ZINC000048356262 205121319 /nfs/dbraw/zinc/12/13/19/205121319.db2.gz MOTBFXWKWCZGSS-IAGOWNOFSA-N 1 0 383.492 2.804 50 0 GFAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000046147542 205104335 /nfs/dbraw/zinc/10/43/35/205104335.db2.gz GDUXBECIWOUMIQ-IRXDYDNUSA-N 1 0 377.554 2.896 50 0 GFAARO O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000052840126 205135708 /nfs/dbraw/zinc/13/57/08/205135708.db2.gz YHNNMVPFLGBTHY-MRXNPFEDSA-N 1 0 398.488 2.518 50 0 GFAARO COc1ccc(NC(=O)CC(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)c(OC)c1 ZINC000055042434 205141737 /nfs/dbraw/zinc/14/17/37/205141737.db2.gz JEBRVRNIJNCIGD-LJQANCHMSA-N 1 0 399.491 2.794 50 0 GFAARO CN(C)C(=O)Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000056554790 205152451 /nfs/dbraw/zinc/15/24/51/205152451.db2.gz WOLCFWHSLHGMDX-IBGZPJMESA-N 1 0 380.492 2.713 50 0 GFAARO COc1ccc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000085877994 205130055 /nfs/dbraw/zinc/13/00/55/205130055.db2.gz DHWIYPVIRPQSNX-ZBFHGGJFSA-N 1 0 378.428 2.583 50 0 GFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000058264645 205172138 /nfs/dbraw/zinc/17/21/38/205172138.db2.gz YHLBBWPBTZREAD-LJQANCHMSA-N 1 0 376.501 2.513 50 0 GFAARO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000058391392 205173996 /nfs/dbraw/zinc/17/39/96/205173996.db2.gz SHQUJGKLNRPCMX-CQSZACIVSA-N 1 0 378.467 2.717 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000064892537 205200721 /nfs/dbraw/zinc/20/07/21/205200721.db2.gz MIDFWJQONJTZGU-HNNXBMFYSA-N 1 0 399.582 2.527 50 0 GFAARO CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)[nH+]1 ZINC000065362331 205230694 /nfs/dbraw/zinc/23/06/94/205230694.db2.gz NPJHFBNARAAJLJ-UHFFFAOYSA-N 1 0 384.484 2.970 50 0 GFAARO Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cs2)n1 ZINC000065525890 205235780 /nfs/dbraw/zinc/23/57/80/205235780.db2.gz YIQRZXJISIJPFR-MNOVXSKESA-N 1 0 385.415 2.623 50 0 GFAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000067291743 205244302 /nfs/dbraw/zinc/24/43/02/205244302.db2.gz OPABXLSYTPOBNY-UHFFFAOYSA-N 1 0 376.457 2.820 50 0 GFAARO O=C(Nc1nccnc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000065228748 205220799 /nfs/dbraw/zinc/22/07/99/205220799.db2.gz MJMHSAYWTAYEQS-UHFFFAOYSA-N 1 0 393.491 2.819 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000067613119 205250756 /nfs/dbraw/zinc/25/07/56/205250756.db2.gz OUWMJBXILOKZFT-UHFFFAOYSA-N 1 0 387.434 2.626 50 0 GFAARO Cc1nc(C)c(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)s1 ZINC000067604499 205250828 /nfs/dbraw/zinc/25/08/28/205250828.db2.gz ZUPVCBRHKWOJQX-UHFFFAOYSA-N 1 0 395.492 2.651 50 0 GFAARO CCCN1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067694647 205256407 /nfs/dbraw/zinc/25/64/07/205256407.db2.gz OVERTRPUXAPUEI-HSZRJFAPSA-N 1 0 387.568 2.691 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(CN3CCC([NH+](C)C)CC3)C2=O)cc1 ZINC000067726559 205257110 /nfs/dbraw/zinc/25/71/10/205257110.db2.gz HSSAHJKPKPTEBQ-QHCPKHFHSA-N 1 0 387.568 2.690 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1 ZINC000067695003 205257497 /nfs/dbraw/zinc/25/74/97/205257497.db2.gz QGRBKPQYCNRLTM-FQEVSTJZSA-N 1 0 399.535 2.872 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(C)ccc3C)CC2)C1 ZINC000067757000 205259356 /nfs/dbraw/zinc/25/93/56/205259356.db2.gz IPLQMZSJIHHAGJ-HXUWFJFHSA-N 1 0 387.568 2.742 50 0 GFAARO C[N@@H+]1CCCC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000067846689 205264995 /nfs/dbraw/zinc/26/49/95/205264995.db2.gz CLGNHMZURZYISI-UHFFFAOYSA-N 1 0 375.488 2.670 50 0 GFAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cnc1C ZINC000067947936 205268291 /nfs/dbraw/zinc/26/82/91/205268291.db2.gz KPFJNAZCYIOHEY-HSZRJFAPSA-N 1 0 381.520 2.774 50 0 GFAARO CCc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncc1C ZINC000071422271 205283782 /nfs/dbraw/zinc/28/37/82/205283782.db2.gz MMKPIVSEOFTURB-GOSISDBHSA-N 1 0 385.556 2.651 50 0 GFAARO Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071439350 205283997 /nfs/dbraw/zinc/28/39/97/205283997.db2.gz LLWJZCZPVJSIJC-LJQANCHMSA-N 1 0 386.471 2.590 50 0 GFAARO CN1c2ccccc2[C@](CCC(=O)N2CCC([NH3+])CC2)(Cc2ccccc2)C1=O ZINC000071589510 205286325 /nfs/dbraw/zinc/28/63/25/205286325.db2.gz JEVDJXZMQSFLDP-DEOSSOPVSA-N 1 0 391.515 2.873 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000071681220 205287638 /nfs/dbraw/zinc/28/76/38/205287638.db2.gz CRPLIDFERHFFLC-GOSISDBHSA-N 1 0 394.519 2.763 50 0 GFAARO CN(Cc1ccc(Cl)cc1)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071754766 205291329 /nfs/dbraw/zinc/29/13/29/205291329.db2.gz MTZSXOYDHLWCSC-CQSZACIVSA-N 1 0 394.928 2.637 50 0 GFAARO O=C(NCc1nccs1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071758929 205293861 /nfs/dbraw/zinc/29/38/61/205293861.db2.gz NHNBJGZCLUFTDV-SFHVURJKSA-N 1 0 399.564 2.531 50 0 GFAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071761951 205293955 /nfs/dbraw/zinc/29/39/55/205293955.db2.gz CBNFVAQWRYDILN-FQEVSTJZSA-N 1 0 383.536 2.758 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774730 205297646 /nfs/dbraw/zinc/29/76/46/205297646.db2.gz AMUAAZWBVJMCQM-HXUWFJFHSA-N 1 0 396.535 2.976 50 0 GFAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000069531732 205276757 /nfs/dbraw/zinc/27/67/57/205276757.db2.gz CRHCSPRHVWJTJW-KRWDZBQOSA-N 1 0 393.915 2.506 50 0 GFAARO C[C@@H](CNC(=O)CCCNC(=O)OCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000069923695 205277124 /nfs/dbraw/zinc/27/71/24/205277124.db2.gz GABVGWJAKLBVPW-SFHVURJKSA-N 1 0 375.513 2.930 50 0 GFAARO CSCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072120952 205305599 /nfs/dbraw/zinc/30/55/99/205305599.db2.gz ASOKKWBIQKQHAJ-RTWAWAEBSA-N 1 0 397.544 2.822 50 0 GFAARO O=C(CCCn1cccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133217 205309496 /nfs/dbraw/zinc/30/94/96/205309496.db2.gz MQRZLKGRDBZHOD-KSEOMHKRSA-N 1 0 382.483 2.891 50 0 GFAARO CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1=O ZINC000072140260 205309538 /nfs/dbraw/zinc/30/95/38/205309538.db2.gz BSVUFFUBVZWCCP-KSEOMHKRSA-N 1 0 377.488 2.571 50 0 GFAARO COc1ccc(Oc2cccc(CN3CC[NH2+][C@@H](C(=O)NC4CC4)C3)c2)cc1 ZINC000072144250 205310207 /nfs/dbraw/zinc/31/02/07/205310207.db2.gz RZGBILOLVDQQGY-OAQYLSRUSA-N 1 0 381.476 2.540 50 0 GFAARO CC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)cc1 ZINC000072153072 205313235 /nfs/dbraw/zinc/31/32/35/205313235.db2.gz GXKQKAKCDZZVQF-UHFFFAOYSA-N 1 0 381.568 2.992 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)cc1OC ZINC000072170245 205315806 /nfs/dbraw/zinc/31/58/06/205315806.db2.gz PRSUHTKLIZARLS-QGZVFWFLSA-N 1 0 386.496 2.514 50 0 GFAARO 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GFAARO CCOC(=O)COCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000253428392 206147547 /nfs/dbraw/zinc/14/75/47/206147547.db2.gz JOIWGHXZMNTXJF-UHFFFAOYSA-N 1 0 382.504 2.973 50 0 GFAARO CC(C)n1nc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000261492378 206182892 /nfs/dbraw/zinc/18/28/92/206182892.db2.gz WOYVUDDZNLFJGE-UHFFFAOYSA-N 1 0 399.520 2.506 50 0 GFAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNS(=O)(=O)C(C)C)O3)CC2)cc1 ZINC000299757415 206185340 /nfs/dbraw/zinc/18/53/40/206185340.db2.gz HDBDEWRMCWHVIR-IBGZPJMESA-N 1 0 396.553 2.537 50 0 GFAARO CCCCn1nccc1NC(=O)N1CCCC[C@@H]1CC[NH+]1CCN(C)CC1 ZINC000299767023 206186242 /nfs/dbraw/zinc/18/62/42/206186242.db2.gz ANJKIVUMDZUYFJ-GOSISDBHSA-N 1 0 376.549 2.707 50 0 GFAARO O=C(C[NH+]1CCCCC1)NC[C@@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000299759917 206186995 /nfs/dbraw/zinc/18/69/95/206186995.db2.gz PBBUYKMMTALJHI-INIZCTEOSA-N 1 0 386.883 2.703 50 0 GFAARO O=C(NCCc1nc(Cc2ccccc2)no1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299771953 206189262 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C[NH+]1CCN(c2ccc(C(=O)NCc3nc(C4CCCCC4)no3)cc2)CC1 ZINC000223248260 136205650 /nfs/dbraw/zinc/20/56/50/136205650.db2.gz KUXFPBHRUGRLHU-UHFFFAOYSA-N 1 0 383.496 2.799 50 0 GFAARO O=C(CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)N1CCc2ccccc2C1 ZINC000065470302 222132126 /nfs/dbraw/zinc/13/21/26/222132126.db2.gz OKTIAGRKSJHYST-FQEVSTJZSA-N 1 0 389.503 2.884 50 0 GFAARO CCOc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000065363634 535527235 /nfs/dbraw/zinc/52/72/35/535527235.db2.gz BUAOEAGAGVUXOF-UHFFFAOYSA-N 1 0 384.484 2.604 50 0 GFAARO C[NH+](C)CCNC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000046079965 535891271 /nfs/dbraw/zinc/89/12/71/535891271.db2.gz WQXRZTYKGOUMFT-UHFFFAOYSA-N 1 0 398.482 2.949 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O ZINC000005044179 551095803 /nfs/dbraw/zinc/09/58/03/551095803.db2.gz RMTFIQNOABJVMV-UHFFFAOYSA-N 1 0 397.269 2.636 50 0 GFAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C)c2Cl)C1 ZINC000670452818 565723325 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ZINC000020877449 570283383 /nfs/dbraw/zinc/28/33/83/570283383.db2.gz DLZDJEJIOPDFID-FQEVSTJZSA-N 1 0 384.568 2.748 50 0 GFAARO COc1cc(CNCC[NH2+]CCO)ccc1OCc1ccc(F)cc1Cl ZINC000022074895 570304831 /nfs/dbraw/zinc/30/48/31/570304831.db2.gz HJRUCJSFHCPSTO-UHFFFAOYSA-N 1 0 382.863 2.738 50 0 GFAARO Cc1nn(C)c(Cl)c1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000030653289 570311497 /nfs/dbraw/zinc/31/14/97/570311497.db2.gz FENBWOQOACEIOJ-UHFFFAOYSA-N 1 0 396.944 2.633 50 0 GFAARO COc1ccc(OC)c(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022851327 570331419 /nfs/dbraw/zinc/33/14/19/570331419.db2.gz XBKMPEYOPWNMFO-OAQYLSRUSA-N 1 0 384.520 2.815 50 0 GFAARO CC[NH+](CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1ccccc1 ZINC000024943456 570369503 /nfs/dbraw/zinc/36/95/03/570369503.db2.gz TVVMLOAVVGBRJK-LJQANCHMSA-N 1 0 395.459 2.560 50 0 GFAARO C[C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)[C@H]1C[NH3+] ZINC000237654801 570388273 /nfs/dbraw/zinc/38/82/73/570388273.db2.gz CKJOTKLGBKGPJD-JXFKEZNVSA-N 1 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/nfs/dbraw/zinc/43/75/64/570437564.db2.gz JFMHUDNHXWRNBI-FQEVSTJZSA-N 1 0 395.503 2.784 50 0 GFAARO O=C(CC[NH+]1CCC(c2nnc3ccccn32)CC1)Nc1ccc2c(c1)OCO2 ZINC000126625251 570455272 /nfs/dbraw/zinc/45/52/72/570455272.db2.gz COQOPAQARCKMPG-UHFFFAOYSA-N 1 0 393.447 2.666 50 0 GFAARO O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000029093768 570468372 /nfs/dbraw/zinc/46/83/72/570468372.db2.gz SRIOMNLBBGPNOY-UHFFFAOYSA-N 1 0 392.455 2.906 50 0 GFAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccnn1C ZINC000012058114 570603528 /nfs/dbraw/zinc/60/35/28/570603528.db2.gz LHWJMQXKWQUGSQ-UHFFFAOYSA-N 1 0 388.487 2.560 50 0 GFAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)s1 ZINC000033022594 570648528 /nfs/dbraw/zinc/64/85/28/570648528.db2.gz DODGZKKVXBYGOC-UHFFFAOYSA-N 1 0 387.509 2.705 50 0 GFAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000012438819 570662972 /nfs/dbraw/zinc/66/29/72/570662972.db2.gz HZQALBNMSAHGNV-UHFFFAOYSA-N 1 0 389.927 2.935 50 0 GFAARO COc1ccc(-n2cc(C[NH2+]CCNC(C)=O)c(-c3cccc(F)c3)n2)cc1 ZINC000012594900 570688515 /nfs/dbraw/zinc/68/85/15/570688515.db2.gz JWMKHEJGAPSCPX-UHFFFAOYSA-N 1 0 382.439 2.913 50 0 GFAARO COCCN(Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012835972 570723458 /nfs/dbraw/zinc/72/34/58/570723458.db2.gz GYCIGSGNSFXLDD-IBGZPJMESA-N 1 0 382.552 2.748 50 0 GFAARO O=C(NCCc1ccccn1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255933 570754742 /nfs/dbraw/zinc/75/47/42/570754742.db2.gz RQVHTDDYLOABOY-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO COc1ccc(CN2CCc3oc(C)c(C(=O)NC4CC[NH+](C)CC4)c3C2)cc1 ZINC000065289723 570785446 /nfs/dbraw/zinc/78/54/46/570785446.db2.gz XUYWEGZXJFKTQH-UHFFFAOYSA-N 1 0 397.519 2.979 50 0 GFAARO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101277900 570818307 /nfs/dbraw/zinc/81/83/07/570818307.db2.gz VWQFFCVTAAFTNP-RTBURBONSA-N 1 0 375.472 2.665 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000014161307 570825631 /nfs/dbraw/zinc/82/56/31/570825631.db2.gz SLOKZUVKLWYSAF-QFBILLFUSA-N 1 0 399.491 2.750 50 0 GFAARO Cn1c2ccccc2nc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)c1=O ZINC000033171803 570836140 /nfs/dbraw/zinc/83/61/40/570836140.db2.gz UPCGAPSXURDWKE-UHFFFAOYSA-N 1 0 390.487 2.816 50 0 GFAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NC2CC2)C1 ZINC000014543508 570849254 /nfs/dbraw/zinc/84/92/54/570849254.db2.gz KHCKHJGFKHOLFA-RBUKOAKNSA-N 1 0 383.536 2.987 50 0 GFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2CCOC ZINC000014745632 570858945 /nfs/dbraw/zinc/85/89/45/570858945.db2.gz NSBQDZHGMNDMDF-SFHVURJKSA-N 1 0 387.524 2.773 50 0 GFAARO CCOc1ccc(OCC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000170601427 570859008 /nfs/dbraw/zinc/85/90/08/570859008.db2.gz MENYCGLKMOSKRU-HSZRJFAPSA-N 1 0 398.503 2.560 50 0 GFAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCC([NH+]2CCCC2)CC1 ZINC000014981214 570869731 /nfs/dbraw/zinc/86/97/31/570869731.db2.gz HIBHIIONFIHUCT-DEOSSOPVSA-N 1 0 399.579 2.533 50 0 GFAARO Cc1nc(C[C@@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616840 570874384 /nfs/dbraw/zinc/87/43/84/570874384.db2.gz INPCZXPBOHDWBT-LEWJYISDSA-N 1 0 384.524 2.924 50 0 GFAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000015063946 570875145 /nfs/dbraw/zinc/87/51/45/570875145.db2.gz RXTJQVBMPOFTLS-FQEVSTJZSA-N 1 0 379.453 2.606 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)C1 ZINC000015074192 570878527 /nfs/dbraw/zinc/87/85/27/570878527.db2.gz QJSXWBPMMXCASH-INIZCTEOSA-N 1 0 380.496 2.610 50 0 GFAARO CC[NH+]1CCN(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)CC1 ZINC000022937337 570882086 /nfs/dbraw/zinc/88/20/86/570882086.db2.gz IVMXNMOACZSGOD-UHFFFAOYSA-N 1 0 384.549 2.810 50 0 GFAARO COc1cccc(NC(=O)[C@H]([NH2+]C2CCN(C(C)=O)CC2)c2ccccc2)c1 ZINC000015501068 570895746 /nfs/dbraw/zinc/89/57/46/570895746.db2.gz QPRDOJNMGIEIQH-OAQYLSRUSA-N 1 0 381.476 2.976 50 0 GFAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cnc2ccccn2c1=O ZINC000032902484 570898401 /nfs/dbraw/zinc/89/84/01/570898401.db2.gz SECVLLHJDAOVRT-GOSISDBHSA-N 1 0 396.878 2.915 50 0 GFAARO CN(CC[NH+](C)C)C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579608 570899365 /nfs/dbraw/zinc/89/93/65/570899365.db2.gz AKDHAZXCYHDABN-QNGOZBTKSA-N 1 0 390.487 2.959 50 0 GFAARO C[C@@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000097165436 570901796 /nfs/dbraw/zinc/90/17/96/570901796.db2.gz OWINPGJFYSSUKC-QFIPXVFZSA-N 1 0 383.467 2.726 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016025179 570911971 /nfs/dbraw/zinc/91/19/71/570911971.db2.gz YYRKTOXXDWIDNM-WPMYHTOXSA-N 1 0 389.883 2.515 50 0 GFAARO COc1cn(CC(=O)NCc2ccc(C)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000017041567 570925214 /nfs/dbraw/zinc/92/52/14/570925214.db2.gz IIYUMSYTCINLPK-UHFFFAOYSA-N 1 0 397.519 2.858 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000032930887 570944441 /nfs/dbraw/zinc/94/44/41/570944441.db2.gz ORKFZFIDOVTHAI-HUUCEWRRSA-N 1 0 384.446 2.917 50 0 GFAARO FC(F)(F)c1ccccc1OCC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000106470236 570963545 /nfs/dbraw/zinc/96/35/45/570963545.db2.gz PPSSXAVVAJJYCG-UHFFFAOYSA-N 1 0 382.386 2.501 50 0 GFAARO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C2=O ZINC000084207871 571009450 /nfs/dbraw/zinc/00/94/50/571009450.db2.gz XUMGEKJXOYCOIR-AUUYWEPGSA-N 1 0 397.450 2.538 50 0 GFAARO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2nc(C)sc2n1 ZINC000046032378 571014223 /nfs/dbraw/zinc/01/42/23/571014223.db2.gz FPJOSVDTJJEAJF-UHFFFAOYSA-N 1 0 388.493 2.889 50 0 GFAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)cn1 ZINC000091585549 571015468 /nfs/dbraw/zinc/01/54/68/571015468.db2.gz MUZNIEHFJAESPP-UHFFFAOYSA-N 1 0 380.536 2.910 50 0 GFAARO S=C(Nc1ccccc1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019637663 571022272 /nfs/dbraw/zinc/02/22/72/571022272.db2.gz WZVSEUQOHORVNL-DHHCDUQHSA-N 1 0 378.545 2.541 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc3c1ccn3C)CC2 ZINC000091745919 571028811 /nfs/dbraw/zinc/02/88/11/571028811.db2.gz KIBZOGXDAPCWFL-UHFFFAOYSA-N 1 0 377.492 2.911 50 0 GFAARO CN(C)C(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091997224 571039405 /nfs/dbraw/zinc/03/94/05/571039405.db2.gz IPLXTKMDBGGLHH-HXUWFJFHSA-N 1 0 383.536 2.725 50 0 GFAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)C1 ZINC000015677578 571043915 /nfs/dbraw/zinc/04/39/15/571043915.db2.gz YMUTUEJHHBYRNC-INIZCTEOSA-N 1 0 382.508 2.585 50 0 GFAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)[C@H](O)C1CCCCC1 ZINC000092081477 571045006 /nfs/dbraw/zinc/04/50/06/571045006.db2.gz IXQIXMRHOMGKFS-OAQYLSRUSA-N 1 0 388.556 2.979 50 0 GFAARO Cc1ccn(CCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095357006 571052653 /nfs/dbraw/zinc/05/26/53/571052653.db2.gz LQAOPUYJZRXUPX-KSEOMHKRSA-N 1 0 382.483 2.810 50 0 GFAARO CCCCOCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095361960 571056161 /nfs/dbraw/zinc/05/61/61/571056161.db2.gz YVCDINQXSZOMQS-MTNREXPMSA-N 1 0 386.492 2.621 50 0 GFAARO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)cn1 ZINC000095371865 571061270 /nfs/dbraw/zinc/06/12/70/571061270.db2.gz MXKPGTACANKYRW-PKOBYXMFSA-N 1 0 380.492 2.784 50 0 GFAARO O=C(CCCn1ccnc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095372294 571061714 /nfs/dbraw/zinc/06/17/14/571061714.db2.gz MYRLKKLVMQXCRZ-GHTZIAJQSA-N 1 0 378.520 2.754 50 0 GFAARO C=Cc1ccc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000095373948 571062815 /nfs/dbraw/zinc/06/28/15/571062815.db2.gz KGCRAHRPMHPOLN-HSZRJFAPSA-N 1 0 381.520 2.879 50 0 GFAARO CN1CC[C@]2(CN(Cc3cnc(C4CCCCC4)nc3)CC[N@@H+]2C)CCC1=O ZINC000095374133 571063436 /nfs/dbraw/zinc/06/34/36/571063436.db2.gz HZRJOVJOOCOTMM-QFIPXVFZSA-N 1 0 385.556 2.653 50 0 GFAARO CN(C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc(F)c1 ZINC000095383470 571069030 /nfs/dbraw/zinc/06/90/30/571069030.db2.gz PWZXAKNQNZNSOL-NRFANRHFSA-N 1 0 385.483 2.915 50 0 GFAARO O=C(NCc1noc(Cc2ccccc2)n1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095391302 571073079 /nfs/dbraw/zinc/07/30/79/571073079.db2.gz UDRLISYFPRENRX-UHFFFAOYSA-N 1 0 380.448 2.782 50 0 GFAARO O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095391527 571073095 /nfs/dbraw/zinc/07/30/95/571073095.db2.gz CAUWTNMUASYOPJ-RBBKRZOGSA-N 1 0 382.479 2.984 50 0 GFAARO CCOc1cc2c(cc1CN1CC[N@H+](C)[C@@]3(C1)CCC(=O)N(C)CC3)CCC2 ZINC000095392073 571073157 /nfs/dbraw/zinc/07/31/57/571073157.db2.gz KCDFFRLHVCWLKQ-QHCPKHFHSA-N 1 0 385.552 2.703 50 0 GFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000095392496 571073478 /nfs/dbraw/zinc/07/34/78/571073478.db2.gz PGFBCIPAUNHWRC-CQSZACIVSA-N 1 0 376.888 2.824 50 0 GFAARO CC(=O)c1cc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cs1 ZINC000095392729 571073587 /nfs/dbraw/zinc/07/35/87/571073587.db2.gz MUJQJWHPFXCCBF-MAUKXSAKSA-N 1 0 376.522 2.595 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cccn1C ZINC000095498695 571075383 /nfs/dbraw/zinc/07/53/83/571075383.db2.gz CKBKSLDPHADYSX-LJQANCHMSA-N 1 0 395.547 2.993 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(O)c(OC)c1)CC2 ZINC000095500101 571075703 /nfs/dbraw/zinc/07/57/03/571075703.db2.gz MGFYZWURNUOPEG-UHFFFAOYSA-N 1 0 384.480 2.524 50 0 GFAARO O[C@@H](COc1ccc(Cl)cc1CN1CCC(O)CC1)C[NH+]1CCCCCC1 ZINC000095501986 571076820 /nfs/dbraw/zinc/07/68/20/571076820.db2.gz SLRIVZGYBYXRCB-HXUWFJFHSA-N 1 0 396.959 2.912 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)nc2)C1 ZINC000095507993 571079695 /nfs/dbraw/zinc/07/96/95/571079695.db2.gz ASPXURIXXPKZJK-SFHVURJKSA-N 1 0 382.508 2.820 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000095511338 571082196 /nfs/dbraw/zinc/08/21/96/571082196.db2.gz HBYVTJDXOIBUMT-OAHLLOKOSA-N 1 0 386.525 2.564 50 0 GFAARO Cc1nc2c(c(NCC[C@H](C)[NH+]3CCN(C)CC3)n1)Cc1ccccc1OC2 ZINC000095512393 571082869 /nfs/dbraw/zinc/08/28/69/571082869.db2.gz GXCBANUWTCWKGE-INIZCTEOSA-N 1 0 381.524 2.706 50 0 GFAARO C[C@@H](C(=O)NC1CC1)[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095520613 571086456 /nfs/dbraw/zinc/08/64/56/571086456.db2.gz IJOXVNNSKIZEGS-HNNXBMFYSA-N 1 0 389.927 2.822 50 0 GFAARO Cn1cnnc1-c1ccc(NC(=O)N2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000095520605 571086669 /nfs/dbraw/zinc/08/66/69/571086669.db2.gz IZPGRKNGOXPSTB-UHFFFAOYSA-N 1 0 386.525 2.527 50 0 GFAARO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C2)c2c(n1Cc1ccccc1F)CCCC2=O ZINC000095526415 571091217 /nfs/dbraw/zinc/09/12/17/571091217.db2.gz WCIALKSWIQFSDS-MRXNPFEDSA-N 1 0 383.467 2.605 50 0 GFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000095528814 571091786 /nfs/dbraw/zinc/09/17/86/571091786.db2.gz NFNYZAUDHYWPOU-UHFFFAOYSA-N 1 0 381.480 2.573 50 0 GFAARO Cc1nc2cc(C(=O)N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)ccc2[nH]1 ZINC000095530600 571092912 /nfs/dbraw/zinc/09/29/12/571092912.db2.gz GETKRENWWGXDHV-QGZVFWFLSA-N 1 0 380.496 2.649 50 0 GFAARO OCC[NH2+]CCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000002639059 654437363 /nfs/dbraw/zinc/43/73/63/654437363.db2.gz DCRTVBZPBYLGBP-UHFFFAOYSA-N 1 0 375.885 2.657 50 0 GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070173472 654992425 /nfs/dbraw/zinc/99/24/25/654992425.db2.gz RUAQCFIYLGHWAB-NXEZZACHSA-N 1 0 381.723 2.850 50 0 GFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000606441690 677674362 /nfs/dbraw/zinc/67/43/62/677674362.db2.gz PIPGUORJQDZWLL-LSYFEZSPSA-N 1 0 393.260 2.594 50 0 GFAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000606441161 677674366 /nfs/dbraw/zinc/67/43/66/677674366.db2.gz HZINQVIYPSTXDH-KXQLTZBTSA-N 1 0 393.260 2.737 50 0 GFAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000426392799 231214031 /nfs/dbraw/zinc/21/40/31/231214031.db2.gz LRVDFBCPTBDHDX-UHFFFAOYSA-N 1 0 388.830 2.932 50 0 GFAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426511646 231233274 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C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938933 204094873 /nfs/dbraw/zinc/09/48/73/204094873.db2.gz MBRVFEZXPLEQAB-OAHLLOKOSA-N 1 0 380.492 2.634 50 0 GFAARO CC[NH+](CC)CCNC(=O)CN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000006878041 204218695 /nfs/dbraw/zinc/21/86/95/204218695.db2.gz XNGLZYGDRQGPFA-UHFFFAOYSA-N 1 0 382.464 2.601 50 0 GFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1 ZINC000006533196 204182445 /nfs/dbraw/zinc/18/24/45/204182445.db2.gz PXEDFBCIADYIGQ-UHFFFAOYSA-N 1 0 379.445 2.603 50 0 GFAARO CCC(=O)N1c2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2C[C@@H]1C ZINC000006730301 204195362 /nfs/dbraw/zinc/19/53/62/204195362.db2.gz UBMQRIZQSZMADD-INIZCTEOSA-N 1 0 393.553 2.529 50 0 GFAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cccn2)cc1 ZINC000006939475 204226147 /nfs/dbraw/zinc/22/61/47/204226147.db2.gz DDZYZLOKWKWPSR-UHFFFAOYSA-N 1 0 396.516 2.815 50 0 GFAARO COc1ccc(COC[C@H](O)C[NH2+]CCOc2ccc(C)cc2)cc1OC ZINC000007737961 204248496 /nfs/dbraw/zinc/24/84/96/204248496.db2.gz PEWSCWQZTFTKHI-GOSISDBHSA-N 1 0 375.465 2.558 50 0 GFAARO O=S(=O)(c1ccc(CNCc2c(F)cccc2Cl)cc1)N1CCOCC1 ZINC000008750172 204289107 /nfs/dbraw/zinc/28/91/07/204289107.db2.gz WSCISAOVMYEHIR-UHFFFAOYSA-N 1 0 398.887 2.790 50 0 GFAARO Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)o1 ZINC000008778323 204289515 /nfs/dbraw/zinc/28/95/15/204289515.db2.gz OMMGZZTXUWCQPI-UHFFFAOYSA-N 1 0 391.493 2.555 50 0 GFAARO Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CC[NH+](C)C)c(=N)c12 ZINC000009420100 204309992 /nfs/dbraw/zinc/30/99/92/204309992.db2.gz IMYBBBZURMPBCB-UHFFFAOYSA-N 1 0 389.301 2.642 50 0 GFAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1 ZINC000010111248 204329801 /nfs/dbraw/zinc/32/98/01/204329801.db2.gz GTYHYLAHZJELGG-UHFFFAOYSA-N 1 0 375.332 2.994 50 0 GFAARO O=S(=O)(CCn1cnc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010237734 204333440 /nfs/dbraw/zinc/33/34/40/204333440.db2.gz VUSVEGLSLDGZHS-UHFFFAOYSA-N 1 0 398.532 2.620 50 0 GFAARO CCn1nnc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)ccc21 ZINC000011722046 204350585 /nfs/dbraw/zinc/35/05/85/204350585.db2.gz GLZGJYZYWFLBGF-UHFFFAOYSA-N 1 0 378.480 2.764 50 0 GFAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000011701805 204351566 /nfs/dbraw/zinc/35/15/66/204351566.db2.gz TVXRFDOINQPDSI-UHFFFAOYSA-N 1 0 375.488 2.667 50 0 GFAARO CCn1ccnc1CN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011819315 204355066 /nfs/dbraw/zinc/35/50/66/204355066.db2.gz CCCUCYKVMIBYQH-HXUWFJFHSA-N 1 0 386.540 2.761 50 0 GFAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)CC1 ZINC000011879023 204359838 /nfs/dbraw/zinc/35/98/38/204359838.db2.gz JJMLPRJAFPRYMK-HNNXBMFYSA-N 1 0 379.526 2.811 50 0 GFAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000011937713 204364984 /nfs/dbraw/zinc/36/49/84/204364984.db2.gz KOCLEEJVSHTNRB-IBGZPJMESA-N 1 0 395.503 2.891 50 0 GFAARO COc1cc(C(=O)N(CCO)Cc2ccccc2)ccc1OC1CC[NH+](C)CC1 ZINC000012004804 204366970 /nfs/dbraw/zinc/36/69/70/204366970.db2.gz FYIXRZQTXJZHHA-UHFFFAOYSA-N 1 0 398.503 2.803 50 0 GFAARO COC(=O)CCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012020970 204367787 /nfs/dbraw/zinc/36/77/87/204367787.db2.gz MGUPTVRBVXSOBH-FQEVSTJZSA-N 1 0 394.556 2.992 50 0 GFAARO COC(=O)CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012198890 204381499 /nfs/dbraw/zinc/38/14/99/204381499.db2.gz IHXKMUFIQZHITK-IBGZPJMESA-N 1 0 380.529 2.602 50 0 GFAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000012209116 204384403 /nfs/dbraw/zinc/38/44/03/204384403.db2.gz GCPQNKZAUDIZLB-LJQANCHMSA-N 1 0 390.487 2.520 50 0 GFAARO C[N@H+](CCn1cccn1)Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000012243301 204386110 /nfs/dbraw/zinc/38/61/10/204386110.db2.gz XAZYCEVNXZSMNQ-UHFFFAOYSA-N 1 0 391.450 2.912 50 0 GFAARO Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 ZINC000012298203 204391251 /nfs/dbraw/zinc/39/12/51/204391251.db2.gz MZBVHFJXSMFWPA-FQEVSTJZSA-N 1 0 378.419 2.852 50 0 GFAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cc(C)n[nH]1 ZINC000012304930 204392402 /nfs/dbraw/zinc/39/24/02/204392402.db2.gz BBABGUDGJGOCDE-UHFFFAOYSA-N 1 0 388.487 2.858 50 0 GFAARO CC[C@@H](O)CNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012612435 204430321 /nfs/dbraw/zinc/43/03/21/204430321.db2.gz OCMLPOWKTLTZKQ-QGZVFWFLSA-N 1 0 390.524 2.982 50 0 GFAARO NC(=O)N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000012754988 204442263 /nfs/dbraw/zinc/44/22/63/204442263.db2.gz UDKLMEWTQWVEHP-HXUWFJFHSA-N 1 0 380.492 2.698 50 0 GFAARO CCOc1cc(C[NH2+]CCCOC)ccc1Oc1nnnn1-c1ccccc1 ZINC000013722687 204508979 /nfs/dbraw/zinc/50/89/79/204508979.db2.gz NPAJFJCYTOKAFC-UHFFFAOYSA-N 1 0 383.452 2.979 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cccs1)C2 ZINC000014531943 204535097 /nfs/dbraw/zinc/53/50/97/204535097.db2.gz JFMHANWIZNLSJO-AWEZNQCLSA-N 1 0 390.578 2.801 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1=Cc2ccccc2OC1 ZINC000021095618 204752523 /nfs/dbraw/zinc/75/25/23/204752523.db2.gz HGHCDBIXYISTBN-UHFFFAOYSA-N 1 0 395.478 2.930 50 0 GFAARO CCc1ccc([C@H]([NH2+]CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 ZINC000024747460 204824006 /nfs/dbraw/zinc/82/40/06/204824006.db2.gz DRMFFKOGFRYAJI-RBBKRZOGSA-N 1 0 395.503 2.815 50 0 GFAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000035504568 204992147 /nfs/dbraw/zinc/99/21/47/204992147.db2.gz WBENQNMSHSTEQH-UHFFFAOYSA-N 1 0 399.582 2.546 50 0 GFAARO C[NH+](C)CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000036391761 205016834 /nfs/dbraw/zinc/01/68/34/205016834.db2.gz RRGMVYOYUOZPSH-UHFFFAOYSA-N 1 0 399.875 2.571 50 0 GFAARO Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCC[NH+](C)C)c12 ZINC000036618345 205018698 /nfs/dbraw/zinc/01/86/98/205018698.db2.gz VATKMUDHRKSISM-UHFFFAOYSA-N 1 0 382.420 2.608 50 0 GFAARO COc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000070922154 205024930 /nfs/dbraw/zinc/02/49/30/205024930.db2.gz XFRIFHZRVWVZQK-UHFFFAOYSA-N 1 0 375.494 2.594 50 0 GFAARO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3COc4ccccc4C3)c2)CC1 ZINC000040134776 205057317 /nfs/dbraw/zinc/05/73/17/205057317.db2.gz MBCGLSVCQBLPMM-LJQANCHMSA-N 1 0 393.487 2.574 50 0 GFAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OC(C)C ZINC000040719590 205068441 /nfs/dbraw/zinc/06/84/41/205068441.db2.gz VZQSDFQHXHMGTQ-UHFFFAOYSA-N 1 0 387.318 2.667 50 0 GFAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000042379156 205079759 /nfs/dbraw/zinc/07/97/59/205079759.db2.gz AURZWLDIKJKQAL-JKSUJKDBSA-N 1 0 380.558 2.641 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[NH2+]CC3)cc2Br)no1 ZINC000299753535 205105741 /nfs/dbraw/zinc/10/57/41/205105741.db2.gz YMKKZVQUPNNRDH-UHFFFAOYSA-N 1 0 394.269 2.760 50 0 GFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)cn2)CC1 ZINC000048324608 205119187 /nfs/dbraw/zinc/11/91/87/205119187.db2.gz MBALZNTTXLSXDI-UHFFFAOYSA-N 1 0 390.491 2.544 50 0 GFAARO O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299749642 205103102 /nfs/dbraw/zinc/10/31/02/205103102.db2.gz LCSFQADFZPXQBS-OWZDWXTDSA-N 1 0 383.879 2.792 50 0 GFAARO COc1cc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1O ZINC000058179461 205167901 /nfs/dbraw/zinc/16/79/01/205167901.db2.gz PQNLAFQHALSLCT-HUUCEWRRSA-N 1 0 379.501 2.577 50 0 GFAARO COC(=O)N1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000058172245 205168090 /nfs/dbraw/zinc/16/80/90/205168090.db2.gz LFQCFPOZDSOYIZ-UHFFFAOYSA-N 1 0 376.501 2.557 50 0 GFAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)ccc12 ZINC000058381201 205173610 /nfs/dbraw/zinc/17/36/10/205173610.db2.gz OLPVDYOPQWIQJH-MAUKXSAKSA-N 1 0 385.464 2.724 50 0 GFAARO Cc1cc(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)n1 ZINC000065385916 205233483 /nfs/dbraw/zinc/23/34/83/205233483.db2.gz ABAKFIAEPBSPHR-LJQANCHMSA-N 1 0 380.492 2.956 50 0 GFAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065466304 205235210 /nfs/dbraw/zinc/23/52/10/205235210.db2.gz BVAZRFPNEFHPAQ-JTHBVZDNSA-N 1 0 379.504 2.996 50 0 GFAARO CC(C)(C)OC(=O)NCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000066323406 205241594 /nfs/dbraw/zinc/24/15/94/205241594.db2.gz MMPPFABFCSYSQR-UHFFFAOYSA-N 1 0 377.485 2.902 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCC(C)(CO)CC3)C2=O)cc1 ZINC000067654414 205252533 /nfs/dbraw/zinc/25/25/33/205252533.db2.gz QXGIZIAJJKZPNI-QHCPKHFHSA-N 1 0 388.552 2.758 50 0 GFAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(N(C)C)[nH+]1 ZINC000067629630 205253262 /nfs/dbraw/zinc/25/32/62/205253262.db2.gz LWLICMVNUBJTBZ-UHFFFAOYSA-N 1 0 392.866 2.998 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH+]3CCC(C)(C)CC3)C2=O)c1OC ZINC000067675565 205253625 /nfs/dbraw/zinc/25/36/25/205253625.db2.gz DJHSRIHXJQEWHT-JOCHJYFZSA-N 1 0 390.524 2.679 50 0 GFAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723671 205256385 /nfs/dbraw/zinc/25/63/85/205256385.db2.gz AGVZRWZDYXTWOE-NRFANRHFSA-N 1 0 387.568 2.688 50 0 GFAARO CCc1ccc(CN2CC[N@H+](C)C3(CCN(C(=O)c4ccco4)CC3)C2)nc1 ZINC000067725526 205256580 /nfs/dbraw/zinc/25/65/80/205256580.db2.gz BRAGPKNQVKPQJC-UHFFFAOYSA-N 1 0 382.508 2.659 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H]3c3ccccn3)cnn2c1 ZINC000067773214 205261077 /nfs/dbraw/zinc/26/10/77/205261077.db2.gz UVCRQLUNYTWIBX-LJQANCHMSA-N 1 0 378.480 2.943 50 0 GFAARO CCc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCOC)C2)CC1 ZINC000067855799 205263660 /nfs/dbraw/zinc/26/36/60/205263660.db2.gz MICNIXVVKDMLAZ-OAQYLSRUSA-N 1 0 387.568 2.688 50 0 GFAARO CC[C@@H]1CN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)CC[NH2+]1 ZINC000067867336 205263906 /nfs/dbraw/zinc/26/39/06/205263906.db2.gz CGGMKKINTCVQMC-CYBMUJFWSA-N 1 0 386.477 2.996 50 0 GFAARO Cc1csc(CN2CC[N@@H+](C)C3(CCN(C(=O)CC(C)(C)C)CC3)C2)n1 ZINC000067884614 205266901 /nfs/dbraw/zinc/26/69/01/205266901.db2.gz FQPFDVZUZNOWDQ-UHFFFAOYSA-N 1 0 378.586 2.996 50 0 GFAARO CCn1c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CCOC)C3)nc2ccccc21 ZINC000067947331 205268388 /nfs/dbraw/zinc/26/83/88/205268388.db2.gz PUNHZFLBEFHIQB-QFIPXVFZSA-N 1 0 384.524 2.907 50 0 GFAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000067433435 205247027 /nfs/dbraw/zinc/24/70/27/205247027.db2.gz WSAGCBKBBBMURM-HSZRJFAPSA-N 1 0 377.488 2.854 50 0 GFAARO Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000071767861 205294782 /nfs/dbraw/zinc/29/47/82/205294782.db2.gz KZQKMISQMDLYPU-KRWDZBQOSA-N 1 0 383.540 2.636 50 0 GFAARO Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000071767860 205295380 /nfs/dbraw/zinc/29/53/80/205295380.db2.gz KZQKMISQMDLYPU-QGZVFWFLSA-N 1 0 383.540 2.636 50 0 GFAARO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072130853 205307402 /nfs/dbraw/zinc/30/74/02/205307402.db2.gz CWDMSRQDLGJGPN-YADHBBJMSA-N 1 0 375.472 2.564 50 0 GFAARO O=C(c1cnn2c1CCCC2)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072147515 205309911 /nfs/dbraw/zinc/30/99/11/205309911.db2.gz SQERNBVVEIWHLB-CEMLEFRQSA-N 1 0 376.504 2.922 50 0 GFAARO CC[NH+](CC)[C@H]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000072303389 205321412 /nfs/dbraw/zinc/32/14/12/205321412.db2.gz GUKPFMBHALTJGQ-NRFANRHFSA-N 1 0 385.552 2.801 50 0 GFAARO C[NH+](C)CCN1Cc2c(cccc2C(=O)N2CCC[C@@H]2c2cccnc2)C1=O ZINC000072432634 205351096 /nfs/dbraw/zinc/35/10/96/205351096.db2.gz UEKUKSHXVFNJAM-HXUWFJFHSA-N 1 0 378.476 2.576 50 0 GFAARO CCCc1cc(CN(C)c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072480922 205355327 /nfs/dbraw/zinc/35/53/27/205355327.db2.gz NFUPDVZBQDYWQD-UHFFFAOYSA-N 1 0 377.496 2.539 50 0 GFAARO COc1cc(F)c(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000077302885 205359113 /nfs/dbraw/zinc/35/91/13/205359113.db2.gz QRIKKCVMCLIRJL-MRXNPFEDSA-N 1 0 379.520 2.691 50 0 GFAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)nc3)C2)CN1CCCO ZINC000077406093 205361012 /nfs/dbraw/zinc/36/10/12/205361012.db2.gz LWKQNGASGFNDCX-GOSISDBHSA-N 1 0 385.430 2.687 50 0 GFAARO Cc1ccc(-c2cccc(C(=O)N3CCOC[C@](O)(C[NH+]4CCCC4)C3)c2)o1 ZINC000077406760 205361079 /nfs/dbraw/zinc/36/10/79/205361079.db2.gz GDSLFHYHMODTLQ-QFIPXVFZSA-N 1 0 384.476 2.554 50 0 GFAARO Cc1cccc(=O)n1CCC(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077423948 205362718 /nfs/dbraw/zinc/36/27/18/205362718.db2.gz XIAMHHJJXIPVDA-UHFFFAOYSA-N 1 0 381.520 2.917 50 0 GFAARO O=C(Nc1ccc(F)cc1F)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000078954213 205377575 /nfs/dbraw/zinc/37/75/75/205377575.db2.gz CNQXGNJBYGZNMX-HNAYVOBHSA-N 1 0 375.419 2.969 50 0 GFAARO CCOc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1CO ZINC000082093716 205386194 /nfs/dbraw/zinc/38/61/94/205386194.db2.gz ZVUWNJPCJGBWGH-UHFFFAOYSA-N 1 0 381.476 2.976 50 0 GFAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082121744 205387800 /nfs/dbraw/zinc/38/78/00/205387800.db2.gz AHJYAUWUEGZHIA-PMACEKPBSA-N 1 0 376.460 2.594 50 0 GFAARO CCC[N@@H+]1CCCn2nc(CNC(=O)C3(c4ccc(OC)cc4)CC3)cc2C1 ZINC000082138324 205388581 /nfs/dbraw/zinc/38/85/81/205388581.db2.gz UIZSEEFDNOUBKS-UHFFFAOYSA-N 1 0 382.508 2.855 50 0 GFAARO CC1CC[NH+](C[C@@H](O)CNC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000084699884 205398909 /nfs/dbraw/zinc/39/89/09/205398909.db2.gz HCBMWUIYXSYHNI-INIZCTEOSA-N 1 0 377.485 2.772 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCOCC2)c1 ZINC000095502982 205473364 /nfs/dbraw/zinc/47/33/64/205473364.db2.gz KSJUTKIJYYIMEB-UHFFFAOYSA-N 1 0 388.508 2.953 50 0 GFAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2cccc(O)c2)CC3)cn1 ZINC000095508502 205478539 /nfs/dbraw/zinc/47/85/39/205478539.db2.gz OJWCOLGUHGILQR-UHFFFAOYSA-N 1 0 380.492 2.895 50 0 GFAARO CCC[NH+]1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 ZINC000027969917 206022719 /nfs/dbraw/zinc/02/27/19/206022719.db2.gz GOUJQJBYYZDIRY-UHFFFAOYSA-N 1 0 391.313 2.862 50 0 GFAARO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000225524045 206055246 /nfs/dbraw/zinc/05/52/46/206055246.db2.gz WXXZSHIAYQUKGH-HXUWFJFHSA-N 1 0 395.544 2.843 50 0 GFAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000030937114 206085630 /nfs/dbraw/zinc/08/56/30/206085630.db2.gz GQNNRKWULNKKFN-FQEVSTJZSA-N 1 0 384.524 2.635 50 0 GFAARO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000060364918 206102440 /nfs/dbraw/zinc/10/24/40/206102440.db2.gz FLCYUDIHGJPCND-OAHLLOKOSA-N 1 0 386.496 2.720 50 0 GFAARO CCOCCC[N@@H+]1CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)[C@@H](C)C1 ZINC000230237683 206112755 /nfs/dbraw/zinc/11/27/55/206112755.db2.gz BLOVERYUVJTGPE-VMXHOPILSA-N 1 0 377.529 2.719 50 0 GFAARO Cc1csc(C(=O)NCc2nn(CC[NH+]3CCCC3)c(=O)c3ccccc23)c1 ZINC000096024231 206114038 /nfs/dbraw/zinc/11/40/38/206114038.db2.gz XOWMQALZRGSYHN-UHFFFAOYSA-N 1 0 396.516 2.792 50 0 GFAARO C[C@H](COc1ccc(-c2ccccc2)cc1)CON1C(=N)NC(=[NH2+])NC1(C)C ZINC000096580351 206122854 /nfs/dbraw/zinc/12/28/54/206122854.db2.gz MPQDUZSOQKYXFW-OAHLLOKOSA-N 1 0 381.480 2.981 50 0 GFAARO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C1=O ZINC000229973232 206110526 /nfs/dbraw/zinc/11/05/26/206110526.db2.gz WOYYFQKPYWYZKQ-LBUQITIBSA-N 1 0 399.491 2.837 50 0 GFAARO CCOc1ccccc1NC(=O)CCN1CC[NH+](C2CCSCC2)CC1 ZINC000244898846 206133713 /nfs/dbraw/zinc/13/37/13/206133713.db2.gz ZCQLCCOACLMOGE-UHFFFAOYSA-N 1 0 377.554 2.927 50 0 GFAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2cccc(N3Cc4ccccc4C3)c2)C1 ZINC000299789518 206192325 /nfs/dbraw/zinc/19/23/25/206192325.db2.gz WJGNUUFQZWVMDX-SFHVURJKSA-N 1 0 379.504 2.857 50 0 GFAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000048710785 206209607 /nfs/dbraw/zinc/20/96/07/206209607.db2.gz CXKRDJHQSZSNRU-UHFFFAOYSA-N 1 0 396.944 2.656 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746336 136157526 /nfs/dbraw/zinc/15/75/26/136157526.db2.gz WKJMUPFPUQJALT-SFHVURJKSA-N 1 0 383.496 2.941 50 0 GFAARO Cc1cc(N2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000091726161 136177139 /nfs/dbraw/zinc/17/71/39/136177139.db2.gz DXGUDKISYOBRIE-VMPITWQZSA-N 1 0 377.492 2.900 50 0 GFAARO Cc1cc(C)nc(N2CCN(C(=O)c3ccc([C@H]4CCC[NH2+]C4)cc3)CC2)n1 ZINC000095352413 136177807 /nfs/dbraw/zinc/17/78/07/136177807.db2.gz FYFXZTVDZWJBPF-FQEVSTJZSA-N 1 0 379.508 2.523 50 0 GFAARO Cc1noc(-c2ccc(N3CCC(c4nccn4CC[NH+](C)C)CC3)nc2)n1 ZINC000095510256 136180734 /nfs/dbraw/zinc/18/07/34/136180734.db2.gz NGLZUYQDRGBHPQ-UHFFFAOYSA-N 1 0 381.484 2.582 50 0 GFAARO Cc1ccc(C(=O)NC(C)C)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096154146 136184714 /nfs/dbraw/zinc/18/47/14/136184714.db2.gz OOTAZJFUQDINMF-UHFFFAOYSA-N 1 0 381.480 2.882 50 0 GFAARO CCn1ncnc1-c1c(-c2ccccc2)ncn1C(C)(C)C[NH+]1CCOCC1 ZINC000065459751 222129139 /nfs/dbraw/zinc/12/91/39/222129139.db2.gz KZCHVDUOQSQCBH-UHFFFAOYSA-N 1 0 380.496 2.896 50 0 GFAARO CCCC(C)(C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000408518850 527984829 /nfs/dbraw/zinc/98/48/29/527984829.db2.gz FKRICQFCOTXIMV-UHFFFAOYSA-N 1 0 392.519 2.990 50 0 GFAARO CCCCC(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N2CCCC[C@H]2C)c1 ZINC000065025383 534956735 /nfs/dbraw/zinc/95/67/35/534956735.db2.gz XDYUNFQILDVMRQ-MRXNPFEDSA-N 1 0 387.528 2.635 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000040105299 535652432 /nfs/dbraw/zinc/65/24/32/535652432.db2.gz VERJFEHUQVQMAK-FQEVSTJZSA-N 1 0 381.524 2.892 50 0 GFAARO CCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000064799705 535700876 /nfs/dbraw/zinc/70/08/76/535700876.db2.gz AWPQDYLQNXJXBQ-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC000072283974 535744885 /nfs/dbraw/zinc/74/48/85/535744885.db2.gz ISKCDVMFTVJBJS-UHFFFAOYSA-N 1 0 383.492 2.776 50 0 GFAARO C[N@@H+]1CCN(c2ncc(Cl)cc2C(F)(F)F)C[C@]12CCNC(=O)CC2 ZINC000091872317 536427291 /nfs/dbraw/zinc/42/72/91/536427291.db2.gz ZBIWFRFVZJIKCG-HNNXBMFYSA-N 1 0 376.810 2.545 50 0 GFAARO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151354102 551411723 /nfs/dbraw/zinc/41/17/23/551411723.db2.gz HLSPSFNTYGPQFF-IUODEOHRSA-N 1 0 379.448 2.814 50 0 GFAARO CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000167078696 551632930 /nfs/dbraw/zinc/63/29/30/551632930.db2.gz JIQYLUJAPCZVLK-IRXDYDNUSA-N 1 0 385.599 2.706 50 0 GFAARO CCc1c(C(=O)N2CC[C@@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000178559899 552172492 /nfs/dbraw/zinc/17/24/92/552172492.db2.gz YYHKECRVJIDTJO-LBPRGKRZSA-N 1 0 377.286 2.618 50 0 GFAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000192936848 552978606 /nfs/dbraw/zinc/97/86/06/552978606.db2.gz CMDFIQMAPYCTAX-CQSZACIVSA-N 1 0 385.942 2.939 50 0 GFAARO Cc1c(Cl)cccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225564412 553059514 /nfs/dbraw/zinc/05/95/14/553059514.db2.gz DWXMOBIXYGSYOL-UHFFFAOYSA-N 1 0 386.945 2.818 50 0 GFAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000237529096 553078982 /nfs/dbraw/zinc/07/89/82/553078982.db2.gz JHEZJMHQFSVDED-FZMZJTMJSA-N 1 0 377.286 2.895 50 0 GFAARO COCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(Cl)s2)C1 ZINC000670473319 565724094 /nfs/dbraw/zinc/72/40/94/565724094.db2.gz OSNSDYFREOMTSS-SNVBAGLBSA-N 1 0 387.354 2.692 50 0 GFAARO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000652383156 565927557 /nfs/dbraw/zinc/92/75/57/565927557.db2.gz BLNLQIDEWVEPPW-WOPDTQHZSA-N 1 0 398.472 2.816 50 0 GFAARO COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000019741559 570212694 /nfs/dbraw/zinc/21/26/94/570212694.db2.gz ASEWWYIGZIOFIL-OAHLLOKOSA-N 1 0 386.448 2.797 50 0 GFAARO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047894109 570216625 /nfs/dbraw/zinc/21/66/25/570216625.db2.gz QYHFEPVLBGYTQM-OALUTQOASA-N 1 0 385.552 2.989 50 0 GFAARO O=C(C[NH+]1CCCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000096164498 570217882 /nfs/dbraw/zinc/21/78/82/570217882.db2.gz DJKCKNIYAHPUDN-NRFANRHFSA-N 1 0 395.547 2.870 50 0 GFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000096166965 570218421 /nfs/dbraw/zinc/21/84/21/570218421.db2.gz CVFBJSLWBNTZFC-OAQYLSRUSA-N 1 0 393.531 2.967 50 0 GFAARO Cc1ncc2c(c1-c1noc(C3CC[NH+](C)CC3)n1)CCN(c1cnccn1)C2 ZINC000019853851 570225548 /nfs/dbraw/zinc/22/55/48/570225548.db2.gz QUMMQRSHQFHKEE-UHFFFAOYSA-N 1 0 391.479 2.602 50 0 GFAARO C[NH+](C)CCCN1CN=C2N[C@@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101271 570239298 /nfs/dbraw/zinc/23/92/98/570239298.db2.gz IABDOQOBOHHPEU-HXUWFJFHSA-N 1 0 389.507 2.531 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccc2OCC)C3)CC1 ZINC000015779565 570243543 /nfs/dbraw/zinc/24/35/43/570243543.db2.gz WXWZMAWGIPHORG-UHFFFAOYSA-N 1 0 395.551 2.966 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000085671718 570252032 /nfs/dbraw/zinc/25/20/32/570252032.db2.gz RTCZHUARHDUCEZ-MRXNPFEDSA-N 1 0 387.553 2.900 50 0 GFAARO CCC[NH+]1CCC2(CCN(C(=O)c3cccnc3SC)C[C@H]2CO)CC1 ZINC000097815511 570256924 /nfs/dbraw/zinc/25/69/24/570256924.db2.gz OIDSIBJZGJIRRD-INIZCTEOSA-N 1 0 377.554 2.750 50 0 GFAARO C[NH+]1CCN(Cc2cccc(-c3nc(Cc4cccc(F)c4)cc(=O)[nH]3)c2)CC1 ZINC000020998413 570286843 /nfs/dbraw/zinc/28/68/43/570286843.db2.gz YPFUUUNQSKFYCN-UHFFFAOYSA-N 1 0 392.478 2.914 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000022190538 570306873 /nfs/dbraw/zinc/30/68/73/570306873.db2.gz FVRYLUVGDJQGTR-QGZVFWFLSA-N 1 0 395.503 2.959 50 0 GFAARO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016026261 570309730 /nfs/dbraw/zinc/30/97/30/570309730.db2.gz RAWOHIWYAHGABO-LZFQIVBZSA-N 1 0 377.444 2.966 50 0 GFAARO C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022788338 570327783 /nfs/dbraw/zinc/32/77/83/570327783.db2.gz VCMKOKXBIDEGJZ-WIYYLYMNSA-N 1 0 381.520 2.641 50 0 GFAARO COc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 ZINC000022789479 570327814 /nfs/dbraw/zinc/32/78/14/570327814.db2.gz QQNJOTIYXHBNHG-FQEVSTJZSA-N 1 0 384.476 2.630 50 0 GFAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000022807177 570329635 /nfs/dbraw/zinc/32/96/35/570329635.db2.gz MVLWRXSTOVSCGJ-UHFFFAOYSA-N 1 0 395.503 2.994 50 0 GFAARO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CCc1ccccc1 ZINC000022913302 570334016 /nfs/dbraw/zinc/33/40/16/570334016.db2.gz AXBDCKZDHSAWQZ-QFIPXVFZSA-N 1 0 390.531 2.984 50 0 GFAARO COc1ccc(C[NH2+]CC2=NO[C@@H](Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000035327615 570341925 /nfs/dbraw/zinc/34/19/25/570341925.db2.gz CVFBJRSNXBLNBR-SFHVURJKSA-N 1 0 384.432 2.910 50 0 GFAARO CCn1ccnc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000023374841 570358269 /nfs/dbraw/zinc/35/82/69/570358269.db2.gz GBRASSKOXNFZQF-LJQANCHMSA-N 1 0 383.540 2.698 50 0 GFAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]CCc1cccc(Cl)c1 ZINC000023731644 570370342 /nfs/dbraw/zinc/37/03/42/570370342.db2.gz SRQLEMOCNMABTE-KRWDZBQOSA-N 1 0 381.929 2.845 50 0 GFAARO O=C(CN1CCCCCC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023957373 570375816 /nfs/dbraw/zinc/37/58/16/570375816.db2.gz TUHRFXKMLBGYOI-UHFFFAOYSA-N 1 0 379.504 2.887 50 0 GFAARO C[C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)[C@@H]1C[NH3+] ZINC000237654762 570388207 /nfs/dbraw/zinc/38/82/07/570388207.db2.gz CKJOTKLGBKGPJD-OXJNMPFZSA-N 1 0 386.517 2.860 50 0 GFAARO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)C[C@H](C)O1 ZINC000237762613 570395329 /nfs/dbraw/zinc/39/53/29/570395329.db2.gz ZUASCHWZXLNWRL-IRXDYDNUSA-N 1 0 378.476 2.874 50 0 GFAARO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)C[C@H](C)O1 ZINC000237762580 570395338 /nfs/dbraw/zinc/39/53/38/570395338.db2.gz ZUASCHWZXLNWRL-CALCHBBNSA-N 1 0 378.476 2.874 50 0 GFAARO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccc(F)cc1 ZINC000025359569 570412166 /nfs/dbraw/zinc/41/21/66/570412166.db2.gz YGBBPXKWYFSDNF-HXUWFJFHSA-N 1 0 383.467 2.741 50 0 GFAARO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025359581 570412180 /nfs/dbraw/zinc/41/21/80/570412180.db2.gz UPPZBKUTCHTHHC-FQEVSTJZSA-N 1 0 395.503 2.611 50 0 GFAARO Cc1nn(C)c2nc(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000025432650 570413762 /nfs/dbraw/zinc/41/37/62/570413762.db2.gz HDPXZGMZIPADCF-UHFFFAOYSA-N 1 0 377.492 2.980 50 0 GFAARO Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000013002710 570414335 /nfs/dbraw/zinc/41/43/35/570414335.db2.gz GPYBPMSJDRIDKY-HXUWFJFHSA-N 1 0 390.487 2.658 50 0 GFAARO COc1ccc([C@@H](CNC(=O)c2ccc3n[nH]nc3c2)[NH+]2CCCCC2)cc1 ZINC000027667943 570439667 /nfs/dbraw/zinc/43/96/67/570439667.db2.gz CPTDDUAGBLDPAO-HXUWFJFHSA-N 1 0 379.464 2.924 50 0 GFAARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011898786 570444300 /nfs/dbraw/zinc/44/43/00/570444300.db2.gz NRHNZRGLZOABST-FQEVSTJZSA-N 1 0 398.507 2.706 50 0 GFAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(O)(c2cccnc2)CC1 ZINC000223296462 570456587 /nfs/dbraw/zinc/45/65/87/570456587.db2.gz WFZOCKVSUWHQDT-OAQYLSRUSA-N 1 0 379.504 2.946 50 0 GFAARO CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000249687251 570471811 /nfs/dbraw/zinc/47/18/11/570471811.db2.gz RHCOJJPJUSANIK-PBHICJAKSA-N 1 0 378.542 2.790 50 0 GFAARO O=C(CNC(=O)c1cccc(Cl)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840044 570481264 /nfs/dbraw/zinc/48/12/64/570481264.db2.gz DAQLOJCKQLMQKN-UHFFFAOYSA-N 1 0 385.895 2.634 50 0 GFAARO Cc1cccc(OCC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000030000134 570483800 /nfs/dbraw/zinc/48/38/00/570483800.db2.gz QKQZKGLLWRYZEV-JOCHJYFZSA-N 1 0 381.520 2.869 50 0 GFAARO C[NH+]1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc(F)cc2)CC1 ZINC000022794583 570548066 /nfs/dbraw/zinc/54/80/66/570548066.db2.gz IXBBLPBGIZUDAG-SFHVURJKSA-N 1 0 377.410 2.822 50 0 GFAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012410021 570655736 /nfs/dbraw/zinc/65/57/36/570655736.db2.gz LFCGHACAQHWVCF-CYBMUJFWSA-N 1 0 385.430 2.762 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000012449391 570668202 /nfs/dbraw/zinc/66/82/02/570668202.db2.gz UAMKDVQJDVRKDC-SFHVURJKSA-N 1 0 382.508 2.667 50 0 GFAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]Cc1ccc(F)cc1 ZINC000012458951 570670127 /nfs/dbraw/zinc/67/01/27/570670127.db2.gz FWSXONFXNUJWCE-FQEVSTJZSA-N 1 0 378.394 2.747 50 0 GFAARO OC1CCN([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2O)CC1 ZINC000012597007 570689715 /nfs/dbraw/zinc/68/97/15/570689715.db2.gz QRZPLYGJIJECIF-NHCUHLMSSA-N 1 0 380.488 2.978 50 0 GFAARO CN(C(=O)c1ccc2c(c1)no[n+]2[O-])[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012764214 570711172 /nfs/dbraw/zinc/71/11/72/570711172.db2.gz DXJDSVIQXQJVAA-IBGZPJMESA-N 1 0 394.475 2.630 50 0 GFAARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000895895 570722117 /nfs/dbraw/zinc/72/21/17/570722117.db2.gz YURYIHUWULIMBM-HXUWFJFHSA-N 1 0 388.533 2.955 50 0 GFAARO Cc1nc(-c2cccnc2SCC(=O)NCC[N@H+]2CCCC[C@H]2C)no1 ZINC000065211185 570730855 /nfs/dbraw/zinc/73/08/55/570730855.db2.gz KJGRHGFETLJKFR-CYBMUJFWSA-N 1 0 375.498 2.523 50 0 GFAARO C[C@H](C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1)[NH+]1CCN(C)CC1 ZINC000065387791 570764433 /nfs/dbraw/zinc/76/44/33/570764433.db2.gz PYWWAYAXEGRYJV-OAHLLOKOSA-N 1 0 379.932 2.917 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000018120476 570802784 /nfs/dbraw/zinc/80/27/84/570802784.db2.gz FVKQFELKGIGCNI-ZFCANOHDSA-N 1 0 389.883 2.517 50 0 GFAARO O=C(NCCC[NH+]1CC=CC1)c1ccc(Cl)cc1I ZINC000101449024 570823528 /nfs/dbraw/zinc/82/35/28/570823528.db2.gz FLTNJCRHRMYVDN-UHFFFAOYSA-N 1 0 390.652 2.936 50 0 GFAARO CC1CC[NH+](Cc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[nH]c3n2)CC1 ZINC000101795834 570833996 /nfs/dbraw/zinc/83/39/96/570833996.db2.gz CJCROFGTOCVTHD-UHFFFAOYSA-N 1 0 386.887 2.915 50 0 GFAARO CCc1ccc(CNc2nn3c(nc(C[NH+]4CCC(C)CC4)cc3=O)[nH]2)cc1 ZINC000101796940 570834817 /nfs/dbraw/zinc/83/48/17/570834817.db2.gz KXCZGCJGJICXED-UHFFFAOYSA-N 1 0 380.496 2.824 50 0 GFAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2)CC1 ZINC000012535855 570836224 /nfs/dbraw/zinc/83/62/24/570836224.db2.gz DHTBOVWBTMZEQG-MRXNPFEDSA-N 1 0 389.544 2.562 50 0 GFAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014535291 570848205 /nfs/dbraw/zinc/84/82/05/570848205.db2.gz XCRQMDZSESSQAZ-GOSISDBHSA-N 1 0 381.524 2.961 50 0 GFAARO CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C2CC[NH+](C)CC2)CC1=O ZINC000014744589 570858332 /nfs/dbraw/zinc/85/83/32/570858332.db2.gz UEJAEABRGAHIIF-FQEVSTJZSA-N 1 0 391.531 2.605 50 0 GFAARO CC(C)n1nnc(-c2ccc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC000170613727 570870956 /nfs/dbraw/zinc/87/09/56/570870956.db2.gz STNZFIIMNWEGQU-MOPGFXCFSA-N 1 0 382.512 2.915 50 0 GFAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@@H](C)CO ZINC000015068369 570876179 /nfs/dbraw/zinc/87/61/79/570876179.db2.gz MRYMFZILWUJVIL-ZDUSSCGKSA-N 1 0 386.477 2.643 50 0 GFAARO CCc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)o1 ZINC000015071734 570877411 /nfs/dbraw/zinc/87/74/11/570877411.db2.gz HUZLWCBXDRWMDR-FGZHOGPDSA-N 1 0 387.499 2.739 50 0 GFAARO CCc1cccc(NC(=O)N2CCCN([C@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097112887 570895976 /nfs/dbraw/zinc/89/59/76/570895976.db2.gz SDZKIIJUQQJKAT-FQEVSTJZSA-N 1 0 384.524 2.800 50 0 GFAARO CO[C@]12CC[N@H+](Cc3csc(C(C)=O)c3)[C@H]1C[C@H](NC(=O)C1CC1)CC2 ZINC000534578998 570902724 /nfs/dbraw/zinc/90/27/24/570902724.db2.gz CBMFDCHNOITTLM-IMFGXOCKSA-N 1 0 376.522 2.989 50 0 GFAARO Cc1ccsc1[C@H](CNC(=O)Nc1ccc2c(c1)OCC(=O)N2C)[NH+](C)C ZINC000534631820 570910511 /nfs/dbraw/zinc/91/05/11/570910511.db2.gz JYFHLIOEGRLHNM-HNNXBMFYSA-N 1 0 388.493 2.836 50 0 GFAARO CO[C@]12CC[N@H+](CCc3ccccc3)[C@H]1C[C@H](NC(=O)c1cc(C)on1)CC2 ZINC000534651820 570914268 /nfs/dbraw/zinc/91/42/68/570914268.db2.gz AOZHWBFFRSHLDG-KAGYGMCKSA-N 1 0 383.492 2.968 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cccc(OC)c4)C3=O)c2c1 ZINC000018223030 570952228 /nfs/dbraw/zinc/95/22/28/570952228.db2.gz LNPGETLWPJAHAS-FQEVSTJZSA-N 1 0 393.443 2.649 50 0 GFAARO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cc(C)nc(N(C)C)n2)C1 ZINC000252478671 570966631 /nfs/dbraw/zinc/96/66/31/570966631.db2.gz ARVPFJDTDHEAKF-OAHLLOKOSA-N 1 0 375.904 2.882 50 0 GFAARO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nn1-c1ccc(F)cc1 ZINC000107540580 570974540 /nfs/dbraw/zinc/97/45/40/570974540.db2.gz YFIJUFWETLVVKV-OALUTQOASA-N 1 0 379.439 2.890 50 0 GFAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000083877667 570974611 /nfs/dbraw/zinc/97/46/11/570974611.db2.gz VOXBKUADOWZSBH-KRWDZBQOSA-N 1 0 394.523 2.838 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ncccn2)CC1)CC(C)C ZINC000045537898 570992524 /nfs/dbraw/zinc/99/25/24/570992524.db2.gz HZOHEJLJNCATEO-SFHVURJKSA-N 1 0 376.549 2.501 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCCC2)C[C@@H]1CO ZINC000091391245 571006198 /nfs/dbraw/zinc/00/61/98/571006198.db2.gz QRETXXOVFCVGDK-WOJBJXKFSA-N 1 0 388.552 2.534 50 0 GFAARO Cc1cc(Oc2ccc(C(=O)NCCN3CC[NH2+]CC3)cn2)ccc1C(C)C ZINC000170676523 571008476 /nfs/dbraw/zinc/00/84/76/571008476.db2.gz XOJOXUCZESSFAZ-UHFFFAOYSA-N 1 0 382.508 2.941 50 0 GFAARO C[N@@H+](Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000091594811 571016693 /nfs/dbraw/zinc/01/66/93/571016693.db2.gz HKCGVLRKEJTMJX-INIZCTEOSA-N 1 0 390.487 2.585 50 0 GFAARO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)CC2 ZINC000091593479 571016810 /nfs/dbraw/zinc/01/68/10/571016810.db2.gz PHQWRKXKUNCDSY-RTWAWAEBSA-N 1 0 386.536 2.645 50 0 GFAARO CNc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)ccn1 ZINC000091624827 571018832 /nfs/dbraw/zinc/01/88/32/571018832.db2.gz AUJISBZCQQZXHX-UHFFFAOYSA-N 1 0 382.512 2.788 50 0 GFAARO CCN(CC[NH+]1CCCC1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091679463 571025658 /nfs/dbraw/zinc/02/56/58/571025658.db2.gz VYXUBZLNQOPIBA-UHFFFAOYSA-N 1 0 387.436 2.540 50 0 GFAARO Cc1ccc2c(=O)cc(C(=O)N3CCN(CCc4ccncc4)CC3)oc2c1C ZINC000095099719 571049694 /nfs/dbraw/zinc/04/96/94/571049694.db2.gz XSHPIXOCPHXLLO-UHFFFAOYSA-N 1 0 391.471 2.805 50 0 GFAARO CCCc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)o1 ZINC000095352195 571050215 /nfs/dbraw/zinc/05/02/15/571050215.db2.gz PAGMECZHVADGKG-DYESRHJHSA-N 1 0 375.513 2.707 50 0 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ZINC000095370441 571060799 /nfs/dbraw/zinc/06/07/99/571060799.db2.gz DWZAYABGMAZJHT-GOSISDBHSA-N 1 0 380.496 2.838 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(CO)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095373989 571062732 /nfs/dbraw/zinc/06/27/32/571062732.db2.gz VYNYYLSFQWLKAQ-YTFSRNRJSA-N 1 0 392.499 2.890 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000095376827 571064679 /nfs/dbraw/zinc/06/46/79/571064679.db2.gz GQOMCZDBKXOQNE-UHFFFAOYSA-N 1 0 377.439 2.528 50 0 GFAARO CN(CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2)Cc1cccnc1 ZINC000095377191 571065078 /nfs/dbraw/zinc/06/50/78/571065078.db2.gz VGIWKMBGSAKMMP-RBBKRZOGSA-N 1 0 396.510 2.776 50 0 GFAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095377006 571065209 /nfs/dbraw/zinc/06/52/09/571065209.db2.gz YGYCUKACOXFUJJ-DOTOQJQBSA-N 1 0 383.448 2.757 50 0 GFAARO O=C(NCc1csc(-c2ncccn2)n1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095384637 571069521 /nfs/dbraw/zinc/06/95/21/571069521.db2.gz FIUNTNIVKDLCLR-INIZCTEOSA-N 1 0 379.489 2.997 50 0 GFAARO O=C(C[NH+]1CCCCCC1)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000095508739 571080310 /nfs/dbraw/zinc/08/03/10/571080310.db2.gz KQWCAQKRADQVFC-UHFFFAOYSA-N 1 0 381.524 2.908 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095508806 571080313 /nfs/dbraw/zinc/08/03/13/571080313.db2.gz LKTKCOGCWNASIQ-AWEZNQCLSA-N 1 0 377.439 2.528 50 0 GFAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](Cc3snnc3C(C)C)C[C@H]21 ZINC000095519422 571085981 /nfs/dbraw/zinc/08/59/81/571085981.db2.gz OYYOEJHRIJPMSJ-DNVCBOLYSA-N 1 0 375.494 2.641 50 0 GFAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cc(=O)cc(C)o2)cc1 ZINC000095528845 571091978 /nfs/dbraw/zinc/09/19/78/571091978.db2.gz COHVFLFNLRSYQJ-UHFFFAOYSA-N 1 0 398.503 2.984 50 0 GFAARO Cc1c(CC(=O)N2CCC[NH2+]CC2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095529919 571092280 /nfs/dbraw/zinc/09/22/80/571092280.db2.gz GQFQPDBTBMMTIW-UHFFFAOYSA-N 1 0 379.504 2.728 50 0 GFAARO 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231241117 /nfs/dbraw/zinc/24/11/17/231241117.db2.gz HCTFMUFNZOMYOL-INIZCTEOSA-N 1 0 386.467 2.935 50 0 GFAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1csc(-c2cccs2)n1 ZINC000426740405 231256810 /nfs/dbraw/zinc/25/68/10/231256810.db2.gz HQODJIYPWXVNRV-ZDUSSCGKSA-N 1 0 387.534 2.852 50 0 GFAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000426584695 529640318 /nfs/dbraw/zinc/64/03/18/529640318.db2.gz MGRKFSBDUAOYGA-FQEVSTJZSA-N 1 0 383.540 2.589 50 0 GFAARO CN(Cc1nc2ccccc2n1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426374420 530023426 /nfs/dbraw/zinc/02/34/26/530023426.db2.gz SOFGJKMHMGNSSU-SFHVURJKSA-N 1 0 377.492 2.989 50 0 GFAARO CC[NH+](CC)CCNC(=O)C[S@](=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000004035724 204024421 /nfs/dbraw/zinc/02/44/21/204024421.db2.gz FZEMBKBXIUMMGG-MHZLTWQESA-N 1 0 391.537 2.665 50 0 GFAARO O=c1[nH]c2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004215426 204032861 /nfs/dbraw/zinc/03/28/61/204032861.db2.gz FXZJKVODWNYPKK-UHFFFAOYSA-N 1 0 398.894 2.556 50 0 in-man GFAARO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703430 204066590 /nfs/dbraw/zinc/06/65/90/204066590.db2.gz DCFBQNBMBAMSMO-UHFFFAOYSA-N 1 0 399.560 2.970 50 0 GFAARO O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000004539416 204050782 /nfs/dbraw/zinc/05/07/82/204050782.db2.gz MGPNNRVETJVOFD-GOWZHPGHSA-N 1 0 382.460 2.601 50 0 GFAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000004580422 204054247 /nfs/dbraw/zinc/05/42/47/204054247.db2.gz HNSNKMPSOKDMRK-WEBQWQACSA-N 1 0 397.434 2.785 50 0 GFAARO C[N@H+](C1CCCC1)C1CCN(C(=O)CNC(=O)/C=C/c2ccccc2F)CC1 ZINC000004688766 204064329 /nfs/dbraw/zinc/06/43/29/204064329.db2.gz CCKMRIJCBHNRBR-ZHACJKMWSA-N 1 0 387.499 2.821 50 0 GFAARO CC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000005423845 204131439 /nfs/dbraw/zinc/13/14/39/204131439.db2.gz ZOSPMJLHZSXAQH-HXUWFJFHSA-N 1 0 375.428 2.835 50 0 GFAARO CCCOC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](CCC)CCC)cc1 ZINC000005591209 204141538 /nfs/dbraw/zinc/14/15/38/204141538.db2.gz PEQJHSUKQPMXDP-UHFFFAOYSA-N 1 0 391.512 2.820 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782454 204205148 /nfs/dbraw/zinc/20/51/48/204205148.db2.gz PMKJKWKDGBZCCA-MRXNPFEDSA-N 1 0 398.482 2.774 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c1 ZINC000006471466 204179478 /nfs/dbraw/zinc/17/94/78/204179478.db2.gz PRWMILIKOBRSJC-UHFFFAOYSA-N 1 0 389.521 2.786 50 0 GFAARO CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OCC ZINC000007541512 204243040 /nfs/dbraw/zinc/24/30/40/204243040.db2.gz UJLBEUIXPRVBCN-UHFFFAOYSA-N 1 0 385.921 2.933 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000007684725 204246437 /nfs/dbraw/zinc/24/64/37/204246437.db2.gz ZZVXOFBJMCXHSO-LJQANCHMSA-N 1 0 378.476 2.529 50 0 GFAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000008373801 204274391 /nfs/dbraw/zinc/27/43/91/204274391.db2.gz QSDUEVAZAQQYTH-LJQANCHMSA-N 1 0 378.428 2.996 50 0 GFAARO Cc1nc2cc(OCc3cc(C(=O)N4CC[C@@H]([NH+](C)C)C4)no3)ccc2s1 ZINC000011873415 204360044 /nfs/dbraw/zinc/36/00/44/204360044.db2.gz WRUXLMQTRJSOSC-CYBMUJFWSA-N 1 0 386.477 2.948 50 0 GFAARO CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000012023337 204367947 /nfs/dbraw/zinc/36/79/47/204367947.db2.gz AWQRCNUVXWHLSI-UHFFFAOYSA-N 1 0 375.517 2.517 50 0 GFAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000012041775 204369330 /nfs/dbraw/zinc/36/93/30/204369330.db2.gz SBUBNZVVEQCRHW-OAHLLOKOSA-N 1 0 399.539 2.624 50 0 GFAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccnc2)cc1OC ZINC000012151906 204377410 /nfs/dbraw/zinc/37/74/10/204377410.db2.gz IJDZWNYPYLARFI-LJQANCHMSA-N 1 0 383.492 2.812 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CCSC)C2)cc1OC ZINC000012204414 204382897 /nfs/dbraw/zinc/38/28/97/204382897.db2.gz UKOYDAVGKJIOAX-KRWDZBQOSA-N 1 0 380.554 2.922 50 0 GFAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301372 204391808 /nfs/dbraw/zinc/39/18/08/204391808.db2.gz PARGLWGCCKKSMH-QGZVFWFLSA-N 1 0 378.480 2.765 50 0 GFAARO CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3nccn3CC)nc2)CC[N@@H+]1C(C)C ZINC000012302739 204391930 /nfs/dbraw/zinc/39/19/30/204391930.db2.gz PQTHPWYUMXITNP-LJQANCHMSA-N 1 0 398.555 2.879 50 0 GFAARO COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012318803 204395730 /nfs/dbraw/zinc/39/57/30/204395730.db2.gz QFPZOOJIYGOKMB-OAQYLSRUSA-N 1 0 399.535 2.948 50 0 GFAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000012308937 204396308 /nfs/dbraw/zinc/39/63/08/204396308.db2.gz LVMUZPASNSLWFL-GOSISDBHSA-N 1 0 382.464 2.981 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000012315267 204396363 /nfs/dbraw/zinc/39/63/63/204396363.db2.gz VZQQSBZGXQJHJT-JOCHJYFZSA-N 1 0 393.531 2.960 50 0 GFAARO COc1ccc(OC)c(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000022932944 204794305 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GFAARO C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3cccc(Cl)c3)n2)CC1 ZINC000040355255 205062650 /nfs/dbraw/zinc/06/26/50/205062650.db2.gz KIUMJXNQDNGFTD-UHFFFAOYSA-N 1 0 378.885 2.873 50 0 GFAARO COCc1nn2c(ncc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040397076 205063437 /nfs/dbraw/zinc/06/34/37/205063437.db2.gz SILIKRSLKHJYCJ-UHFFFAOYSA-N 1 0 395.438 2.558 50 0 GFAARO Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCOCCO)cc1 ZINC000040743619 205071842 /nfs/dbraw/zinc/07/18/42/205071842.db2.gz QFWCKSVPPIJODE-UHFFFAOYSA-N 1 0 392.883 2.764 50 0 GFAARO COC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048324105 205119713 /nfs/dbraw/zinc/11/97/13/205119713.db2.gz LHBJFFORMOETTQ-IBGZPJMESA-N 1 0 388.489 2.589 50 0 GFAARO COCCCN(C(=O)CCC(=O)NC1CCCCCC1)C1CC[NH+](C)CC1 ZINC000055212098 205145972 /nfs/dbraw/zinc/14/59/72/205145972.db2.gz YTIRVOSHJHEPEX-UHFFFAOYSA-N 1 0 381.561 2.565 50 0 GFAARO O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000055673769 205150844 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O=C([C@H]1CC[NH2+]C1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067675841 205253998 /nfs/dbraw/zinc/25/39/98/205253998.db2.gz VBJJXRQANXNJOE-ZDUSSCGKSA-N 1 0 395.484 2.999 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000067742795 205258509 /nfs/dbraw/zinc/25/85/09/205258509.db2.gz KMMIILAWHMDKQW-KSSFIOAISA-N 1 0 388.899 2.607 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CCC[C@H](C[NH3+])C3)nc2)cc1 ZINC000067934627 205267483 /nfs/dbraw/zinc/26/74/83/205267483.db2.gz JTDFYYYONSIEEB-GOSISDBHSA-N 1 0 382.508 2.628 50 0 GFAARO CCc1[nH]nc2c1[C@H](c1ccc(OCC[NH+]3CCCC3)c(OC)c1)CC(=O)N2 ZINC000067974814 205270401 /nfs/dbraw/zinc/27/04/01/205270401.db2.gz CSTANZBKKHIWDH-HNNXBMFYSA-N 1 0 384.480 2.929 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3cscn3)C2=O)cc1 ZINC000067433015 205246704 /nfs/dbraw/zinc/24/67/04/205246704.db2.gz MXIGDDVYSQHOHN-OAQYLSRUSA-N 1 0 387.549 2.952 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000067541806 205248002 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2.746 50 0 GFAARO CN(Cc1ccc(Cl)cc1)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000071754767 205291693 /nfs/dbraw/zinc/29/16/93/205291693.db2.gz MTZSXOYDHLWCSC-AWEZNQCLSA-N 1 0 394.928 2.637 50 0 GFAARO CCCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071753724 205291793 /nfs/dbraw/zinc/29/17/93/205291793.db2.gz UAUBWOUVYVSVIQ-SFHVURJKSA-N 1 0 385.556 2.697 50 0 GFAARO Cc1csc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071761344 205293262 /nfs/dbraw/zinc/29/32/62/205293262.db2.gz NFYAJHMTKBEDMS-KRWDZBQOSA-N 1 0 376.570 2.750 50 0 GFAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759579 205294177 /nfs/dbraw/zinc/29/41/77/205294177.db2.gz YIWWMSBSLPSDMD-FQEVSTJZSA-N 1 0 395.551 2.711 50 0 GFAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000090608971 205275241 /nfs/dbraw/zinc/27/52/41/205275241.db2.gz PJIIKWJVLXTQEP-CYBMUJFWSA-N 1 0 382.473 2.763 50 0 GFAARO COCC1(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000072128408 205306126 /nfs/dbraw/zinc/30/61/26/205306126.db2.gz XDICEBCQCUOBOQ-NJDAHSKKSA-N 1 0 384.520 2.901 50 0 GFAARO Cc1c(C[N@@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072153860 205312636 /nfs/dbraw/zinc/31/26/36/205312636.db2.gz FUCVHXNZMPVBGX-STZQEDGTSA-N 1 0 380.492 2.519 50 0 GFAARO CCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072158386 205313664 /nfs/dbraw/zinc/31/36/64/205313664.db2.gz SPJLNIMXFCUPNT-OAQYLSRUSA-N 1 0 379.504 2.535 50 0 GFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000072165199 205315395 /nfs/dbraw/zinc/31/53/95/205315395.db2.gz LWNBGUUWUIAWHV-SFHVURJKSA-N 1 0 375.476 2.795 50 0 GFAARO COc1cccc(-c2cc(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)on2)c1 ZINC000072438350 205352952 /nfs/dbraw/zinc/35/29/52/205352952.db2.gz FYBLFGZWJTZMQF-UHFFFAOYSA-N 1 0 376.420 2.562 50 0 GFAARO CCN1CC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)OC1=O ZINC000077287658 205358083 /nfs/dbraw/zinc/35/80/83/205358083.db2.gz LTIUNMAKBBYQPX-IBGZPJMESA-N 1 0 385.508 2.874 50 0 GFAARO Cc1c(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000072420133 205347425 /nfs/dbraw/zinc/34/74/25/205347425.db2.gz OWEOKIFIQCMQHH-QGZVFWFLSA-N 1 0 382.508 2.958 50 0 GFAARO Cc1cc(C)n(C)c(=O)c1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072423186 205348689 /nfs/dbraw/zinc/34/86/89/205348689.db2.gz UNGATPQDGMSZFF-HXUWFJFHSA-N 1 0 381.520 2.781 50 0 GFAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000077538086 205365267 /nfs/dbraw/zinc/36/52/67/205365267.db2.gz GSQXJMGFDQIGIJ-UHFFFAOYSA-N 1 0 379.526 2.539 50 0 GFAARO Cc1ncccc1OC1(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)CC[NH2+]CC1 ZINC000077540555 205365565 /nfs/dbraw/zinc/36/55/65/205365565.db2.gz GPFRKVHIXFYHRA-MRXNPFEDSA-N 1 0 399.495 2.761 50 0 GFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1cccc(F)c1 ZINC000079497578 205384559 /nfs/dbraw/zinc/38/45/59/205384559.db2.gz FPSLRRJYIQTCBO-UHFFFAOYSA-N 1 0 388.439 2.850 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000082092022 205384929 /nfs/dbraw/zinc/38/49/29/205384929.db2.gz RLXPLFLBDODVMY-NRFANRHFSA-N 1 0 385.552 2.530 50 0 GFAARO Cc1nn(C)c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000082157071 205388811 /nfs/dbraw/zinc/38/88/11/205388811.db2.gz AHKQTTKGIXLSIG-UHFFFAOYSA-N 1 0 376.545 2.511 50 0 GFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc3c(cc1C)OCO3)CC2 ZINC000091644912 205421903 /nfs/dbraw/zinc/42/19/03/205421903.db2.gz CJCVXXYJQYTSDI-UHFFFAOYSA-N 1 0 388.508 2.965 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccc(O)cc2)C1 ZINC000095530018 205494254 /nfs/dbraw/zinc/49/42/54/205494254.db2.gz XFLXKKINQLRGDJ-LJQANCHMSA-N 1 0 384.524 2.879 50 0 GFAARO CNC(=O)Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000097492406 205590976 /nfs/dbraw/zinc/59/09/76/205590976.db2.gz MBGPRPGRALTMHW-UHFFFAOYSA-N 1 0 380.492 2.893 50 0 GFAARO C[NH2+]C1CCN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)CC1 ZINC000237135823 205671571 /nfs/dbraw/zinc/67/15/71/205671571.db2.gz FRNQUYNFOWUESW-UHFFFAOYSA-N 1 0 377.286 2.767 50 0 GFAARO COc1ccc(CCNC(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225577062 206058644 /nfs/dbraw/zinc/05/86/44/206058644.db2.gz YEXMGCGMLSUSIY-SFHVURJKSA-N 1 0 377.554 2.754 50 0 GFAARO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)C[C@H]1CCn2ccnc2C1 ZINC000225671994 206065257 /nfs/dbraw/zinc/06/52/57/206065257.db2.gz SXFMMNLCEIYSLS-ZDUSSCGKSA-N 1 0 377.286 2.779 50 0 GFAARO CC(C)c1nnc2n1C[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000095957999 206111632 /nfs/dbraw/zinc/11/16/32/206111632.db2.gz WTBZUIVGEGANOP-IBGZPJMESA-N 1 0 381.524 2.745 50 0 GFAARO Cc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527950 206142771 /nfs/dbraw/zinc/14/27/71/206142771.db2.gz DUMMDWSZDNAXRD-WMZOPIPTSA-N 1 0 377.492 2.917 50 0 GFAARO Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000252571035 206144150 /nfs/dbraw/zinc/14/41/50/206144150.db2.gz XPACXQVKCOJMRX-SHTZXODSSA-N 1 0 380.521 2.926 50 0 GFAARO COc1ccc(OC)c(CC(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)c1 ZINC000240886239 206127717 /nfs/dbraw/zinc/12/77/17/206127717.db2.gz IOAHOHUKDRLFFT-UHFFFAOYSA-N 1 0 383.492 2.945 50 0 GFAARO COC(=O)c1ccc(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000245171661 206133527 /nfs/dbraw/zinc/13/35/27/206133527.db2.gz XOTXBXMXIUOWTB-UHFFFAOYSA-N 1 0 376.522 2.811 50 0 GFAARO Fc1ccccc1Cn1nc(C[NH2+]CCN2CCOCC2)c(-c2ccccc2)n1 ZINC000261492485 206182782 /nfs/dbraw/zinc/18/27/82/206182782.db2.gz XZTLMKUZDLOOTD-UHFFFAOYSA-N 1 0 395.482 2.554 50 0 GFAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1ccncc1 ZINC000299767055 206185750 /nfs/dbraw/zinc/18/57/50/206185750.db2.gz BLRZYDKTYMKSJF-XWNPLTJSSA-N 1 0 382.552 2.575 50 0 GFAARO CCCCn1nccc1NC(=O)N1CCCC[C@H]1CC[NH+]1CCN(C)CC1 ZINC000299767024 206185883 /nfs/dbraw/zinc/18/58/83/206185883.db2.gz ANJKIVUMDZUYFJ-SFHVURJKSA-N 1 0 376.549 2.707 50 0 GFAARO c1cncc(CN2CCN(Cc3ccc(OC[C@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000299776826 206188543 /nfs/dbraw/zinc/18/85/43/206188543.db2.gz DJNKDUVZYBQVRO-QFIPXVFZSA-N 1 0 380.536 2.778 50 0 GFAARO CC[C@H]1CN(CC(=O)NCC[C@@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188631 /nfs/dbraw/zinc/18/86/31/206188631.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 1 0 379.932 2.914 50 0 GFAARO Nc1nccnc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057810221 136154023 /nfs/dbraw/zinc/15/40/23/136154023.db2.gz AOQZIORPAOZOJT-UHFFFAOYSA-N 1 0 388.475 2.633 50 0 GFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000063928768 136156486 /nfs/dbraw/zinc/15/64/86/136156486.db2.gz JTKJCJFAMUTESI-UHFFFAOYSA-N 1 0 379.504 2.701 50 0 GFAARO Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)n1 ZINC000095474508 136179527 /nfs/dbraw/zinc/17/95/27/136179527.db2.gz ZALXBUPLKWCELC-SLFFLAALSA-N 1 0 385.556 2.691 50 0 GFAARO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000022298796 136203657 /nfs/dbraw/zinc/20/36/57/136203657.db2.gz NCCCZHSXDKVARM-QGZVFWFLSA-N 1 0 390.867 2.631 50 0 GFAARO CC(=O)Nc1ccccc1NC(=O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000065405080 222127856 /nfs/dbraw/zinc/12/78/56/222127856.db2.gz JDAIJRSJFXRSHL-IBGZPJMESA-N 1 0 380.492 2.838 50 0 GFAARO CC[C@H](CO)[NH+]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000174132468 522207601 /nfs/dbraw/zinc/20/76/01/522207601.db2.gz RWXHQIPMJGODST-RTWAWAEBSA-N 1 0 385.483 2.894 50 0 GFAARO CC(C)C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426392637 527485425 /nfs/dbraw/zinc/48/54/25/527485425.db2.gz ATRLCTSMNPRRQC-QHCPKHFHSA-N 1 0 385.552 2.706 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237082261 553074254 /nfs/dbraw/zinc/07/42/54/553074254.db2.gz SCYXNYFMULZXRV-CYBMUJFWSA-N 1 0 377.286 2.706 50 0 GFAARO O=C(c1cncc(Br)c1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575605369 564700326 /nfs/dbraw/zinc/70/03/26/564700326.db2.gz DUFLKUUOCSPAOW-UHFFFAOYSA-N 1 0 384.343 2.888 50 0 GFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cn3c(n2)SCC3)c1 ZINC000019739784 570212133 /nfs/dbraw/zinc/21/21/33/570212133.db2.gz MBXBWIOUDWXGQI-KRWDZBQOSA-N 1 0 386.521 2.668 50 0 GFAARO COc1ccccc1-n1nc(CCc2ccccc2)nc1C[C@@H]1C[NH2+]CCO1 ZINC000096152252 570215824 /nfs/dbraw/zinc/21/58/24/570215824.db2.gz FVXHRCPODLETJA-GOSISDBHSA-N 1 0 378.476 2.592 50 0 GFAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000019790724 570218961 /nfs/dbraw/zinc/21/89/61/570218961.db2.gz DARFYJFEXIDJBX-SFHVURJKSA-N 1 0 378.513 2.524 50 0 GFAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)cc1 ZINC000019830939 570223224 /nfs/dbraw/zinc/22/32/24/570223224.db2.gz NPNPAVVCZIDHJC-QGZVFWFLSA-N 1 0 386.835 2.591 50 0 GFAARO Cc1nc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CCCn3cccn3)s2)n[nH]1 ZINC000019866623 570226407 /nfs/dbraw/zinc/22/64/07/570226407.db2.gz HFLACYKLOVKHRR-CQSZACIVSA-N 1 0 385.497 2.851 50 0 GFAARO COc1ccc(N2C(=O)C[C@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000000852436 570226796 /nfs/dbraw/zinc/22/67/96/570226796.db2.gz URNKVWVDUBLFNJ-NRFANRHFSA-N 1 0 393.487 2.581 50 0 GFAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)nn3C)nc21 ZINC000011613303 570234710 /nfs/dbraw/zinc/23/47/10/570234710.db2.gz RFLCVQYTJIRCTR-UHFFFAOYSA-N 1 0 387.509 2.864 50 0 GFAARO Cc1nn(C)cc1-c1ccnc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000020109847 570240823 /nfs/dbraw/zinc/24/08/23/570240823.db2.gz SIIAHRGJUNXICA-UHFFFAOYSA-N 1 0 388.519 2.865 50 0 GFAARO CC(C)CC[NH+]1CCC2(CCN(C(=O)Cc3cncs3)C[C@H]2CO)CC1 ZINC000097394053 570242822 /nfs/dbraw/zinc/24/28/22/570242822.db2.gz VVDWUIWEGJROJX-KRWDZBQOSA-N 1 0 379.570 2.655 50 0 GFAARO O=C(CCc1nc2cc(F)ccc2[nH]1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097527842 570245651 /nfs/dbraw/zinc/24/56/51/570245651.db2.gz GWTYYNKADJZSDA-UHFFFAOYSA-N 1 0 376.501 2.674 50 0 GFAARO O=C(c1nc2ccccn2c1CN1CC[NH+](C2CCCC2)CC1)N1CCCC1 ZINC000020450053 570256530 /nfs/dbraw/zinc/25/65/30/570256530.db2.gz IRGQQYJIWKCUGG-UHFFFAOYSA-N 1 0 381.524 2.631 50 0 GFAARO COc1cc(/C=C/CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1O ZINC000105279918 570260541 /nfs/dbraw/zinc/26/05/41/570260541.db2.gz BRQHIQWRUYTWLY-KOXUSJRISA-N 1 0 397.519 2.686 50 0 GFAARO NC(=O)C1(N2CCCCC2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000021297287 570290139 /nfs/dbraw/zinc/29/01/39/570290139.db2.gz AXKPFOAXAHJUAG-UHFFFAOYSA-N 1 0 375.488 2.594 50 0 world GFAARO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1F ZINC000022075780 570305297 /nfs/dbraw/zinc/30/52/97/570305297.db2.gz ZHKRNSIJWVKPMZ-UHFFFAOYSA-N 1 0 382.863 2.738 50 0 GFAARO CCCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1OCC ZINC000022693351 570324834 /nfs/dbraw/zinc/32/48/34/570324834.db2.gz ZORFZBGVJABIAI-GOSISDBHSA-N 1 0 378.513 2.961 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000022793340 570328263 /nfs/dbraw/zinc/32/82/63/570328263.db2.gz FBSFGYUFBHPDHW-OAHLLOKOSA-N 1 0 386.521 2.526 50 0 GFAARO CCOc1ccc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1OC ZINC000000819322 570372582 /nfs/dbraw/zinc/37/25/82/570372582.db2.gz ZCMVXXHRJURGKI-SFHVURJKSA-N 1 0 376.497 2.601 50 0 GFAARO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025359700 570412205 /nfs/dbraw/zinc/41/22/05/570412205.db2.gz YCXULDUFNPMAJQ-LJQANCHMSA-N 1 0 395.503 2.611 50 0 GFAARO CCn1c2ccccc2n(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1=O ZINC000025422065 570413601 /nfs/dbraw/zinc/41/36/01/570413601.db2.gz JDLKNMCIIMRSJC-FQEVSTJZSA-N 1 0 380.492 2.632 50 0 GFAARO COc1cccc(CCC(=O)N(C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000089340082 570446464 /nfs/dbraw/zinc/44/64/64/570446464.db2.gz ZJCHISPPEBNCAY-QFIPXVFZSA-N 1 0 396.531 2.548 50 0 GFAARO CC1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000028067496 570450606 /nfs/dbraw/zinc/45/06/06/570450606.db2.gz PINUIXDRVKCQFS-INIZCTEOSA-N 1 0 377.916 2.931 50 0 GFAARO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000030336485 570488300 /nfs/dbraw/zinc/48/83/00/570488300.db2.gz WWLVIQKQUOVKKC-UHFFFAOYSA-N 1 0 378.469 2.561 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)CC1 ZINC000022794621 570548537 /nfs/dbraw/zinc/54/85/37/570548537.db2.gz CQABVHMYWYQMTD-LJQANCHMSA-N 1 0 377.410 2.822 50 0 GFAARO CC[NH+](CC)CCCNc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl ZINC000005452417 570597859 /nfs/dbraw/zinc/59/78/59/570597859.db2.gz QPENTBXCEDIAHQ-UHFFFAOYSA-N 1 0 388.903 2.916 50 0 GFAARO OCCCNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000041150369 570615514 /nfs/dbraw/zinc/61/55/14/570615514.db2.gz NWYGQTKYDAMFSN-UHFFFAOYSA-N 1 0 377.492 2.746 50 0 GFAARO CC(C)CCn1c2ccccc2nc1CN1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000048488508 570658771 /nfs/dbraw/zinc/65/87/71/570658771.db2.gz XUZDYKCSPRTTPE-UHFFFAOYSA-N 1 0 381.528 2.970 50 0 GFAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)CC1 ZINC000012448314 570667213 /nfs/dbraw/zinc/66/72/13/570667213.db2.gz IUNHCLKUYPJIET-GOSISDBHSA-N 1 0 396.535 2.707 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cnc(C)cn3)C2)cc1 ZINC000012478078 570674239 /nfs/dbraw/zinc/67/42/39/570674239.db2.gz ZNFAEFHPWYGUBV-LJQANCHMSA-N 1 0 382.508 2.820 50 0 GFAARO Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCC[N@@H+](C)CC2)cc1C ZINC000005795111 570691058 /nfs/dbraw/zinc/69/10/58/570691058.db2.gz OQHSJRVCNKJHET-HMMYKYKNSA-N 1 0 381.476 2.831 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)CCCn3c4ccccc4oc3=O)cc2)CC1 ZINC000012633905 570693795 /nfs/dbraw/zinc/69/37/95/570693795.db2.gz VEMLOWPKCXIUGK-UHFFFAOYSA-N 1 0 394.475 2.765 50 0 GFAARO COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCC(C)CC1 ZINC000017246034 570702496 /nfs/dbraw/zinc/70/24/96/570702496.db2.gz VXHVMLXJWHJDFN-UHFFFAOYSA-N 1 0 399.491 2.736 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)Cn2ccc(C)n2)CC1 ZINC000012835620 570723551 /nfs/dbraw/zinc/72/35/51/570723551.db2.gz VIHGFZSBPWEYMF-UHFFFAOYSA-N 1 0 384.524 2.613 50 0 GFAARO CC(C)c1nc(-c2cccnc2SCC(=O)NC2CC[NH+](C)CC2)no1 ZINC000065211364 570730865 /nfs/dbraw/zinc/73/08/65/570730865.db2.gz JLANZXHCKVVSKC-UHFFFAOYSA-N 1 0 375.498 2.558 50 0 GFAARO COc1ccc(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)cc1OC ZINC000065257262 570755799 /nfs/dbraw/zinc/75/57/99/570755799.db2.gz ZZVZJPWMTLSKDW-UHFFFAOYSA-N 1 0 386.496 2.714 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013671033 570770404 /nfs/dbraw/zinc/77/04/04/570770404.db2.gz HSNUSZLBGUYIOU-UHFFFAOYSA-N 1 0 387.505 2.703 50 0 GFAARO COc1ccc(-c2nc3sc4c(ncn(CC[NH+](C)C)c4=O)c3c(C)n2)cc1 ZINC000013725834 570781848 /nfs/dbraw/zinc/78/18/48/570781848.db2.gz RDAMLEOEIHXXND-UHFFFAOYSA-N 1 0 395.488 2.947 50 0 GFAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032776733 570798882 /nfs/dbraw/zinc/79/88/82/570798882.db2.gz MUQICPWMGZHQPU-OAQYLSRUSA-N 1 0 394.519 2.966 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@H](O)CO)cc1F ZINC000014961644 570866579 /nfs/dbraw/zinc/86/65/79/570866579.db2.gz UCRHJBXKMUFLGP-SFHVURJKSA-N 1 0 399.466 2.780 50 0 GFAARO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000014966113 570867345 /nfs/dbraw/zinc/86/73/45/570867345.db2.gz IVZXDWOUSMSWNU-SFHVURJKSA-N 1 0 378.561 2.683 50 0 GFAARO COC(=O)CCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000014981181 570869645 /nfs/dbraw/zinc/86/96/45/570869645.db2.gz NWHPPDLWPNBJOT-KRWDZBQOSA-N 1 0 378.488 2.882 50 0 GFAARO O=C(CCC1CCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000015067316 570876162 /nfs/dbraw/zinc/87/61/62/570876162.db2.gz ATKHAMDDYTVNBQ-SFHVURJKSA-N 1 0 375.557 2.938 50 0 GFAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 ZINC000012607875 570889476 /nfs/dbraw/zinc/88/94/76/570889476.db2.gz YZOOGKYQOQHTDU-FQEVSTJZSA-N 1 0 378.476 2.599 50 0 GFAARO CN(C[C@H]1COc2ccccc2O1)C(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000534587701 570905294 /nfs/dbraw/zinc/90/52/94/570905294.db2.gz VFTZYZVFGGAFPK-SFHVURJKSA-N 1 0 385.464 2.725 50 0 GFAARO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 ZINC000534665454 570919474 /nfs/dbraw/zinc/91/94/74/570919474.db2.gz QVLYZINSNBNPRD-GOSISDBHSA-N 1 0 382.464 2.616 50 0 GFAARO Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2=O ZINC000016599569 570928383 /nfs/dbraw/zinc/92/83/83/570928383.db2.gz XSCZJTOKZUXIPZ-HXUWFJFHSA-N 1 0 393.487 2.790 50 0 GFAARO CC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000046787843 570933946 /nfs/dbraw/zinc/93/39/46/570933946.db2.gz IKDIUADZHXMAGO-AWEZNQCLSA-N 1 0 384.446 2.917 50 0 GFAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000018144059 570951232 /nfs/dbraw/zinc/95/12/32/570951232.db2.gz JZYXCOZMMBSEMN-MRXNPFEDSA-N 1 0 388.851 2.821 50 0 GFAARO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023224697 570987895 /nfs/dbraw/zinc/98/78/95/570987895.db2.gz FTHOVZHSRCDRQV-QFIPXVFZSA-N 1 0 384.520 2.828 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000045184886 570988297 /nfs/dbraw/zinc/98/82/97/570988297.db2.gz PZXUOCGGJDRYJP-HXUWFJFHSA-N 1 0 396.539 2.787 50 0 GFAARO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000108455679 570988974 /nfs/dbraw/zinc/98/89/74/570988974.db2.gz BZHZTMHKFVBXPI-YYWHXJBOSA-N 1 0 379.504 2.945 50 0 GFAARO NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000025912238 570998252 /nfs/dbraw/zinc/99/82/52/570998252.db2.gz PYKQBPPYWWCQHJ-UHFFFAOYSA-N 1 0 386.883 2.590 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(OC)c1 ZINC000012751275 571003615 /nfs/dbraw/zinc/00/36/15/571003615.db2.gz HJCYMJSYPIIALS-IBGZPJMESA-N 1 0 397.475 2.839 50 0 GFAARO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1)N1CCc2ccccc2C1 ZINC000084581973 571024089 /nfs/dbraw/zinc/02/40/89/571024089.db2.gz HCWVULMNRXTJIQ-NRFANRHFSA-N 1 0 383.536 2.686 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(C)c(Cl)c2)C[C@@H]1CO ZINC000091706316 571026821 /nfs/dbraw/zinc/02/68/21/571026821.db2.gz OTTDJPNVFJUFSP-HUUCEWRRSA-N 1 0 389.323 2.561 50 0 GFAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000091794142 571031195 /nfs/dbraw/zinc/03/11/95/571031195.db2.gz PMJYWYILWPUATM-UHFFFAOYSA-N 1 0 376.508 2.634 50 0 GFAARO CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2coc3cc(C)c(Cl)cc23)C[C@@H]1CO ZINC000091914739 571036201 /nfs/dbraw/zinc/03/62/01/571036201.db2.gz KACLOXDWVPUJCS-HZPDHXFCSA-N 1 0 378.900 2.956 50 0 GFAARO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095358683 571053757 /nfs/dbraw/zinc/05/37/57/571053757.db2.gz VRZZDNNGUOKMIU-OXJNMPFZSA-N 1 0 376.504 2.743 50 0 GFAARO CNc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095362309 571056153 /nfs/dbraw/zinc/05/61/53/571056153.db2.gz VTMQWTHNTQCXEC-CEWLAPEOSA-N 1 0 380.467 2.965 50 0 GFAARO COc1ccc([C@@H]2CN(c3cc(C(=O)NC4CC4)ccn3)C[C@H]2[NH+](C)C)cc1 ZINC000095364564 571057578 /nfs/dbraw/zinc/05/75/78/571057578.db2.gz PDITXMQNKWRYBO-VQTJNVASSA-N 1 0 380.492 2.516 50 0 GFAARO Cc1cccnc1CN1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095371423 571061253 /nfs/dbraw/zinc/06/12/53/571061253.db2.gz MQDIDJSYZOMNLR-NRFANRHFSA-N 1 0 378.520 2.815 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)c3ccnc(OC)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095374314 571063373 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COc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1F ZINC000095521754 571087007 /nfs/dbraw/zinc/08/70/07/571087007.db2.gz UMKJPLIDOWKKOB-UHFFFAOYSA-N 1 0 398.482 2.843 50 0 GFAARO COc1ccc(CN(C)Cc2ccon2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095531805 571093240 /nfs/dbraw/zinc/09/32/40/571093240.db2.gz URDKGGABNHFPTN-IBGZPJMESA-N 1 0 389.496 2.541 50 0 GFAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCC(Oc2ccccc2F)CC1 ZINC000426405144 231214653 /nfs/dbraw/zinc/21/46/53/231214653.db2.gz MSBFJPGASUSRNA-MRXNPFEDSA-N 1 0 386.471 2.559 50 0 GFAARO Cc1cc(OC[C@@H](O)CNC(=O)NCC(C)(C)[NH+]2CCCC2)ccc1Cl ZINC000426422033 231219535 /nfs/dbraw/zinc/21/95/35/231219535.db2.gz TYEPLQHPYNNCOA-HNNXBMFYSA-N 1 0 383.920 2.562 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 ZINC000409414436 231203689 /nfs/dbraw/zinc/20/36/89/231203689.db2.gz QSOPFYWXWAZOMQ-GHTZIAJQSA-N 1 0 382.508 2.983 50 0 GFAARO Cn1c(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000426475569 231224884 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COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccncc2)N(CCC[NH+](C)C)C1=O ZINC000005352131 204128752 /nfs/dbraw/zinc/12/87/52/204128752.db2.gz YRLXGNADFATSLV-IBGZPJMESA-N 1 0 393.443 2.694 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006840963 204215516 /nfs/dbraw/zinc/21/55/16/204215516.db2.gz QDCZPBVGLBWVQR-UHFFFAOYSA-N 1 0 390.553 2.955 50 0 GFAARO CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000006595773 204186509 /nfs/dbraw/zinc/18/65/09/204186509.db2.gz AKSHGIDLVZOMDI-OAQYLSRUSA-N 1 0 395.503 2.751 50 0 GFAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000008768166 204290086 /nfs/dbraw/zinc/29/00/86/204290086.db2.gz YOTIDOANGYFEDL-QUCCMNQESA-N 1 0 388.471 2.690 50 0 GFAARO Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000008311522 204271043 /nfs/dbraw/zinc/27/10/43/204271043.db2.gz PRJFNDYIUBANOB-UHFFFAOYSA-N 1 0 391.475 2.659 50 0 GFAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000011666639 204349717 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204393045 /nfs/dbraw/zinc/39/30/45/204393045.db2.gz HRFFORFDBHLUFX-UHFFFAOYSA-N 1 0 384.904 2.809 50 0 GFAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000012315025 204395074 /nfs/dbraw/zinc/39/50/74/204395074.db2.gz JSWGVUIRIZUAPB-INIZCTEOSA-N 1 0 384.480 2.817 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1C ZINC000012330436 204398423 /nfs/dbraw/zinc/39/84/23/204398423.db2.gz PHDNFCOHQQIUEU-SFHVURJKSA-N 1 0 383.496 2.668 50 0 GFAARO Cc1sc2ncn(CCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)c(=O)c2c1C ZINC000012918247 204465825 /nfs/dbraw/zinc/46/58/25/204465825.db2.gz VGEZUKLVYMBMFM-QGZVFWFLSA-N 1 0 398.532 2.884 50 0 GFAARO Cc1cccc2c(=O)n(CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cnc12 ZINC000040118865 204875385 /nfs/dbraw/zinc/87/53/85/204875385.db2.gz LRIWCMQSQHYDJI-IAGOWNOFSA-N 1 0 384.524 2.579 50 0 GFAARO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)[C@H]2CCC[N@@H+](C)C2)C3)n1 ZINC000039393911 205043472 /nfs/dbraw/zinc/04/34/72/205043472.db2.gz AKYRJSNWLNNYOH-ZWKOTPCHSA-N 1 0 380.492 2.522 50 0 GFAARO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000039990572 205046351 /nfs/dbraw/zinc/04/63/51/205046351.db2.gz KKTCGPPUXWMXKE-HNNXBMFYSA-N 1 0 380.920 2.687 50 0 GFAARO O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000040062717 205049139 /nfs/dbraw/zinc/04/91/39/205049139.db2.gz CTFVMPFARLQMKD-OAQYLSRUSA-N 1 0 393.487 2.903 50 0 GFAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC000040107123 205052105 /nfs/dbraw/zinc/05/21/05/205052105.db2.gz XOJXCPQEJKATEJ-LJQANCHMSA-N 1 0 393.531 2.894 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)c1csc(NC(=O)c2c(F)cccc2F)n1 ZINC000040356052 205062677 /nfs/dbraw/zinc/06/26/77/205062677.db2.gz BSFYAVFGGGYTPT-UHFFFAOYSA-N 1 0 394.447 2.889 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355192 205062740 /nfs/dbraw/zinc/06/27/40/205062740.db2.gz QIBJVLDPEHFNOK-CQSZACIVSA-N 1 0 376.457 2.749 50 0 GFAARO Cc1cc(=O)c(C(=O)NCc2cccc(C[NH+](C)C)c2)nn1-c1ccccc1 ZINC000043977832 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O=C(Nc1ccccc1)N1CCC(n2ccnc2-c2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072480889 205354966 /nfs/dbraw/zinc/35/49/66/205354966.db2.gz WFPQYDIHXOOITL-UHFFFAOYSA-N 1 0 391.479 2.719 50 0 GFAARO C[NH+](C)CCCN1CC2(CCN(C(=O)c3cccc4ncccc43)CC2)OC1=O ZINC000077505609 205364098 /nfs/dbraw/zinc/36/40/98/205364098.db2.gz IAOSWXCDODPGGU-UHFFFAOYSA-N 1 0 396.491 2.614 50 0 GFAARO CSc1nccn1-c1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000078998547 205377148 /nfs/dbraw/zinc/37/71/48/205377148.db2.gz FKVUSURZTDKAJQ-SFHVURJKSA-N 1 0 376.551 2.761 50 0 GFAARO O=S(=O)(N[C@H]1CCCC[N@H+](CC2CC2)C1)c1ccc(-c2ccon2)s1 ZINC000082134306 205388542 /nfs/dbraw/zinc/38/85/42/205388542.db2.gz DIXPDFTVGSWEAM-AWEZNQCLSA-N 1 0 381.523 2.946 50 0 GFAARO COc1cc(OC)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(OC)c1 ZINC000104422537 205814408 /nfs/dbraw/zinc/81/44/08/205814408.db2.gz CNDYKVYPBJKCPL-MRXNPFEDSA-N 1 0 380.529 2.627 50 0 GFAARO Cn1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)n1 ZINC000011695508 205868654 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CCCC[N@@H+]1CCn2nc(CNC(=O)Cc3ccc4[nH]c(C)nc4c3)cc2C1 ZINC000426405149 528487325 /nfs/dbraw/zinc/48/73/25/528487325.db2.gz NMFWLNRKTWBNJM-UHFFFAOYSA-N 1 0 380.496 2.542 50 0 GFAARO COc1ccc2nc(C)cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)c2c1 ZINC000095961246 537048103 /nfs/dbraw/zinc/04/81/03/537048103.db2.gz DCTHIINHBFSBBD-UHFFFAOYSA-N 1 0 391.475 2.951 50 0 GFAARO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1ccc(Br)cc1F ZINC000032825317 551131801 /nfs/dbraw/zinc/13/18/01/551131801.db2.gz UUOPTABBSMWNAO-UHFFFAOYSA-N 1 0 387.249 2.756 50 0 GFAARO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000170598022 551635760 /nfs/dbraw/zinc/63/57/60/551635760.db2.gz GIXNPQJZPCEZLB-HNNXBMFYSA-N 1 0 394.357 2.623 50 0 GFAARO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](O)CN2CCCC2=O)C3)cs1 ZINC000180876854 552239098 /nfs/dbraw/zinc/23/90/98/552239098.db2.gz SWYPUOUTPLOUNB-AWEZNQCLSA-N 1 0 377.535 2.521 50 0 GFAARO O=C(CSCc1ccccc1Cl)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000219267670 553054601 /nfs/dbraw/zinc/05/46/01/553054601.db2.gz MJEWKSQUFXDROY-ZWQIFLOQSA-N 1 0 380.941 2.941 50 0 GFAARO CNc1ncc(-c2nc(CCc3ccccc3)nn2C2CC[NH+](C)CC2)cn1 ZINC000096138380 570212634 /nfs/dbraw/zinc/21/26/34/570212634.db2.gz WCOZBGIIASLQSG-UHFFFAOYSA-N 1 0 377.496 2.829 50 0 GFAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000019745096 570213148 /nfs/dbraw/zinc/21/31/48/570213148.db2.gz KQDCLDTYMBCZOH-UHFFFAOYSA-N 1 0 393.491 2.519 50 0 GFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(Cl)cn2C)CC1 ZINC000096151761 570215669 /nfs/dbraw/zinc/21/56/69/570215669.db2.gz HCOWMDZPHXOAFZ-SFHVURJKSA-N 1 0 397.947 2.658 50 0 GFAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000000778705 570222328 /nfs/dbraw/zinc/22/23/28/570222328.db2.gz GPEAABITICTPKB-UHFFFAOYSA-N 1 0 387.505 2.785 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000006046627 570223415 /nfs/dbraw/zinc/22/34/15/570223415.db2.gz URCFBDSLJYUTOM-UHFFFAOYSA-N 1 0 395.569 2.713 50 0 GFAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770363 570239863 /nfs/dbraw/zinc/23/98/63/570239863.db2.gz XLJUJTYVGRUBKP-OAHLLOKOSA-N 1 0 375.542 2.756 50 0 GFAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCC[N@H+](C)Cc2ccccc2)c1C ZINC000085698049 570252812 /nfs/dbraw/zinc/25/28/12/570252812.db2.gz WMTKLYGPXBJTNR-UHFFFAOYSA-N 1 0 385.508 2.989 50 0 GFAARO COc1cc(CN2CC[N@H+](CCc3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000104316409 570256296 /nfs/dbraw/zinc/25/62/96/570256296.db2.gz ANSQCCOWMWJIPI-OAQYLSRUSA-N 1 0 384.520 2.815 50 0 GFAARO CCCCN1C(=O)CC[C@@H](C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccccc1OC ZINC000236772969 570260709 /nfs/dbraw/zinc/26/07/09/570260709.db2.gz DLXWGVRQVUXGBE-NQIIRXRSSA-N 1 0 387.524 2.597 50 0 GFAARO CCc1ccc(CN(C)Cc2cc3n(n2)CCC[N@H+](C[C@H]2CCOC2)C3)nc1 ZINC000107005031 570261347 /nfs/dbraw/zinc/26/13/47/570261347.db2.gz SPDSBWRRBRQCQJ-LJQANCHMSA-N 1 0 383.540 2.715 50 0 GFAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](CC(C)C)CC2 ZINC000020542900 570267186 /nfs/dbraw/zinc/26/71/86/570267186.db2.gz XKTVQZNAVJIKQO-GOSISDBHSA-N 1 0 384.528 2.704 50 0 GFAARO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1 ZINC000049490327 570268095 /nfs/dbraw/zinc/26/80/95/570268095.db2.gz QQLWSTOGXGTOCX-SFHVURJKSA-N 1 0 398.438 2.792 50 0 GFAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020599920 570269603 /nfs/dbraw/zinc/26/96/03/570269603.db2.gz SBXPXZTVNZJMSY-INIZCTEOSA-N 1 0 385.512 2.568 50 0 GFAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000020601471 570270318 /nfs/dbraw/zinc/27/03/18/570270318.db2.gz AKNRIDMNFBHHDR-FQEVSTJZSA-N 1 0 399.539 2.958 50 0 GFAARO CCOC(=O)CCCC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515264 570289114 /nfs/dbraw/zinc/28/91/14/570289114.db2.gz XJRNKEIYSNRCBI-UHFFFAOYSA-N 1 0 375.465 2.942 50 0 GFAARO O=S(=O)(c1ccc(F)cc1)N1CCCN(CCOc2ccc(F)cc2)CC1 ZINC000014180684 570294660 /nfs/dbraw/zinc/29/46/60/570294660.db2.gz PRUDSPWTAWMAKZ-UHFFFAOYSA-N 1 0 396.459 2.740 50 0 GFAARO CCOc1cc(CNCC[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000022075379 570305409 /nfs/dbraw/zinc/30/54/09/570305409.db2.gz KDRWGLORJRHNRY-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO CC[NH+](CC)C[C@@H](O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000002988318 570323688 /nfs/dbraw/zinc/32/36/88/570323688.db2.gz JCSYGSKTMQRGLF-LJQANCHMSA-N 1 0 376.522 2.893 50 0 GFAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1 ZINC000022913547 570334203 /nfs/dbraw/zinc/33/42/03/570334203.db2.gz OOUJGJJERQPVJB-NRFANRHFSA-N 1 0 382.504 2.835 50 0 GFAARO Cn1cc(C2=CCN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC000035403427 570350632 /nfs/dbraw/zinc/35/06/32/570350632.db2.gz FBKPGWFOUVAGCC-UHFFFAOYSA-N 1 0 399.926 2.511 50 0 GFAARO Cc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)cc1 ZINC000023373521 570357861 /nfs/dbraw/zinc/35/78/61/570357861.db2.gz CKRCUWVJZAFVHC-FQEVSTJZSA-N 1 0 378.520 2.951 50 0 GFAARO CCn1ncc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023373575 570357894 /nfs/dbraw/zinc/35/78/94/570357894.db2.gz OPUNMPATZMCDBX-NRFANRHFSA-N 1 0 386.540 2.597 50 0 GFAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033078332 570401428 /nfs/dbraw/zinc/40/14/28/570401428.db2.gz SORNNJOASIJNGI-HNNXBMFYSA-N 1 0 387.553 2.682 50 0 GFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)nn2)CC1 ZINC000243932289 570432793 /nfs/dbraw/zinc/43/27/93/570432793.db2.gz BUIOIEHVWORKDM-FUHIMQAGSA-N 1 0 376.464 2.635 50 0 GFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000027336296 570433401 /nfs/dbraw/zinc/43/34/01/570433401.db2.gz CACUPVZPYYAYRD-SJORKVTESA-N 1 0 385.464 2.678 50 0 GFAARO COc1cccc([C@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000252497893 570442914 /nfs/dbraw/zinc/44/29/14/570442914.db2.gz HBSOGEVIQDQDLJ-IXXBJLTKSA-N 1 0 384.520 2.635 50 0 GFAARO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000029905152 570482406 /nfs/dbraw/zinc/48/24/06/570482406.db2.gz JADBSMLIWLUBGJ-KRWDZBQOSA-N 1 0 387.524 2.993 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000032095572 570508429 /nfs/dbraw/zinc/50/84/29/570508429.db2.gz XHXRQSMUABFFEO-GOSISDBHSA-N 1 0 395.478 2.959 50 0 GFAARO O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCc1c[nH]cn1 ZINC000002970328 570523685 /nfs/dbraw/zinc/52/36/85/570523685.db2.gz FHCGCPPOXRUVPS-UHFFFAOYSA-N 1 0 385.493 2.701 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000032960873 570531580 /nfs/dbraw/zinc/53/15/80/570531580.db2.gz ZFBHNKADFANSTR-BEFAXECRSA-N 1 0 384.480 2.624 50 0 GFAARO O=C(NCCc1ccc2c(c1)OCO2)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000043888390 570542087 /nfs/dbraw/zinc/54/20/87/570542087.db2.gz HEPFLNWNKNBEBM-UHFFFAOYSA-N 1 0 387.505 2.937 50 0 GFAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC(c2cc[nH]n2)CC1 ZINC000190733427 570543947 /nfs/dbraw/zinc/54/39/47/570543947.db2.gz MAOUJDKXWTUBHQ-FQEVSTJZSA-N 1 0 397.523 2.590 50 0 GFAARO Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)no1 ZINC000012434437 570661683 /nfs/dbraw/zinc/66/16/83/570661683.db2.gz IAGGBLQJCXTKCE-INIZCTEOSA-N 1 0 381.480 2.937 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000033039596 570678224 /nfs/dbraw/zinc/67/82/24/570678224.db2.gz ASUFXJXQCUKFNL-UHFFFAOYSA-N 1 0 390.557 2.781 50 0 GFAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000012583593 570684608 /nfs/dbraw/zinc/68/46/08/570684608.db2.gz RUFMQHPTSNUSOZ-IBGZPJMESA-N 1 0 395.503 2.913 50 0 GFAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)s1 ZINC000012590548 570687076 /nfs/dbraw/zinc/68/70/76/570687076.db2.gz DOCCGLSCQCTWIO-QGZVFWFLSA-N 1 0 389.565 2.786 50 0 GFAARO Cc1ccc(N2C[C@@H](NC(=O)NCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004373172 570719526 /nfs/dbraw/zinc/71/95/26/570719526.db2.gz GCNSUMLLYYQHPH-IBGZPJMESA-N 1 0 380.492 2.532 50 0 GFAARO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058268698 570724147 /nfs/dbraw/zinc/72/41/47/570724147.db2.gz WBVINOVQWLEHIM-CQSZACIVSA-N 1 0 387.452 2.775 50 0 GFAARO CCC[NH+]1CCN(CCNc2nnc(-c3nnc(CC)o3)c3ccccc32)CC1 ZINC000065258210 570759834 /nfs/dbraw/zinc/75/98/34/570759834.db2.gz VLBVNHFLEYNRBY-UHFFFAOYSA-N 1 0 395.511 2.682 50 0 GFAARO CCOc1cc(CNCCC[NH+](C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736212 570784095 /nfs/dbraw/zinc/78/40/95/570784095.db2.gz PQGTTYAAPGBNDO-UHFFFAOYSA-N 1 0 396.495 2.895 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2cccs2)CC1 ZINC000033129323 570819993 /nfs/dbraw/zinc/81/99/93/570819993.db2.gz KIBAEQFUWQRPCW-UHFFFAOYSA-N 1 0 387.505 2.858 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000003213686 570838150 /nfs/dbraw/zinc/83/81/50/570838150.db2.gz XQWMLQJWUMJFCO-UHFFFAOYSA-N 1 0 387.455 2.915 50 0 GFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014532606 570847561 /nfs/dbraw/zinc/84/75/61/570847561.db2.gz LAXHRVIMMUPBJM-QGZVFWFLSA-N 1 0 384.499 2.875 50 0 GFAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014543545 570849095 /nfs/dbraw/zinc/84/90/95/570849095.db2.gz RGLDEABHMSVYKK-IBGZPJMESA-N 1 0 395.551 2.956 50 0 GFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014542098 570849123 /nfs/dbraw/zinc/84/91/23/570849123.db2.gz CJXGEUWHIQHCQV-UHFFFAOYSA-N 1 0 393.487 2.864 50 0 GFAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@@]3(C)CCS(=O)(=O)C3)cc2)cc1 ZINC000032850975 570854021 /nfs/dbraw/zinc/85/40/21/570854021.db2.gz JFQDCASWEONYEM-FQEVSTJZSA-N 1 0 388.489 2.614 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014743096 570858473 /nfs/dbraw/zinc/85/84/73/570858473.db2.gz DRYZUZGCBLZQQW-KRWDZBQOSA-N 1 0 382.508 2.795 50 0 GFAARO CC[C@@H](C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1 ZINC000014878838 570863524 /nfs/dbraw/zinc/86/35/24/570863524.db2.gz IFKOVUNNMDCMDF-MRXNPFEDSA-N 1 0 383.540 2.772 50 0 GFAARO COCCn1c2ccc(C)cc2cc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1=O ZINC000015070968 570876890 /nfs/dbraw/zinc/87/68/90/570876890.db2.gz URMOQSPXTXWNGF-LJQANCHMSA-N 1 0 394.471 2.886 50 0 GFAARO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000032900868 570897287 /nfs/dbraw/zinc/89/72/87/570897287.db2.gz JAYVWTVWLVAGBS-RBBKRZOGSA-N 1 0 382.504 2.819 50 0 GFAARO O=C(O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000108156223 570902735 /nfs/dbraw/zinc/90/27/35/570902735.db2.gz IEXBWZNGUJCOKE-FCHUYYIVSA-N 1 0 396.531 2.941 50 0 GFAARO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCN4C(=O)NC5(CCCC5)C4=O)C3)nc2c1 ZINC000089657599 570908200 /nfs/dbraw/zinc/90/82/00/570908200.db2.gz DKNIOLXQCGMASY-MRXNPFEDSA-N 1 0 395.507 2.915 50 0 GFAARO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCN4C(=O)NC5(CCCC5)C4=O)C3)nc2c1 ZINC000089657602 570908384 /nfs/dbraw/zinc/90/83/84/570908384.db2.gz DKNIOLXQCGMASY-INIZCTEOSA-N 1 0 395.507 2.915 50 0 GFAARO Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000089689367 570909799 /nfs/dbraw/zinc/90/97/99/570909799.db2.gz KNNXOVNYLSQPBB-DLBZAZTESA-N 1 0 375.513 2.846 50 0 GFAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2)C1 ZINC000032930089 570943566 /nfs/dbraw/zinc/94/35/66/570943566.db2.gz UKHOGOINPPCKOQ-IBGZPJMESA-N 1 0 393.531 2.894 50 0 GFAARO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C)c1 ZINC000001323443 570958664 /nfs/dbraw/zinc/95/86/64/570958664.db2.gz KWKRIGZKAKCZPZ-ZCNNSNEGSA-N 1 0 382.504 2.633 50 0 GFAARO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000019223964 570964073 /nfs/dbraw/zinc/96/40/73/570964073.db2.gz VUEILZDRGLBRFQ-FQEVSTJZSA-N 1 0 399.535 2.581 50 0 GFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000107345284 570972999 /nfs/dbraw/zinc/97/29/99/570972999.db2.gz MWJQWEJSDQAKFH-VQTJNVASSA-N 1 0 395.503 2.799 50 0 GFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000108343961 570987110 /nfs/dbraw/zinc/98/71/10/570987110.db2.gz FCLZRQJWBSZGNS-OXQOHEQNSA-N 1 0 386.517 2.797 50 0 GFAARO c1cncc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536454 571000361 /nfs/dbraw/zinc/00/03/61/571000361.db2.gz QBCDDSOECNCPCU-OAQYLSRUSA-N 1 0 394.519 2.593 50 0 GFAARO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000170676594 571008547 /nfs/dbraw/zinc/00/85/47/571008547.db2.gz RGZDAGWJKJUUMP-AVRDEDQJSA-N 1 0 381.520 2.639 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C1([NH3+])CC1 ZINC000091586331 571015400 /nfs/dbraw/zinc/01/54/00/571015400.db2.gz SLNDVLLWINXMNE-QGZVFWFLSA-N 1 0 379.508 2.734 50 0 GFAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cc(-c3cccn3C)n[nH]2)C1 ZINC000091644720 571021339 /nfs/dbraw/zinc/02/13/39/571021339.db2.gz GBAJAMKIQWFXBE-KRWDZBQOSA-N 1 0 377.492 2.943 50 0 GFAARO O=c1[nH]c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1 ZINC000084535912 571022128 /nfs/dbraw/zinc/02/21/28/571022128.db2.gz DKCUTMSTLORCMV-KRWDZBQOSA-N 1 0 386.459 2.795 50 0 GFAARO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cn1 ZINC000091663590 571024208 /nfs/dbraw/zinc/02/42/08/571024208.db2.gz DVQSPCLSWDNBLS-UHFFFAOYSA-N 1 0 393.535 2.947 50 0 GFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091694289 571026398 /nfs/dbraw/zinc/02/63/98/571026398.db2.gz VSSHIAFCGUCHJE-HXUWFJFHSA-N 1 0 398.551 2.687 50 0 GFAARO Cc1cc(C)c(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c(=O)[nH]1 ZINC000091893836 571035303 /nfs/dbraw/zinc/03/53/03/571035303.db2.gz VJRCRBPHBZYFNM-UHFFFAOYSA-N 1 0 397.523 2.657 50 0 GFAARO Cc1cccnc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091964875 571037797 /nfs/dbraw/zinc/03/77/97/571037797.db2.gz AKDJCOAWRPYTDM-UHFFFAOYSA-N 1 0 377.496 2.941 50 0 GFAARO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000176103218 571047738 /nfs/dbraw/zinc/04/77/38/571047738.db2.gz KVNFSXHLVLXGCQ-GOSISDBHSA-N 1 0 377.492 2.871 50 0 GFAARO O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(CCc2ccncc2)CC1 ZINC000095099724 571049816 /nfs/dbraw/zinc/04/98/16/571049816.db2.gz HQZLBBMXOGJACM-UHFFFAOYSA-N 1 0 397.862 2.842 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000095353874 571050908 /nfs/dbraw/zinc/05/09/08/571050908.db2.gz RJSHAGVSLYLPJQ-HXUWFJFHSA-N 1 0 382.508 2.545 50 0 GFAARO CCN1CC[C@@]2(CN(C(=O)CCCc3cccs3)CC[N@@H+]2C)CCC1=O ZINC000095353940 571051091 /nfs/dbraw/zinc/05/10/91/571051091.db2.gz PQUSLJHJQHOUQH-HXUWFJFHSA-N 1 0 377.554 2.616 50 0 GFAARO O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095354921 571051573 /nfs/dbraw/zinc/05/15/73/571051573.db2.gz PWQMJTHECUKGPF-LAUBAEHRSA-N 1 0 380.492 2.588 50 0 GFAARO CC(=O)NCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095357996 571053500 /nfs/dbraw/zinc/05/35/00/571053500.db2.gz VDODOUQMJRDTSD-FQEVSTJZSA-N 1 0 383.536 2.773 50 0 GFAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2([NH+]3CCCCC3)CCCCC2)on1 ZINC000095388826 571071569 /nfs/dbraw/zinc/07/15/69/571071569.db2.gz WEUYUAWQGPKHBE-MJGOQNOKSA-N 1 0 375.513 2.846 50 0 GFAARO COCCN1CC[C@]2(CN(Cc3ccc(Cl)s3)CC[N@@H+]2C)CCC1=O ZINC000095390441 571072303 /nfs/dbraw/zinc/07/23/03/571072303.db2.gz DHRBFRIGYGCLHZ-SFHVURJKSA-N 1 0 385.961 2.547 50 0 GFAARO C[N@@H+]1CCCN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095503632 571077618 /nfs/dbraw/zinc/07/76/18/571077618.db2.gz GBCADQYXKBDPLK-UHFFFAOYSA-N 1 0 380.492 2.829 50 0 GFAARO Cc1nc2ccc(C(=O)N3CCCO[C@@H](C[NH+]4CCCCC4)C3)cc2nc1C ZINC000095504581 571077953 /nfs/dbraw/zinc/07/79/53/571077953.db2.gz WKRRQDZXXJVYEN-IBGZPJMESA-N 1 0 382.508 2.964 50 0 GFAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)C1=Cc3ccccc3OC=C1)CC2 ZINC000095521591 571087273 /nfs/dbraw/zinc/08/72/73/571087273.db2.gz GZCXHRVDWIMDPW-UHFFFAOYSA-N 1 0 376.460 2.705 50 0 GFAARO CS(=O)(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)o3)C2)CC1 ZINC000169782011 655143699 /nfs/dbraw/zinc/14/36/99/655143699.db2.gz PZCATHXBEJTWLS-CYBMUJFWSA-N 1 0 391.331 2.536 50 0 GFAARO COc1ccc(C[NH+]2CCC(NC(=O)c3c(C)cc(C)[nH]c3=O)CC2)cc1OC ZINC000252494902 231041982 /nfs/dbraw/zinc/04/19/82/231041982.db2.gz OHQFMWGYADGDNX-UHFFFAOYSA-N 1 0 399.491 2.816 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385.921 2.931 50 0 GFAARO COC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048324107 205119462 /nfs/dbraw/zinc/11/94/62/205119462.db2.gz LHBJFFORMOETTQ-LJQANCHMSA-N 1 0 388.489 2.589 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(N2CCNC2=O)c1)Cc1ccccc1 ZINC000052590992 205132933 /nfs/dbraw/zinc/13/29/33/205132933.db2.gz DYOFHPSUAQLESU-OAQYLSRUSA-N 1 0 394.519 2.899 50 0 GFAARO CCc1nc(C)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)[nH]1 ZINC000055327811 205147081 /nfs/dbraw/zinc/14/70/81/205147081.db2.gz BQJGSMKTNGAARS-LJQANCHMSA-N 1 0 386.540 2.666 50 0 GFAARO C[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000055369511 205147757 /nfs/dbraw/zinc/14/77/57/205147757.db2.gz HQVDYKMRPVPMFY-INIZCTEOSA-N 1 0 384.524 2.596 50 0 GFAARO O=C(NCc1cccc(N2CCOC2=O)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057175174 205154808 /nfs/dbraw/zinc/15/48/08/205154808.db2.gz SOKMVSLYCCJPBZ-FQEVSTJZSA-N 1 0 379.460 2.924 50 0 GFAARO 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Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000067723758 205257000 /nfs/dbraw/zinc/25/70/00/205257000.db2.gz NIEMRSZXDIYIAT-LJQANCHMSA-N 1 0 382.508 2.548 50 0 GFAARO CCN(C(=O)c1cnn2cc(C[NH+](CC)CC)cnc12)[C@H]1CCOC(C)(C)C1 ZINC000067742870 205258482 /nfs/dbraw/zinc/25/84/82/205258482.db2.gz WSYZKYYRROVXPZ-KRWDZBQOSA-N 1 0 387.528 2.991 50 0 GFAARO O=C1N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067789524 205260382 /nfs/dbraw/zinc/26/03/82/205260382.db2.gz OEGRKTJJCYCYIW-NRFANRHFSA-N 1 0 398.894 2.768 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000067834379 205262829 /nfs/dbraw/zinc/26/28/29/205262829.db2.gz KMMIILAWHMDKQW-KDOFPFPSSA-N 1 0 388.899 2.607 50 0 GFAARO COc1ccccc1[C@H]1CNC(=O)c2[nH]c(CC[N@H+](C)C3CCCC3)nc2C1 ZINC000067894583 205266383 /nfs/dbraw/zinc/26/63/83/205266383.db2.gz FCQVTBPLVJAEAI-OAHLLOKOSA-N 1 0 382.508 2.905 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CCC(C[NH3+])CC3)nc2)cc1 ZINC000067879164 205266397 /nfs/dbraw/zinc/26/63/97/205266397.db2.gz XPIACEDJPZTXDY-UHFFFAOYSA-N 1 0 382.508 2.628 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3cccc(F)c3)C2=O)c1 ZINC000067895409 205266506 /nfs/dbraw/zinc/26/65/06/205266506.db2.gz QEMCIRDRNUQBHN-OAQYLSRUSA-N 1 0 390.430 2.617 50 0 GFAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1coc(COc2cccc3cccnc32)n1 ZINC000067983504 205269894 /nfs/dbraw/zinc/26/98/94/205269894.db2.gz FKFQTCLHINOFQH-MRXNPFEDSA-N 1 0 380.448 2.968 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)Cc3cccs3)C2=O)c1 ZINC000067982154 205270252 /nfs/dbraw/zinc/27/02/52/205270252.db2.gz HWAUURASZBATLR-HXUWFJFHSA-N 1 0 392.496 2.881 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccsc3)C2=O)c1 ZINC000067472666 205247920 /nfs/dbraw/zinc/24/79/20/205247920.db2.gz OWWPGILGJJFSBL-LJQANCHMSA-N 1 0 378.469 2.539 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)N2CCC[N@H+](C)CC2)(Cc2ccccc2)C1=O ZINC000071524431 205284867 /nfs/dbraw/zinc/28/48/67/205284867.db2.gz YWVAPTMIJDVLIY-DEOSSOPVSA-N 1 0 391.515 2.698 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC000071639099 205285281 /nfs/dbraw/zinc/28/52/81/205285281.db2.gz VLWQYTCBIAMAPU-LJQANCHMSA-N 1 0 396.535 2.678 50 0 GFAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746002 205287504 /nfs/dbraw/zinc/28/75/04/205287504.db2.gz WFTCGEDGYXGQOL-IBGZPJMESA-N 1 0 386.540 2.591 50 0 GFAARO CN(CCC[NH+](C)C)C(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071715359 205288351 /nfs/dbraw/zinc/28/83/51/205288351.db2.gz GKWCYEQYQKXALS-DEOSSOPVSA-N 1 0 393.531 2.944 50 0 GFAARO C[C@@H](CCN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1)[NH+]1CCCC1 ZINC000072138768 205308704 /nfs/dbraw/zinc/30/87/04/205308704.db2.gz GKLKRTVFYNMRMH-HNNXBMFYSA-N 1 0 375.904 2.926 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CCN2CCCC2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072153128 205313716 /nfs/dbraw/zinc/31/37/16/205313716.db2.gz QNYXCLFQXFDKKF-HXUWFJFHSA-N 1 0 389.515 2.897 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000072154530 205314067 /nfs/dbraw/zinc/31/40/67/205314067.db2.gz ZCOFYWNILHTXAN-LJQANCHMSA-N 1 0 381.524 2.832 50 0 GFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000072165198 205315881 /nfs/dbraw/zinc/31/58/81/205315881.db2.gz LWNBGUUWUIAWHV-GOSISDBHSA-N 1 0 375.476 2.795 50 0 GFAARO CCNC(=O)c1ccnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072173788 205317627 /nfs/dbraw/zinc/31/76/27/205317627.db2.gz DVVXCCPKCAPMJH-KSEOMHKRSA-N 1 0 376.504 2.898 50 0 GFAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000072439260 205353399 /nfs/dbraw/zinc/35/33/99/205353399.db2.gz CYBISUOGNGLMJD-IBGZPJMESA-N 1 0 388.552 2.699 50 0 GFAARO CCSC[C@H]([NH3+])C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072411999 205347976 /nfs/dbraw/zinc/34/79/76/205347976.db2.gz DSBPPTMLUNJWMD-AWEZNQCLSA-N 1 0 376.444 2.596 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000082092024 205386178 /nfs/dbraw/zinc/38/61/78/205386178.db2.gz RLXPLFLBDODVMY-OAQYLSRUSA-N 1 0 385.552 2.530 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cccc2ccnn21 ZINC000082097654 205386444 /nfs/dbraw/zinc/38/64/44/205386444.db2.gz COPYKVUTGCIJNF-UHFFFAOYSA-N 1 0 378.480 2.609 50 0 GFAARO c1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000095363725 205445679 /nfs/dbraw/zinc/44/56/79/205445679.db2.gz DRWAGVXBEBOZGE-IBGZPJMESA-N 1 0 386.459 2.786 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H](C)CO)c1 ZINC000095519581 205485805 /nfs/dbraw/zinc/48/58/05/205485805.db2.gz LYFZSTFNLYAGDR-OAHLLOKOSA-N 1 0 376.497 2.592 50 0 GFAARO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000023468977 205975647 /nfs/dbraw/zinc/97/56/47/205975647.db2.gz RJKQZDYULMEHJZ-UHFFFAOYSA-N 1 0 379.298 2.700 50 0 GFAARO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 ZINC000225468337 206050891 /nfs/dbraw/zinc/05/08/91/206050891.db2.gz GVCYNPSKYIJISA-IBGZPJMESA-N 1 0 384.455 2.909 50 0 GFAARO CCCCOC[C@H](O)C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000225718392 206069408 /nfs/dbraw/zinc/06/94/08/206069408.db2.gz RDTMYQSWXRHQEB-CABCVRRESA-N 1 0 379.419 2.555 50 0 GFAARO Cc1cc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)nc(N(C)C)n1 ZINC000241515629 206126952 /nfs/dbraw/zinc/12/69/52/206126952.db2.gz OGQCGIKKCQCZAY-AWEZNQCLSA-N 1 0 377.439 2.821 50 0 GFAARO COc1cc(CN2CCN(Cc3nc4ccccc4n3C)CC2)cc(OC)c1 ZINC000096835613 206123033 /nfs/dbraw/zinc/12/30/33/206123033.db2.gz ZGNCRIBAHDWYTH-UHFFFAOYSA-N 1 0 380.492 2.908 50 0 GFAARO COc1cc(NC(=O)CC[NH+]2CCN(c3ncccc3C)CC2)cc(OC)c1 ZINC000244678851 206131993 /nfs/dbraw/zinc/13/19/93/206131993.db2.gz ILJKCUMIZJNFTL-UHFFFAOYSA-N 1 0 384.480 2.558 50 0 GFAARO OCCOCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000247739305 206133023 /nfs/dbraw/zinc/13/30/23/206133023.db2.gz MXXLLFFHGWBELO-UHFFFAOYSA-N 1 0 386.883 2.745 50 0 GFAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000299770368 206189272 /nfs/dbraw/zinc/18/92/72/206189272.db2.gz QMTHDPZPVRWEAY-GOSISDBHSA-N 1 0 380.366 2.706 50 0 GFAARO O=C1CO[C@@H](CNc2nc3ccccc3o2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299780027 206189556 /nfs/dbraw/zinc/18/95/56/206189556.db2.gz SLNGXWOEDXXLMN-SFHVURJKSA-N 1 0 398.507 2.589 50 0 GFAARO COC(=O)c1cc(C[NH3+])cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000299792943 206191423 /nfs/dbraw/zinc/19/14/23/206191423.db2.gz GIUSFQQZUOQVMB-UHFFFAOYSA-N 1 0 388.367 2.752 50 0 GFAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2cccc(N3Cc4ccccc4C3)c2)C1 ZINC000299789516 206192183 /nfs/dbraw/zinc/19/21/83/206192183.db2.gz WJGNUUFQZWVMDX-GOSISDBHSA-N 1 0 379.504 2.857 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2snnc2C)CC1 ZINC000011814044 221126056 /nfs/dbraw/zinc/12/60/56/221126056.db2.gz SPYCDNQYKHNHQQ-UHFFFAOYSA-N 1 0 388.537 2.882 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCn2cccn2)C1 ZINC000012094289 221150963 /nfs/dbraw/zinc/15/09/63/221150963.db2.gz KVPDHVBXBPXDMP-LJQANCHMSA-N 1 0 384.524 2.695 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1 ZINC000012125919 221156548 /nfs/dbraw/zinc/15/65/48/221156548.db2.gz LIPLITSNMUDIED-GOSISDBHSA-N 1 0 383.496 2.796 50 0 GFAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCN(c2cnccn2)C1 ZINC000040071340 132394182 /nfs/dbraw/zinc/39/41/82/132394182.db2.gz FHLYRQKBARUEOO-IBGZPJMESA-N 1 0 385.556 2.998 50 0 GFAARO COc1ccccc1N1CC[NH+](CCCC[C@H]2Oc3cccnc3NC2=O)CC1 ZINC000063117800 136156353 /nfs/dbraw/zinc/15/63/53/136156353.db2.gz IYDMXXPIAQQDDS-HXUWFJFHSA-N 1 0 396.491 2.782 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799774 136157746 /nfs/dbraw/zinc/15/77/46/136157746.db2.gz QUGFVHPLIYCVAE-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000091416901 136176293 /nfs/dbraw/zinc/17/62/93/136176293.db2.gz ZAZHUFUDTYOTRD-UHFFFAOYSA-N 1 0 378.480 2.736 50 0 GFAARO COCCCC[NH+]1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1 ZINC000095521504 136181121 /nfs/dbraw/zinc/18/11/21/136181121.db2.gz NMJILLOQODBMCL-UHFFFAOYSA-N 1 0 382.508 2.817 50 0 GFAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000095521588 136181309 /nfs/dbraw/zinc/18/13/09/136181309.db2.gz ALMPRLSOGSVUFP-GOSISDBHSA-N 1 0 377.496 2.875 50 0 GFAARO Cc1cc(N2CCC([NH2+][C@@H](C)c3ncnn3C)CC2)nc(-c2ccccc2)n1 ZINC000096153772 136184670 /nfs/dbraw/zinc/18/46/70/136184670.db2.gz ZDMSSUYNJGJSNR-INIZCTEOSA-N 1 0 377.496 2.900 50 0 GFAARO Cc1cc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc(C)c1Cl ZINC000002674809 136193405 /nfs/dbraw/zinc/19/34/05/136193405.db2.gz QNKKBPVCPAIMBM-KRWDZBQOSA-N 1 0 375.900 2.914 50 0 GFAARO Cc1cc(C)n(C[C@@H](C)NC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)n1 ZINC000426634086 534110525 /nfs/dbraw/zinc/11/05/25/534110525.db2.gz CXGUBTGGCDCSEV-QGZVFWFLSA-N 1 0 384.528 2.589 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](CCCn4cnnn4)C3)C2=O)cc1 ZINC000426551987 528092384 /nfs/dbraw/zinc/09/23/84/528092384.db2.gz NMUVCDZNVLLBNQ-JOCHJYFZSA-N 1 0 396.539 2.701 50 0 GFAARO [NH3+][C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000157988965 551545830 /nfs/dbraw/zinc/54/58/30/551545830.db2.gz PYHKHZSFPXRWLA-GFCCVEGCSA-N 1 0 378.270 2.986 50 0 GFAARO COc1ccc(Cc2nc([C@@H]3C[C@@H](O)C[NH2+]3)n(CCc3ccccc3)n2)cc1 ZINC000096133079 570211959 /nfs/dbraw/zinc/21/19/59/570211959.db2.gz SYXMDQOYEPKVMH-QUCCMNQESA-N 1 0 378.476 2.516 50 0 GFAARO CNc1ncccc1CN1CCC[C@H]1c1ccc(C(=O)NCC[NH+](C)C)s1 ZINC000019771187 570218204 /nfs/dbraw/zinc/21/82/04/570218204.db2.gz LWDSLZRTIZCDAN-INIZCTEOSA-N 1 0 387.553 2.813 50 0 GFAARO CC(=O)c1cccc(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 ZINC000019851023 570225562 /nfs/dbraw/zinc/22/55/62/570225562.db2.gz LJNCMOILJSCOKS-IBGZPJMESA-N 1 0 396.491 2.898 50 0 GFAARO O=C(c1ccsc1)N1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097213263 570238133 /nfs/dbraw/zinc/23/81/33/570238133.db2.gz ZBXNJADDMZQZJB-IBGZPJMESA-N 1 0 385.533 2.880 50 0 GFAARO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000020102790 570239712 /nfs/dbraw/zinc/23/97/12/570239712.db2.gz YJHLXZVFTHXKMS-UHFFFAOYSA-N 1 0 378.900 2.964 50 0 GFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccncc1)C2 ZINC000020385899 570254056 /nfs/dbraw/zinc/25/40/56/570254056.db2.gz HGZCMANJWKGRKB-KRWDZBQOSA-N 1 0 399.564 2.524 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)CC1 ZINC000104414286 570257868 /nfs/dbraw/zinc/25/78/68/570257868.db2.gz GAPQAKLBBWOITG-HXUWFJFHSA-N 1 0 381.511 2.706 50 0 GFAARO COc1ccccc1-n1cc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cn1 ZINC000104398554 570257903 /nfs/dbraw/zinc/25/79/03/570257903.db2.gz VSWIATXBQYNFLY-HXUWFJFHSA-N 1 0 384.524 2.716 50 0 GFAARO CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccn3)CC1)n2C ZINC000020533651 570265883 /nfs/dbraw/zinc/26/58/83/570265883.db2.gz XWSQEGBKGLRTJF-UHFFFAOYSA-N 1 0 392.507 2.682 50 0 GFAARO c1ccc(CNc2ncc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)cn2)cc1 ZINC000215192675 570285966 /nfs/dbraw/zinc/28/59/66/570285966.db2.gz VZYJRWGWWPJZBD-HXUWFJFHSA-N 1 0 381.524 2.633 50 0 GFAARO C[NH+](C)Cc1ccc(CSCCNC(=O)[C@H]2COc3ccccc3O2)o1 ZINC000215488519 570289443 /nfs/dbraw/zinc/28/94/43/570289443.db2.gz XHPNBRDPEAINCK-GOSISDBHSA-N 1 0 376.478 2.531 50 0 GFAARO CC(C)C[C@@H](C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)n1cccc1 ZINC000575442947 570313264 /nfs/dbraw/zinc/31/32/64/570313264.db2.gz DEZCGEZQNPAUQS-NRFANRHFSA-N 1 0 384.524 2.828 50 0 GFAARO CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000022518455 570319729 /nfs/dbraw/zinc/31/97/29/570319729.db2.gz SGLOMXBZFSORIX-IBGZPJMESA-N 1 0 395.503 2.816 50 0 GFAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)nc2sc3c(n21)CCCC3 ZINC000022789330 570327811 /nfs/dbraw/zinc/32/78/11/570327811.db2.gz FRHSUUQQUYHELF-UHFFFAOYSA-N 1 0 394.544 2.953 50 0 GFAARO COc1ccc(CCNC(=O)N2CCC[N@@H+](C3CCSCC3)CC2)cc1 ZINC000575606832 570330191 /nfs/dbraw/zinc/33/01/91/570330191.db2.gz MLPPIGUQXZRGOD-UHFFFAOYSA-N 1 0 377.554 2.851 50 0 GFAARO COc1cc(C[NH2+]CCOc2ccccn2)ccc1OCC(=O)NC(C)(C)C ZINC000113395974 570331028 /nfs/dbraw/zinc/33/10/28/570331028.db2.gz CPHLGBJBAJKCMY-UHFFFAOYSA-N 1 0 387.480 2.552 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000022925935 570336367 /nfs/dbraw/zinc/33/63/67/570336367.db2.gz BNIMRXBFSNUKOA-IBGZPJMESA-N 1 0 381.511 2.706 50 0 GFAARO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1 ZINC000034910458 570340374 /nfs/dbraw/zinc/34/03/74/570340374.db2.gz CCNJQCMOJYAJMP-UHFFFAOYSA-N 1 0 375.476 2.970 50 0 GFAARO CN(C(=O)c1nc(CCc2ccccc2)n(-c2ccccc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000034911678 570341154 /nfs/dbraw/zinc/34/11/54/570341154.db2.gz BABQQYXYUZFGQT-FQEVSTJZSA-N 1 0 389.503 2.829 50 0 GFAARO Cc1ccc(C2=C[C@@H](c3ccccc3)N3NC(N4C(=O)CCC4=O)=NC3=N2)cc1 ZINC000100356761 570354152 /nfs/dbraw/zinc/35/41/52/570354152.db2.gz NHDVAVZCKCCAJY-SFHVURJKSA-N 1 0 385.427 2.772 50 0 GFAARO COc1cc(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)cc(OC)c1OC ZINC000023358534 570356297 /nfs/dbraw/zinc/35/62/97/570356297.db2.gz RVXBOXUSJNJHQC-SFHVURJKSA-N 1 0 378.513 2.547 50 0 GFAARO C[NH+](C)[C@H]1CCN(C(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)C1 ZINC000023380126 570359306 /nfs/dbraw/zinc/35/93/06/570359306.db2.gz VQQHUXPBEWPVRQ-HNNXBMFYSA-N 1 0 396.413 2.774 50 0 GFAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(n4cc([C@@H](C)O)nn4)CC3)c2)n1 ZINC000023619451 570366775 /nfs/dbraw/zinc/36/67/75/570366775.db2.gz VYIXJTAESIUJLZ-QGZVFWFLSA-N 1 0 380.496 2.971 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccsc2)CC1 ZINC000022767003 570376487 /nfs/dbraw/zinc/37/64/87/570376487.db2.gz CRAIQKNCWIRPGY-MRXNPFEDSA-N 1 0 388.493 2.587 50 0 GFAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000024182975 570379985 /nfs/dbraw/zinc/37/99/85/570379985.db2.gz WTGFJUNDQPZIAS-UHFFFAOYSA-N 1 0 375.542 2.678 50 0 GFAARO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000024361537 570382774 /nfs/dbraw/zinc/38/27/74/570382774.db2.gz LXVKKHPILLXGAW-UHFFFAOYSA-N 1 0 388.489 2.548 50 0 GFAARO CC(C)n1ncc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)cnc21 ZINC000069922912 570392318 /nfs/dbraw/zinc/39/23/18/570392318.db2.gz XETNWMFXHOFFCA-MAUKXSAKSA-N 1 0 386.500 2.635 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000032951964 570398711 /nfs/dbraw/zinc/39/87/11/570398711.db2.gz KVDIVECCZGVVRO-INIZCTEOSA-N 1 0 393.553 2.778 50 0 GFAARO COc1cccc(N2C[C@@H](C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2=O)c1 ZINC000025332374 570411512 /nfs/dbraw/zinc/41/15/12/570411512.db2.gz XTQVTWQQDOECBN-MAUKXSAKSA-N 1 0 387.505 2.529 50 0 GFAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000035686210 570417255 /nfs/dbraw/zinc/41/72/55/570417255.db2.gz NNRODKVKUHVARF-GOSISDBHSA-N 1 0 397.471 2.990 50 0 GFAARO CC[NH+]1CCN(C[C@H](O)CN2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)CC1 ZINC000239309068 570429020 /nfs/dbraw/zinc/42/90/20/570429020.db2.gz HFDBNPIDCZKBSN-WMZHIEFXSA-N 1 0 396.579 2.641 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000247947827 570430866 /nfs/dbraw/zinc/43/08/66/570430866.db2.gz PIAKUFKWYZRDCW-RKVPGOIHSA-N 1 0 379.526 2.671 50 0 GFAARO C[N@@H+]1CC[C@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@@H]1c1ccccc1 ZINC000089375138 570447480 /nfs/dbraw/zinc/44/74/80/570447480.db2.gz JOCCCRMUZJUWLX-PXNSSMCTSA-N 1 0 377.448 2.626 50 0 GFAARO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCC(C)CC2)NC(C)=O)cc1 ZINC000028070305 570450638 /nfs/dbraw/zinc/45/06/38/570450638.db2.gz JJUHNJFJGGIUDD-HXUWFJFHSA-N 1 0 375.513 2.501 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000007991326 570451738 /nfs/dbraw/zinc/45/17/38/570451738.db2.gz OAJLQPRPESRYDW-KGLIPLIRSA-N 1 0 381.879 2.823 50 0 GFAARO COc1ccc2[nH]cc(C3=CC[N@H+](CCn4nc5ccccn5c4=O)CC3)c2c1 ZINC000089467045 570453934 /nfs/dbraw/zinc/45/39/34/570453934.db2.gz OMXOSMBCJDGBKV-UHFFFAOYSA-N 1 0 389.459 2.775 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)Cc1ccccc1 ZINC000029917348 570482484 /nfs/dbraw/zinc/48/24/84/570482484.db2.gz VZEKVZRSQVFVGE-FQEVSTJZSA-N 1 0 382.508 2.538 50 0 GFAARO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(COc3ccccn3)CC2)c1 ZINC000072308563 570527486 /nfs/dbraw/zinc/52/74/86/570527486.db2.gz MOWPNGJLGPMGSJ-QGZVFWFLSA-N 1 0 383.492 2.886 50 0 GFAARO CCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)N2CC[NH+](CC)CC2)c1=O ZINC000022696884 570529536 /nfs/dbraw/zinc/52/95/36/570529536.db2.gz ORCVPAPXAHVMQZ-NRFANRHFSA-N 1 0 385.508 2.618 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[NH+]([C@H]2CCCC[C@H]2OC)CC1 ZINC000020228036 570536996 /nfs/dbraw/zinc/53/69/96/570536996.db2.gz DDSPTLXNWPWAQQ-ZWKOTPCHSA-N 1 0 378.513 2.788 50 0 GFAARO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1 ZINC000048435874 570658295 /nfs/dbraw/zinc/65/82/95/570658295.db2.gz BOGHEQKQBKNJNW-IBGZPJMESA-N 1 0 375.476 2.635 50 0 GFAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CCCn3cccn3)CC2)c1 ZINC000012430384 570658519 /nfs/dbraw/zinc/65/85/19/570658519.db2.gz QOSCXCWCTVJRBE-UHFFFAOYSA-N 1 0 398.507 2.717 50 0 GFAARO CCC[NH+]1CCN(C(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031844 570669612 /nfs/dbraw/zinc/66/96/12/570669612.db2.gz OPFUPMNZKBBZOR-UHFFFAOYSA-N 1 0 398.482 2.728 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C[NH+](C)C ZINC000012470672 570672889 /nfs/dbraw/zinc/67/28/89/570672889.db2.gz MYXCJQZYVYHFAT-GOSISDBHSA-N 1 0 381.524 2.804 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CCN1CCCCO1 ZINC000012597670 570690139 /nfs/dbraw/zinc/69/01/39/570690139.db2.gz ZGSKJBZSUAMUEP-HXUWFJFHSA-N 1 0 391.531 2.956 50 0 GFAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012836924 570723438 /nfs/dbraw/zinc/72/34/38/570723438.db2.gz LLYAJYOMNAKFFI-SFHVURJKSA-N 1 0 378.480 2.810 50 0 GFAARO COC(=O)[C@@H]1C[C@@]23CCC[N@@H+]4CC[C@@]5(c6ccccc6N(C(C)=O)[C@]15CC2)[C@@H]43 ZINC000524731672 570766402 /nfs/dbraw/zinc/76/64/02/570766402.db2.gz GWYVXPNMQFBXRS-AZCFJWIISA-N 1 0 380.488 2.871 50 0 GFAARO COc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000032730253 570776717 /nfs/dbraw/zinc/77/67/17/570776717.db2.gz LEXRYNGFDKXHDK-APWZRJJASA-N 1 0 399.466 2.606 50 0 GFAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000170085055 570803904 /nfs/dbraw/zinc/80/39/04/570803904.db2.gz XWFUAFXVIYPJLR-MOPGFXCFSA-N 1 0 390.553 2.946 50 0 GFAARO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC(Cn2cnnn2)CC1 ZINC000583652578 570805490 /nfs/dbraw/zinc/80/54/90/570805490.db2.gz WEURAJRNLFIZQK-UHFFFAOYSA-N 1 0 398.511 2.593 50 0 GFAARO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000033089431 570808904 /nfs/dbraw/zinc/80/89/04/570808904.db2.gz QJDQSMCLXDWWHO-OAQYLSRUSA-N 1 0 396.535 2.888 50 0 GFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCCOC ZINC000014536364 570848470 /nfs/dbraw/zinc/84/84/70/570848470.db2.gz JUSJPSLSIYQKKE-KRWDZBQOSA-N 1 0 388.512 2.515 50 0 GFAARO CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C2CC[NH+](C)CC2)CC1=O ZINC000014537984 570848640 /nfs/dbraw/zinc/84/86/40/570848640.db2.gz HJNUYZMWEDPHDO-NRFANRHFSA-N 1 0 391.531 2.605 50 0 GFAARO CC[N@H+](Cc1ccccc1)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014748929 570858933 /nfs/dbraw/zinc/85/89/33/570858933.db2.gz WOMODPIMCGQYNV-SFHVURJKSA-N 1 0 398.576 2.989 50 0 GFAARO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)c1C ZINC000032870735 570864346 /nfs/dbraw/zinc/86/43/46/570864346.db2.gz DBQSXHMMCKRJCP-UHFFFAOYSA-N 1 0 386.521 2.615 50 0 GFAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c(OC)c1 ZINC000014953113 570865506 /nfs/dbraw/zinc/86/55/06/570865506.db2.gz MTCDSUDLTIGRNP-KRWDZBQOSA-N 1 0 390.524 2.991 50 0 GFAARO CCCn1cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980643 570869082 /nfs/dbraw/zinc/86/90/82/570869082.db2.gz JGCRGMIRQXGZII-GOSISDBHSA-N 1 0 387.572 2.557 50 0 GFAARO O=C1c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000015000922 570870711 /nfs/dbraw/zinc/87/07/11/570870711.db2.gz OTERZWCLUZOQHT-KRWDZBQOSA-N 1 0 383.492 2.526 50 0 GFAARO COc1ccc([C@H](CN2C(=O)[C@H]3Cc4ccccc4CN3C2=O)[NH+](C)C)cc1 ZINC000170613693 570871059 /nfs/dbraw/zinc/87/10/59/570871059.db2.gz USOXKHBRWBJRLW-UXHICEINSA-N 1 0 379.460 2.687 50 0 GFAARO Cc1cc(N)n(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000015065167 570875598 /nfs/dbraw/zinc/87/55/98/570875598.db2.gz QUVXVEAQIAJSGU-FQEVSTJZSA-N 1 0 383.540 2.753 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccsc2)CC1 ZINC000015068536 570876215 /nfs/dbraw/zinc/87/62/15/570876215.db2.gz QSPGBWUCQXVOTL-SFHVURJKSA-N 1 0 377.554 2.981 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ocnc3C)C2)cc1OC ZINC000015069598 570877038 /nfs/dbraw/zinc/87/70/38/570877038.db2.gz PEBRARUCYAXPHE-QGZVFWFLSA-N 1 0 387.480 2.779 50 0 GFAARO C[C@@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000097102680 570894750 /nfs/dbraw/zinc/89/47/50/570894750.db2.gz DRAJZGYLUVQRGO-RDTXWAMCSA-N 1 0 384.480 2.671 50 0 GFAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cccc(-c2cnn3ccccc23)c1 ZINC000534666517 570919452 /nfs/dbraw/zinc/91/94/52/570919452.db2.gz CVVQBIJVUZTGNM-FPOVZHCZSA-N 1 0 376.460 2.594 50 0 GFAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000017012411 570924256 /nfs/dbraw/zinc/92/42/56/570924256.db2.gz JYJTYJOHSQYOIT-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccco4)[C@H]3C[C@@]21O ZINC000004046756 570924992 /nfs/dbraw/zinc/92/49/92/570924992.db2.gz AQWWGXGRAWGACC-ZAWDRSOMSA-N 1 0 377.481 2.647 50 0 GFAARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000016995143 570936615 /nfs/dbraw/zinc/93/66/15/570936615.db2.gz CIWDJWBTXKOSMZ-UHFFFAOYSA-O 1 0 394.426 2.938 50 0 GFAARO CC(C)c1c(C(=O)N[C@H](C[NH3+])C2CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000236875417 570943994 /nfs/dbraw/zinc/94/39/94/570943994.db2.gz GYTGYNGZNAAHLA-CQSZACIVSA-N 1 0 381.402 2.877 50 0 GFAARO COc1ccc(CCC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000106152827 570949198 /nfs/dbraw/zinc/94/91/98/570949198.db2.gz CWHZEKZBOCHRHP-JFIYKMOQSA-N 1 0 378.488 2.867 50 0 GFAARO O=C(c1cccc(CN2CCOCC2)c1)N(CCO)Cc1ccc(Cl)cc1 ZINC000252487915 570969965 /nfs/dbraw/zinc/96/99/65/570969965.db2.gz IEFXQNORCRJDIL-UHFFFAOYSA-N 1 0 388.895 2.807 50 0 GFAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019300727 570974167 /nfs/dbraw/zinc/97/41/67/570974167.db2.gz ZLCZRSICPYBNKT-JOCHJYFZSA-N 1 0 379.504 2.737 50 0 GFAARO COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000083881706 570975107 /nfs/dbraw/zinc/97/51/07/570975107.db2.gz CWEWMLWVUOLMPT-OAQYLSRUSA-N 1 0 398.507 2.644 50 0 GFAARO O=C(c1cccnc1)N1CCC([N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091391314 571005866 /nfs/dbraw/zinc/00/58/66/571005866.db2.gz HYJSCTPILZBYAM-FQEVSTJZSA-N 1 0 379.504 2.743 50 0 GFAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091445109 571008777 /nfs/dbraw/zinc/00/87/77/571008777.db2.gz VLXLMPTULBERDS-CYBMUJFWSA-N 1 0 386.323 2.718 50 0 GFAARO Cc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091550825 571014339 /nfs/dbraw/zinc/01/43/39/571014339.db2.gz RSGUGQWLDAWZKI-RBUKOAKNSA-N 1 0 375.476 2.774 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccc3ccccc31)CC2 ZINC000091943781 571037090 /nfs/dbraw/zinc/03/70/90/571037090.db2.gz FOOSXIGLPGBMIM-UHFFFAOYSA-N 1 0 377.492 2.760 50 0 GFAARO CSc1ccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091951784 571037341 /nfs/dbraw/zinc/03/73/41/571037341.db2.gz GYMVQSUCACXSOQ-LJQANCHMSA-N 1 0 376.526 2.569 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3ccc(C)cc31)CC2 ZINC000091974308 571038494 /nfs/dbraw/zinc/03/84/94/571038494.db2.gz SUVCPMATDZKREL-UHFFFAOYSA-N 1 0 378.480 2.604 50 0 GFAARO Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1F ZINC000012786517 571039216 /nfs/dbraw/zinc/03/92/16/571039216.db2.gz YPIXUQBCAGAFAY-LJQANCHMSA-N 1 0 394.450 2.713 50 0 GFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ncc(C)c(OC)c1C)CC2 ZINC000092061697 571043062 /nfs/dbraw/zinc/04/30/62/571043062.db2.gz GOHUJMJTDOGCBY-UHFFFAOYSA-N 1 0 389.540 2.948 50 0 GFAARO CCn1ccnc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357860 571053098 /nfs/dbraw/zinc/05/30/98/571053098.db2.gz 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O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000011753765 204352377 /nfs/dbraw/zinc/35/23/77/204352377.db2.gz UXHPIRULTVQQDA-CYBMUJFWSA-N 1 0 395.956 2.997 50 0 GFAARO O=C(CCN1CCCO1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011874446 204360065 /nfs/dbraw/zinc/36/00/65/204360065.db2.gz OKDMFHQWVDLTFN-NRFANRHFSA-N 1 0 393.572 2.676 50 0 GFAARO CN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011934874 204362631 /nfs/dbraw/zinc/36/26/31/204362631.db2.gz BHACVWDOYIYDCK-NRFANRHFSA-N 1 0 397.563 2.801 50 0 GFAARO O=C(CCCn1cncn1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012023280 204367704 /nfs/dbraw/zinc/36/77/04/204367704.db2.gz WMVIYFIJEOCHOG-QFIPXVFZSA-N 1 0 381.524 2.616 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2cncn2)cc1 ZINC000010886430 204340987 /nfs/dbraw/zinc/34/09/87/204340987.db2.gz QZYYYAFRQZURFT-UHFFFAOYSA-N 1 0 375.476 2.721 50 0 GFAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[N@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000012303992 204393932 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COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccccc1C ZINC000036095043 205005386 /nfs/dbraw/zinc/00/53/86/205005386.db2.gz KEANPZYFOURLIU-IBGZPJMESA-N 1 0 389.492 2.901 50 0 GFAARO COCCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036100190 205005677 /nfs/dbraw/zinc/00/56/77/205005677.db2.gz LUYVNVIBERKUPI-LJQANCHMSA-N 1 0 389.492 2.982 50 0 GFAARO COC(=O)Cn1cc(C[NH2+][C@H]2COc3c(cccc3OC)C2)c2ccccc21 ZINC000039360030 205040597 /nfs/dbraw/zinc/04/05/97/205040597.db2.gz AXGDFXIKTARJCZ-QGZVFWFLSA-N 1 0 380.444 2.916 50 0 GFAARO O=S(=O)(c1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000039979621 205044665 /nfs/dbraw/zinc/04/46/65/205044665.db2.gz JGIDXZSDNWSPER-UHFFFAOYSA-N 1 0 380.897 2.651 50 0 GFAARO Cc1nc(COc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)no1 ZINC000040033452 205046520 /nfs/dbraw/zinc/04/65/20/205046520.db2.gz YOEIGMNCBJMEQI-LJQANCHMSA-N 1 0 380.448 2.990 50 0 GFAARO C[NH+](C)CCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355779 205062476 /nfs/dbraw/zinc/06/24/76/205062476.db2.gz GWHPUZOUDWXTSU-UHFFFAOYSA-N 1 0 387.292 2.994 50 0 GFAARO C[NH+](C)CCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355931 205062823 /nfs/dbraw/zinc/06/28/23/205062823.db2.gz PUISXTPRVAFNPC-UHFFFAOYSA-N 1 0 386.399 2.706 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040356032 205063033 /nfs/dbraw/zinc/06/30/33/205063033.db2.gz QFLGEJYETUTXAI-UHFFFAOYSA-N 1 0 376.457 2.750 50 0 GFAARO COc1cccc(CNCC[NH2+]CCO)c1OCc1c(F)cccc1Cl ZINC000040719475 205066776 /nfs/dbraw/zinc/06/67/76/205066776.db2.gz CVQPRODNHZFIOL-UHFFFAOYSA-N 1 0 382.863 2.738 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2Br)on1 ZINC000299740406 205092411 /nfs/dbraw/zinc/09/24/11/205092411.db2.gz ZHXSYHUVUVHOTE-LBPRGKRZSA-N 1 0 394.269 2.745 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)C1 ZINC000048311107 205118612 /nfs/dbraw/zinc/11/86/12/205118612.db2.gz WYMCGQXZFBZLBA-MBOZVWFJSA-N 1 0 383.536 2.792 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nccn1C)c1cccc(OC)c1 ZINC000048311151 205119005 /nfs/dbraw/zinc/11/90/05/205119005.db2.gz LKRRYNNECGJWKO-QGZVFWFLSA-N 1 0 376.526 2.720 50 0 GFAARO Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000045966722 205099699 /nfs/dbraw/zinc/09/96/99/205099699.db2.gz UIPMWVIOPGHULR-UHFFFAOYSA-N 1 0 383.467 2.598 50 0 GFAARO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(OC)cc2)C1 ZINC000052133380 205134056 /nfs/dbraw/zinc/13/40/56/205134056.db2.gz RNXYBNNVFFFFMD-RTBURBONSA-N 1 0 388.508 2.504 50 0 GFAARO C[C@H](CNC(=O)CCNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000053026181 205135203 /nfs/dbraw/zinc/13/52/03/205135203.db2.gz WTLVRWFXJTWRDE-MRXNPFEDSA-N 1 0 383.467 2.509 50 0 GFAARO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccon2)[C@H](c2ccccc2C)[N@@H+]1C ZINC000055109035 205143266 /nfs/dbraw/zinc/14/32/66/205143266.db2.gz ZQLJIHMQVFXBST-WFXMLNOXSA-N 1 0 385.464 2.566 50 0 GFAARO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000058053063 205162043 /nfs/dbraw/zinc/16/20/43/205162043.db2.gz LQIZWXPAQQDRAJ-RHSMWYFYSA-N 1 0 385.468 2.968 50 0 GFAARO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000058053046 205162301 /nfs/dbraw/zinc/16/23/01/205162301.db2.gz LQIZWXPAQQDRAJ-YOEHRIQHSA-N 1 0 385.468 2.968 50 0 GFAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1csc(-c2nc[nH]n2)n1 ZINC000058251023 205170922 /nfs/dbraw/zinc/17/09/22/205170922.db2.gz QTRKROZMHHHKFU-UHFFFAOYSA-N 1 0 382.493 2.844 50 0 GFAARO CCS(=O)(=O)c1ccccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058972883 205178173 /nfs/dbraw/zinc/17/81/73/205178173.db2.gz PRBYWHHWZIUNJG-CALCHBBNSA-N 1 0 380.554 2.968 50 0 GFAARO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC[NH+]1CCCC1 ZINC000064847038 205198317 /nfs/dbraw/zinc/19/83/17/205198317.db2.gz AFIDGUXMAOBGAL-UHFFFAOYSA-N 1 0 378.561 2.733 50 0 GFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000065329712 205231087 /nfs/dbraw/zinc/23/10/87/205231087.db2.gz LZGJXEJYBDPGRE-HNNXBMFYSA-N 1 0 388.512 2.806 50 0 GFAARO O=c1c2c3c(sc2ncn1CCc1cnn(-c2ccccc2)c1)C[NH2+]CC3 ZINC000065407242 205233907 /nfs/dbraw/zinc/23/39/07/205233907.db2.gz KZUPCHZSYJSGOK-UHFFFAOYSA-N 1 0 377.473 2.532 50 0 GFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccc(C(C)(C)C)cc2)[nH+]1 ZINC000067621491 205250429 /nfs/dbraw/zinc/25/04/29/205250429.db2.gz NIXMEGSITCRCJD-UHFFFAOYSA-N 1 0 397.523 2.761 50 0 GFAARO COc1ccc(C2(C(=O)N3CCC4(CC3)C[N@H+](C)CCN4C)CCCC2)cc1 ZINC000067650474 205253289 /nfs/dbraw/zinc/25/32/89/205253289.db2.gz DKWWZFLXSXUAPR-UHFFFAOYSA-N 1 0 385.552 2.745 50 0 GFAARO CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cc1 ZINC000067723675 205256214 /nfs/dbraw/zinc/25/62/14/205256214.db2.gz AGVZRWZDYXTWOE-OAQYLSRUSA-N 1 0 387.568 2.688 50 0 GFAARO Cc1csc(CC[NH2+]C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067834091 205262253 /nfs/dbraw/zinc/26/22/53/205262253.db2.gz MHILBODTXDENOX-FQEVSTJZSA-N 1 0 379.570 2.908 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)cc3F)CC2)C1 ZINC000067820068 205262500 /nfs/dbraw/zinc/26/25/00/205262500.db2.gz LEZGTEWDTQXOGE-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO CCc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCOC)C2)CC1 ZINC000067855797 205265356 /nfs/dbraw/zinc/26/53/56/205265356.db2.gz MICNIXVVKDMLAZ-NRFANRHFSA-N 1 0 387.568 2.688 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3cccs3)C2=O)c1 ZINC000067921862 205269081 /nfs/dbraw/zinc/26/90/81/205269081.db2.gz NKOBBYYSWSLDAA-IBGZPJMESA-N 1 0 378.469 2.539 50 0 GFAARO CC(C)[C@H]1C[N@H+](CCN2CCCC2=O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747833 205290322 /nfs/dbraw/zinc/29/03/22/205290322.db2.gz OCHNOHYFCNYGCT-LJQANCHMSA-N 1 0 375.488 2.507 50 0 GFAARO CC(C)[C@H]1C[N@H+](CCC(=O)NC2CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071750685 205290668 /nfs/dbraw/zinc/29/06/68/205290668.db2.gz IGVAXQZXTBONPZ-LJQANCHMSA-N 1 0 375.488 2.553 50 0 GFAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2csc(-c3ccccc3)n2)c1=O ZINC000071757123 205293760 /nfs/dbraw/zinc/29/37/60/205293760.db2.gz LFDSFUSIZHVKFC-UHFFFAOYSA-N 1 0 383.521 2.779 50 0 GFAARO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071776319 205296616 /nfs/dbraw/zinc/29/66/16/205296616.db2.gz QHJUCRNUHNPOIY-SFHVURJKSA-N 1 0 387.499 2.765 50 0 GFAARO O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071771316 205296665 /nfs/dbraw/zinc/29/66/65/205296665.db2.gz VHFKCNTXALTGBQ-HXUWFJFHSA-N 1 0 385.552 2.658 50 0 GFAARO Cc1nc(N)ncc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071774539 205297818 /nfs/dbraw/zinc/29/78/18/205297818.db2.gz GKDDARSCFVLVSH-IBGZPJMESA-N 1 0 385.487 2.879 50 0 GFAARO O=C(NC1CCOCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071771314 205297910 /nfs/dbraw/zinc/29/79/10/205297910.db2.gz VHFKCNTXALTGBQ-FQEVSTJZSA-N 1 0 385.552 2.658 50 0 GFAARO COc1coc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1=O ZINC000072128241 205306293 /nfs/dbraw/zinc/30/62/93/205306293.db2.gz HDXDYPWBHLMNMN-VLCRHTCISA-N 1 0 384.451 2.850 50 0 GFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CN(C)C(=O)O3)CC1)OCCCO2 ZINC000072125399 205306545 /nfs/dbraw/zinc/30/65/45/205306545.db2.gz NFZKKBDGVAFHMO-FQEVSTJZSA-N 1 0 376.453 2.663 50 0 GFAARO CC(C)[C@@H](CO)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072125425 205307445 /nfs/dbraw/zinc/30/74/45/205307445.db2.gz JMRZEBDLWSXBMU-JOCHJYFZSA-N 1 0 380.532 2.832 50 0 GFAARO CC(C)N(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072147055 205310233 /nfs/dbraw/zinc/31/02/33/205310233.db2.gz PVVPUWZSJCGIEH-QFIPXVFZSA-N 1 0 393.531 2.876 50 0 GFAARO Cc1nn(CCO)cc1C[N@@H+]1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144777 205310576 /nfs/dbraw/zinc/31/05/76/205310576.db2.gz PKECWJZUAZJKPE-DNVJHFABSA-N 1 0 380.536 2.554 50 0 GFAARO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000072153144 205312139 /nfs/dbraw/zinc/31/21/39/205312139.db2.gz HOXGIPWLDKIHBK-MRXNPFEDSA-N 1 0 379.508 2.916 50 0 GFAARO NC(=O)c1cccc(C[C@H]2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C2)c1 ZINC000072168203 205314850 /nfs/dbraw/zinc/31/48/50/205314850.db2.gz UOQHVAUWMRPAKG-GOSISDBHSA-N 1 0 377.488 2.582 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCCOCC2)Cc2ccccc2C1 ZINC000072167825 205316101 /nfs/dbraw/zinc/31/61/01/205316101.db2.gz LVPJQLSOKPHQPB-UHFFFAOYSA-N 1 0 378.516 2.947 50 0 GFAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000077288014 205357599 /nfs/dbraw/zinc/35/75/99/205357599.db2.gz TVMMBDVGFPDREJ-SFHVURJKSA-N 1 0 381.476 2.635 50 0 GFAARO Cc1ncccc1OC1(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)CC[NH2+]CC1 ZINC000077540557 205364892 /nfs/dbraw/zinc/36/48/92/205364892.db2.gz GPFRKVHIXFYHRA-INIZCTEOSA-N 1 0 399.495 2.761 50 0 GFAARO Cc1nc(-c2ccc(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)cc2)n[nH]1 ZINC000078966065 205377768 /nfs/dbraw/zinc/37/77/68/205377768.db2.gz MRZLYERGJGLEIG-UHFFFAOYSA-N 1 0 379.464 2.651 50 0 GFAARO O=C(CC1(Cn2cnnn2)CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000079473794 205382522 /nfs/dbraw/zinc/38/25/22/205382522.db2.gz REBIIVHXVWGHOB-UHFFFAOYSA-N 1 0 396.539 2.795 50 0 GFAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCc3ccc(C)c(F)c3)C2)cc1 ZINC000092099269 205433571 /nfs/dbraw/zinc/43/35/71/205433571.db2.gz OKHWZFMBRJHGPS-MSOLQXFVSA-N 1 0 383.467 2.923 50 0 GFAARO CC[NH+](CC)CCOCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000095939498 205505477 /nfs/dbraw/zinc/50/54/77/205505477.db2.gz ZVOUVGVIWKVYKO-UHFFFAOYSA-N 1 0 378.517 2.695 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000182505924 205861558 /nfs/dbraw/zinc/86/15/58/205861558.db2.gz OTNNMAWGLNEZNW-HXUWFJFHSA-N 1 0 381.476 2.644 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)c2sc3ncn(C)c(=O)c3c2C)[NH+](C)C)cc1 ZINC000027597353 206014356 /nfs/dbraw/zinc/01/43/56/206014356.db2.gz KTQGENLLOYPLAU-MRXNPFEDSA-N 1 0 398.532 2.899 50 0 GFAARO COc1ccc(CCNC(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225577035 206059135 /nfs/dbraw/zinc/05/91/35/206059135.db2.gz YEXMGCGMLSUSIY-GOSISDBHSA-N 1 0 377.554 2.754 50 0 GFAARO COCCOc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000225686048 206067078 /nfs/dbraw/zinc/06/70/78/206067078.db2.gz CXPNXRCEMFERLO-OAQYLSRUSA-N 1 0 380.488 2.985 50 0 GFAARO Cc1cc(S(=O)(=O)NCc2ccccc2CN2CC[NH+](C)CC2)c(C)s1 ZINC000032916501 206096148 /nfs/dbraw/zinc/09/61/48/206096148.db2.gz ZCVVVNMKHSHWRC-UHFFFAOYSA-N 1 0 393.578 2.591 50 0 GFAARO C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000229764588 206108538 /nfs/dbraw/zinc/10/85/38/206108538.db2.gz IIQJQXAGHGWZPW-BMQTXXJKSA-N 1 0 385.552 2.943 50 0 GFAARO Cc1cccc(N2CC[NH+](CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000032929985 206095807 /nfs/dbraw/zinc/09/58/07/206095807.db2.gz PZRJVUXWOQOKBZ-UHFFFAOYSA-N 1 0 392.503 2.601 50 0 GFAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCc4c[nH]nc43)cc2)C[C@H](C)O1 ZINC000229975432 206109840 /nfs/dbraw/zinc/10/98/40/206109840.db2.gz GOFWVXNPHPCHLP-YRNRMSPPSA-N 1 0 382.508 2.755 50 0 GFAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)nc1 ZINC000252492117 206139420 /nfs/dbraw/zinc/13/94/20/206139420.db2.gz MDEDNZUUOGHFAI-SFHVURJKSA-N 1 0 398.473 2.866 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)[nH]c2c3c(cccc3F)nn2c1=O ZINC000252522888 206142690 /nfs/dbraw/zinc/14/26/90/206142690.db2.gz BIWJHTPQZMKHKZ-CQSZACIVSA-N 1 0 399.470 2.569 50 0 GFAARO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000243893763 206129536 /nfs/dbraw/zinc/12/95/36/206129536.db2.gz AUBQHSCJLKSRAL-QGZVFWFLSA-N 1 0 380.492 2.572 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)[C@H](O)c3cccc(Cl)c3)cc2C1 ZINC000299761639 206185899 /nfs/dbraw/zinc/18/58/99/206185899.db2.gz YNQZJFYHFIJGAI-GOSISDBHSA-N 1 0 376.888 2.502 50 0 GFAARO Cc1cnc(-c2cccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2)nc1N(C)C ZINC000299772761 206188253 /nfs/dbraw/zinc/18/82/53/206188253.db2.gz AXPINUPBENUIBG-RBUKOAKNSA-N 1 0 379.508 2.827 50 0 GFAARO COc1ccc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)cc1OCC[NH3+] ZINC000426478162 533291803 /nfs/dbraw/zinc/29/18/03/533291803.db2.gz UCURIKVEUGBARF-IBGZPJMESA-N 1 0 390.505 2.680 50 0 GFAARO O=C(CC[NH+]1CCC(c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000040062897 132393521 /nfs/dbraw/zinc/39/35/21/132393521.db2.gz UQGALYZQHCBLDQ-UHFFFAOYSA-N 1 0 378.520 3.000 50 0 GFAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3nc4ccccc4o3)CC2)c1 ZINC000095356019 136178099 /nfs/dbraw/zinc/17/80/99/136178099.db2.gz HDPJGEGXGKIWIT-UHFFFAOYSA-N 1 0 378.476 2.965 50 0 GFAARO O=C(c1cc(C2CC2)nc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023257342 221588990 /nfs/dbraw/zinc/58/89/90/221588990.db2.gz MJMHZBRIHIYIIF-UHFFFAOYSA-N 1 0 378.520 2.966 50 0 GFAARO Cc1cc(N2CCN(C(=O)NCc3ccc4nsnc4c3)CC2)cc(C)[nH+]1 ZINC000426658575 533899361 /nfs/dbraw/zinc/89/93/61/533899361.db2.gz VDWJHDFDUXAEPA-UHFFFAOYSA-N 1 0 382.493 2.735 50 0 GFAARO O=C(NCC[NH+]1CCC(O)CC1)c1cccc(-c2cc(O)c(F)c(F)c2)c1 ZINC000426431950 534324985 /nfs/dbraw/zinc/32/49/85/534324985.db2.gz OCDBXHBIHJMLCQ-UHFFFAOYSA-N 1 0 376.403 2.524 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2Br)no1 ZINC000158568495 524807233 /nfs/dbraw/zinc/80/72/33/524807233.db2.gz ZFPUZBSAUHAMIX-CYBMUJFWSA-N 1 0 394.269 2.888 50 0 GFAARO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(OC)cc2)C1 ZINC000241774212 528055701 /nfs/dbraw/zinc/05/57/01/528055701.db2.gz RNXYBNNVFFFFMD-OALUTQOASA-N 1 0 388.508 2.504 50 0 GFAARO CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000426488532 528073921 /nfs/dbraw/zinc/07/39/21/528073921.db2.gz ZTACAQDORXEJKO-OAQYLSRUSA-N 1 0 377.504 2.648 50 0 GFAARO CCCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)o1 ZINC000426484932 528620682 /nfs/dbraw/zinc/62/06/82/528620682.db2.gz XNZGBKYETAOWHN-KRWDZBQOSA-N 1 0 387.528 2.572 50 0 GFAARO C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000065515771 535932873 /nfs/dbraw/zinc/93/28/73/535932873.db2.gz IWMJPMPYSCMNGE-UHFFFAOYSA-N 1 0 377.492 2.560 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)nn2-c2ccc(C)cc2)C1 ZINC000178985298 552181062 /nfs/dbraw/zinc/18/10/62/552181062.db2.gz PQKXBHKTLBUONO-ZDUSSCGKSA-N 1 0 377.286 2.625 50 0 GFAARO COc1c(Br)cccc1CN[C@H]1CCN(CC(F)(F)F)C1=O ZINC000237296239 553076689 /nfs/dbraw/zinc/07/66/89/553076689.db2.gz VUWFVAKZENIDJE-NSHDSACASA-N 1 0 381.192 2.711 50 0 GFAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000237499568 553078476 /nfs/dbraw/zinc/07/84/76/553078476.db2.gz JHEZJMHQFSVDED-RISCZKNCSA-N 1 0 377.286 2.895 50 0 GFAARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1C ZINC000253397171 553151635 /nfs/dbraw/zinc/15/16/35/553151635.db2.gz FJWHHYMBTDTYMY-GOSISDBHSA-N 1 0 380.535 2.965 50 0 GFAARO CC[C@H]1C[N@@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000004097968 560195067 /nfs/dbraw/zinc/19/50/67/560195067.db2.gz DAXYUDFNWXHGBE-KAXDATADSA-N 1 0 384.476 2.700 50 0 biogenic,in-vitro GFAARO C[NH+](C)CCN(C(=O)[C@H]1CC1(Cl)Cl)c1ccc(Br)cn1 ZINC000328589909 563460769 /nfs/dbraw/zinc/46/07/69/563460769.db2.gz PGSXMQALLPAVBR-SNVBAGLBSA-N 1 0 381.101 2.933 50 0 GFAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000096133488 570211751 /nfs/dbraw/zinc/21/17/51/570211751.db2.gz ZCADKTROIMTMFX-UHFFFAOYSA-N 1 0 375.480 2.921 50 0 GFAARO Cc1nnnn1-c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000096163289 570217300 /nfs/dbraw/zinc/21/73/00/570217300.db2.gz DZSAHNUANWMUTO-QGZVFWFLSA-N 1 0 381.440 2.522 50 0 GFAARO COc1cc(OC)c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000019789820 570219026 /nfs/dbraw/zinc/21/90/26/570219026.db2.gz MXRPTZMSHUGZCI-KRWDZBQOSA-N 1 0 378.513 2.524 50 0 GFAARO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)cc1 ZINC000000708719 570219288 /nfs/dbraw/zinc/21/92/88/570219288.db2.gz NPNPAVVCZIDHJC-KRWDZBQOSA-N 1 0 386.835 2.591 50 0 GFAARO CCn1c(=O)oc2cc(NC(=O)NC3CC[NH+](Cc4ccco4)CC3)ccc21 ZINC000097155616 570237655 /nfs/dbraw/zinc/23/76/55/570237655.db2.gz AALDMUHHRBTXHI-UHFFFAOYSA-N 1 0 384.436 2.994 50 0 GFAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000097272348 570240503 /nfs/dbraw/zinc/24/05/03/570240503.db2.gz NXVCMKHZUYQDDU-SFHVURJKSA-N 1 0 378.476 2.665 50 0 GFAARO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CCc1ccccc1 ZINC000020206488 570248232 /nfs/dbraw/zinc/24/82/32/570248232.db2.gz UHWOEHCIQOUCFD-QHCPKHFHSA-N 1 0 390.531 2.984 50 0 GFAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)cc1 ZINC000020234582 570249397 /nfs/dbraw/zinc/24/93/97/570249397.db2.gz POIDVRWXZNQFTJ-FQEVSTJZSA-N 1 0 384.524 2.920 50 0 GFAARO COc1ccccc1/C=C/CN1CCN(Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000105282365 570260573 /nfs/dbraw/zinc/26/05/73/570260573.db2.gz PXJSRAKHUPZAQP-MECCDNJOSA-N 1 0 381.520 2.981 50 0 GFAARO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000236886880 570275526 /nfs/dbraw/zinc/27/55/26/570275526.db2.gz UZWDEWYUDILDRD-GOSISDBHSA-N 1 0 392.931 2.857 50 0 GFAARO O=C(NCc1ncc[nH]1)c1ccc([C@@H]2CCC[N@@H+]2CCCn2cccn2)s1 ZINC000020866760 570282634 /nfs/dbraw/zinc/28/26/34/570282634.db2.gz BQMMBMHZOOYTPN-HNNXBMFYSA-N 1 0 384.509 2.825 50 0 GFAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccncc1)C2 ZINC000020906350 570284139 /nfs/dbraw/zinc/28/41/39/570284139.db2.gz VJNBYQZNOJXZSF-SFHVURJKSA-N 1 0 381.524 2.961 50 0 GFAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000020906352 570284189 /nfs/dbraw/zinc/28/41/89/570284189.db2.gz VJNBYQZNOJXZSF-GOSISDBHSA-N 1 0 381.524 2.961 50 0 GFAARO CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000021795033 570296288 /nfs/dbraw/zinc/29/62/88/570296288.db2.gz TUAHJVUHOFGPAM-UHFFFAOYSA-N 1 0 384.484 2.604 50 0 GFAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c1C ZINC000012944817 570316627 /nfs/dbraw/zinc/31/66/27/570316627.db2.gz SLHQZVWTOCGFFF-HXUWFJFHSA-N 1 0 389.521 2.876 50 0 GFAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022794388 570328349 /nfs/dbraw/zinc/32/83/49/570328349.db2.gz ZRLNCRBQGNJIRM-PMACEKPBSA-N 1 0 386.492 2.530 50 0 GFAARO CCn1c2ccccc2n(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1=O ZINC000023741843 570330578 /nfs/dbraw/zinc/33/05/78/570330578.db2.gz DNSYXAHJSBQPNZ-OAQYLSRUSA-N 1 0 392.503 2.776 50 0 GFAARO CC(C)C[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000022918589 570335545 /nfs/dbraw/zinc/33/55/45/570335545.db2.gz OWUIEDQTEAYIDI-QFIPXVFZSA-N 1 0 386.540 2.808 50 0 GFAARO C[NH+](C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000011694427 570342904 /nfs/dbraw/zinc/34/29/04/570342904.db2.gz DBXNBEBYXREILE-UHFFFAOYSA-N 1 0 382.439 2.882 50 0 GFAARO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023247961 570352435 /nfs/dbraw/zinc/35/24/35/570352435.db2.gz UFUJFTQTIZULGG-UHFFFAOYSA-N 1 0 391.519 2.946 50 0 GFAARO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN[C@H]1CCS(=O)(=O)C1 ZINC000061002649 570357563 /nfs/dbraw/zinc/35/75/63/570357563.db2.gz FABLWXWIQWVLEF-AWEZNQCLSA-N 1 0 388.320 2.823 50 0 GFAARO COc1ccc(C2=NC3(CC[NH+](Cc4cccc(OC)c4)CC3)NC2=O)cc1 ZINC000009526764 570374382 /nfs/dbraw/zinc/37/43/82/570374382.db2.gz APYJUPDJHZSTIZ-UHFFFAOYSA-N 1 0 379.460 2.615 50 0 GFAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000025137368 570406558 /nfs/dbraw/zinc/40/65/58/570406558.db2.gz OEGWDIZVNPCNSD-UHFFFAOYSA-N 1 0 379.508 2.985 50 0 GFAARO COc1cc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000025330001 570411501 /nfs/dbraw/zinc/41/15/01/570411501.db2.gz FVRXYXJUYYBJMO-HNNXBMFYSA-N 1 0 378.494 2.736 50 0 GFAARO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000239762508 570430751 /nfs/dbraw/zinc/43/07/51/570430751.db2.gz CLSFJPDGCPYCCP-OALUTQOASA-N 1 0 377.488 2.889 50 0 GFAARO COC(=O)c1cccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000030153936 570486588 /nfs/dbraw/zinc/48/65/88/570486588.db2.gz CCFKVLHRPVYSCS-UHFFFAOYSA-N 1 0 395.503 2.928 50 0 GFAARO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC ZINC000030269679 570487832 /nfs/dbraw/zinc/48/78/32/570487832.db2.gz ZDDNHNGFGQBEBW-GFCCVEGCSA-N 1 0 397.541 2.994 50 0 GFAARO [NH3+]CCOc1ccc(F)cc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000426627854 570502653 /nfs/dbraw/zinc/50/26/53/570502653.db2.gz UYKNOKFDHAIABJ-CQSZACIVSA-N 1 0 375.419 2.559 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[NH+]([C@@H]2CCCC[C@H]2OC)CC1 ZINC000020228041 570536989 /nfs/dbraw/zinc/53/69/89/570536989.db2.gz DDSPTLXNWPWAQQ-QZTJIDSGSA-N 1 0 378.513 2.788 50 0 GFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C)cc2)cc1 ZINC000035421541 570552516 /nfs/dbraw/zinc/55/25/16/570552516.db2.gz BWMWPUNWSCIWSU-UHFFFAOYSA-N 1 0 379.504 2.768 50 0 GFAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3 ZINC000019370401 570596578 /nfs/dbraw/zinc/59/65/78/570596578.db2.gz WXPLAPMEBIXONW-UHFFFAOYSA-N 1 0 378.428 2.840 50 0 GFAARO C[N@H+](CCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1)C1CCCC1 ZINC000012441546 570664607 /nfs/dbraw/zinc/66/46/07/570664607.db2.gz CKXLTLMUQGTBLA-SFHVURJKSA-N 1 0 389.515 2.945 50 0 GFAARO Cc1ccc(C(=O)N2CCC3(C[N@H+](C)C[C@@H]3c3noc(C4CC4)n3)CC2)cn1 ZINC000097151699 570665023 /nfs/dbraw/zinc/66/50/23/570665023.db2.gz JYRKFHLHTJBHQM-QGZVFWFLSA-N 1 0 381.480 2.602 50 0 GFAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Cl)cc2)c1 ZINC000033032792 570670082 /nfs/dbraw/zinc/67/00/82/570670082.db2.gz JXXHKTISALVYFV-UHFFFAOYSA-N 1 0 385.895 2.723 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cc2ncccn2n1 ZINC000012470287 570672179 /nfs/dbraw/zinc/67/21/79/570672179.db2.gz ASNRZSHPWMSIIU-QGZVFWFLSA-N 1 0 395.482 2.895 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@H](C)Cc3cc(C)ccn3)CC2)CC1 ZINC000012435593 570675456 /nfs/dbraw/zinc/67/54/56/570675456.db2.gz MFYUHWTYMVZORB-HXUWFJFHSA-N 1 0 386.584 2.977 50 0 GFAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCN2CCCCC2=O)C1 ZINC000012712123 570702815 /nfs/dbraw/zinc/70/28/15/570702815.db2.gz PLPOWXNAEVLUCY-OAQYLSRUSA-N 1 0 385.552 2.802 50 0 GFAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000012718696 570705869 /nfs/dbraw/zinc/70/58/69/570705869.db2.gz YKFSPNUEYXFHRO-XDCCUOHYSA-N 1 0 382.548 2.997 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CCC[N@H+](C)CC3)nc2)cc1 ZINC000012747018 570708680 /nfs/dbraw/zinc/70/86/80/570708680.db2.gz HQFQYSXDBFXZAH-UHFFFAOYSA-N 1 0 382.508 2.595 50 0 GFAARO CC(C)C(=O)Nc1nc(CC(=O)N2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000058268433 570724145 /nfs/dbraw/zinc/72/41/45/570724145.db2.gz MCTVLDSHAOGJQA-UHFFFAOYSA-N 1 0 378.542 2.757 50 0 GFAARO COC(=O)c1cccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000013001543 570741140 /nfs/dbraw/zinc/74/11/40/570741140.db2.gz PPFSHIIARHMGNQ-UHFFFAOYSA-N 1 0 394.537 2.940 50 0 GFAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)cc2OC)N2CCOCC2)cc1 ZINC000032735848 570788666 /nfs/dbraw/zinc/78/86/66/570788666.db2.gz VQRDYJXAHBBVOE-OAQYLSRUSA-N 1 0 386.492 2.876 50 0 GFAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000012507917 570823684 /nfs/dbraw/zinc/82/36/84/570823684.db2.gz ZXXMYDDIUJLSAG-UHFFFAOYSA-N 1 0 387.505 2.702 50 0 GFAARO O=C(NCc1ccc(F)cc1)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043940956 570841839 /nfs/dbraw/zinc/84/18/39/570841839.db2.gz HDVBTNDSIWJWOX-UHFFFAOYSA-N 1 0 389.496 2.532 50 0 GFAARO Cc1cc(C[NH+]2CCC(CNC(=O)Cn3c(=O)oc4ccccc43)CC2)c(C)o1 ZINC000043972726 570847443 /nfs/dbraw/zinc/84/74/43/570847443.db2.gz DVBYJGXHRCXNAP-UHFFFAOYSA-N 1 0 397.475 2.833 50 0 GFAARO Oc1ccc(C2=CC[N@H+](C[C@@H](O)COCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032854346 570854872 /nfs/dbraw/zinc/85/48/72/570854872.db2.gz RQQITUGYUOOUIZ-HXUWFJFHSA-N 1 0 383.444 2.788 50 0 GFAARO CC(C)CC[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014881450 570863436 /nfs/dbraw/zinc/86/34/36/570863436.db2.gz BJQZWOUCANHSGO-SFHVURJKSA-N 1 0 383.540 2.992 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1F ZINC000014971319 570868110 /nfs/dbraw/zinc/86/81/10/570868110.db2.gz WMPQSVQHNBZTRW-HXUWFJFHSA-N 1 0 396.384 2.886 50 0 GFAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]C1Cc2ccccc2C1 ZINC000014977887 570868585 /nfs/dbraw/zinc/86/85/85/570868585.db2.gz KBKQNAHDAHDOLN-QFIPXVFZSA-N 1 0 386.442 2.575 50 0 GFAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NC1Cc3ccccc3C1)C2 ZINC000015009224 570871387 /nfs/dbraw/zinc/87/13/87/570871387.db2.gz BMBNUGULIPWOIA-INIZCTEOSA-N 1 0 380.488 2.952 50 0 GFAARO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 ZINC000015066654 570876287 /nfs/dbraw/zinc/87/62/87/570876287.db2.gz BKGAKOYAZSXPKV-DHIUTWEWSA-N 1 0 383.511 2.892 50 0 GFAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000015072359 570877744 /nfs/dbraw/zinc/87/77/44/570877744.db2.gz ONDHTRVEEFRDNK-FQEVSTJZSA-N 1 0 388.508 2.761 50 0 GFAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000015276212 570882702 /nfs/dbraw/zinc/88/27/02/570882702.db2.gz HNSNKMPSOKDMRK-SKDCKSNHSA-N 1 0 397.434 2.785 50 0 GFAARO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000015377266 570892764 /nfs/dbraw/zinc/89/27/64/570892764.db2.gz UNLQYFRJMJYZNQ-UHFFFAOYSA-N 1 0 397.541 2.587 50 0 GFAARO COc1ccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)cc1OC ZINC000245325626 570906078 /nfs/dbraw/zinc/90/60/78/570906078.db2.gz BLGYYDZTZGPETQ-QZTJIDSGSA-N 1 0 381.513 2.861 50 0 GFAARO [NH3+]C1CCN(CC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000097229018 570909550 /nfs/dbraw/zinc/90/95/50/570909550.db2.gz BCSSZAJQAJLWLX-UHFFFAOYSA-N 1 0 376.888 2.610 50 0 GFAARO CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127471 570912575 /nfs/dbraw/zinc/91/25/75/570912575.db2.gz CLXHKEGSJLTGDR-UHFFFAOYSA-N 1 0 385.464 2.645 50 0 GFAARO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000534651126 570914333 /nfs/dbraw/zinc/91/43/33/570914333.db2.gz CNSFOVNVWGOHNB-MRXNPFEDSA-N 1 0 380.483 2.524 50 0 GFAARO CC(C)c1c(C(=O)N[C@@H](C[NH3+])C2CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000236873959 570943131 /nfs/dbraw/zinc/94/31/31/570943131.db2.gz GYTGYNGZNAAHLA-AWEZNQCLSA-N 1 0 381.402 2.877 50 0 GFAARO O=C(C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1)N1CCc2ccccc21 ZINC000194973185 570961187 /nfs/dbraw/zinc/96/11/87/570961187.db2.gz PILUEQGOLLTUGY-LJQANCHMSA-N 1 0 398.478 2.867 50 0 GFAARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)cc1OC ZINC000012197250 570963102 /nfs/dbraw/zinc/96/31/02/570963102.db2.gz NOYYYJKJECIXSD-KRWDZBQOSA-N 1 0 398.459 2.999 50 0 GFAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)CC1 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2.915 50 0 GFAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091779269 571030170 /nfs/dbraw/zinc/03/01/70/571030170.db2.gz MHJUCGJUQGTWSB-OAQYLSRUSA-N 1 0 383.496 2.795 50 0 GFAARO O=C(CCN1CCCCCC1=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091817878 571031683 /nfs/dbraw/zinc/03/16/83/571031683.db2.gz HUDOOLJHXDFKPE-NHCUHLMSSA-N 1 0 383.536 2.902 50 0 GFAARO COc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)ccn1 ZINC000092020281 571041125 /nfs/dbraw/zinc/04/11/25/571041125.db2.gz XMZPBBCFLYPGBW-UHFFFAOYSA-N 1 0 383.496 2.755 50 0 GFAARO Cc1ccc([C@H]2CN(C(=O)c3cn4cccnc4n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095356159 571052297 /nfs/dbraw/zinc/05/22/97/571052297.db2.gz ABXLQLCBZYXURO-HMXCVIKNSA-N 1 0 387.487 2.740 50 0 GFAARO CC(C)c1nc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000095359055 571054255 /nfs/dbraw/zinc/05/42/55/571054255.db2.gz KLCUMEVWXSRUAD-KFKAGJAMSA-N 1 0 382.464 2.988 50 0 GFAARO CC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000095361470 571055574 /nfs/dbraw/zinc/05/55/74/571055574.db2.gz YCXYWIBXKZMUOQ-IBGZPJMESA-N 1 0 378.480 2.642 50 0 GFAARO O=C(Cn1ccc(=O)c2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095363255 571057040 /nfs/dbraw/zinc/05/70/40/571057040.db2.gz WCTGYJMGKQVHBQ-RTBURBONSA-N 1 0 379.504 2.724 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000095376964 571065151 /nfs/dbraw/zinc/06/51/51/571065151.db2.gz PXZCYFUYTJFROA-UHFFFAOYSA-N 1 0 380.496 2.502 50 0 GFAARO CCc1c(C)scc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000095383525 571069120 /nfs/dbraw/zinc/06/91/20/571069120.db2.gz AGWRTBMMAXZUGK-HXUWFJFHSA-N 1 0 377.554 2.778 50 0 GFAARO Cc1nc([C@@H]2CCCN(C(=O)C3CC[NH+](C4CCCCC4)CC3)C2)cc(=O)[nH]1 ZINC000095389207 571071780 /nfs/dbraw/zinc/07/17/80/571071780.db2.gz JBJPAJMEKGPPAI-GOSISDBHSA-N 1 0 386.540 2.829 50 0 GFAARO C[C@@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000095499845 571075689 /nfs/dbraw/zinc/07/56/89/571075689.db2.gz AJPIUJWPOXMYNW-AWEZNQCLSA-N 1 0 391.475 2.754 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cncnc3C)C2)cc1 ZINC000095504477 571077868 /nfs/dbraw/zinc/07/78/68/571077868.db2.gz ONYJVPIPAFHVFP-LJQANCHMSA-N 1 0 382.508 2.820 50 0 GFAARO O=C(CCC1CCN(C(=O)C2CC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095513241 571083556 /nfs/dbraw/zinc/08/35/56/571083556.db2.gz FQGWSXDQBPREQK-OAQYLSRUSA-N 1 0 383.536 2.806 50 0 GFAARO O=C(CCCc1nc(-c2ccco2)no1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095516542 571084049 /nfs/dbraw/zinc/08/40/49/571084049.db2.gz GMGJRIWSVYTSDG-IAGOWNOFSA-N 1 0 384.480 2.985 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(=O)cc(C)o2)C1 ZINC000095519136 571085448 /nfs/dbraw/zinc/08/54/48/571085448.db2.gz WPBPIOZWABFALF-GOSISDBHSA-N 1 0 398.503 2.984 50 0 GFAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(-c3cccs3)nc1)CC2 ZINC000095521686 571087185 /nfs/dbraw/zinc/08/71/85/571087185.db2.gz MUNRZFAIAQYEPT-UHFFFAOYSA-N 1 0 380.521 2.907 50 0 GFAARO COc1ccc(C(=O)N2CCC(O)CC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095523465 571089225 /nfs/dbraw/zinc/08/92/25/571089225.db2.gz YVEBYIDMOHOROH-UHFFFAOYSA-N 1 0 376.497 2.544 50 0 GFAARO COc1ccc(CN(C)Cc2ccncc2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095528269 571091826 /nfs/dbraw/zinc/09/18/26/571091826.db2.gz KXVTWCNPNKINHH-NRFANRHFSA-N 1 0 399.535 2.866 50 0 GFAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000012571920 654501153 /nfs/dbraw/zinc/50/11/53/654501153.db2.gz UNEYXOZRNCJCFY-OAHLLOKOSA-N 1 0 384.567 2.581 50 0 GFAARO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)Nc1nccn1Cc1ccc(Br)cc1 ZINC000888101820 663178456 /nfs/dbraw/zinc/17/84/56/663178456.db2.gz PFDBIXJKERLJDM-ZFWWWQNUSA-N 1 0 395.276 2.970 50 0 GFAARO CN(C(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000172639066 231028392 /nfs/dbraw/zinc/02/83/92/231028392.db2.gz KEXLGIVCBALWAR-KRWDZBQOSA-N 1 0 382.464 2.971 50 0 GFAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1CCn1cccn1 ZINC000426431370 231220392 /nfs/dbraw/zinc/22/03/92/231220392.db2.gz RPBPXHHAMAHXBY-INIZCTEOSA-N 1 0 376.888 2.959 50 0 GFAARO Cc1noc(C)c1CSc1nnc(C2CC[NH2+]CC2)n1C[C@H]1CCCO1 ZINC000426478147 231226396 /nfs/dbraw/zinc/22/63/96/231226396.db2.gz RHDMEFRIAZGUFK-OAHLLOKOSA-N 1 0 377.514 2.821 50 0 GFAARO COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002403058 203941839 /nfs/dbraw/zinc/94/18/39/203941839.db2.gz VSOVXBUPQBIAPJ-IBGZPJMESA-N 1 0 378.428 2.908 50 0 GFAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(F)cc2s1 ZINC000004359452 204041227 /nfs/dbraw/zinc/04/12/27/204041227.db2.gz GZTSLDLZWDZBOD-UHFFFAOYSA-N 1 0 379.457 2.998 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000003352986 204000400 /nfs/dbraw/zinc/00/04/00/204000400.db2.gz LPNBLPPQZAVMTN-FQEVSTJZSA-N 1 0 381.476 2.855 50 0 GFAARO CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000003347656 204000700 /nfs/dbraw/zinc/00/07/00/204000700.db2.gz CVLHYFNUCQNQRT-UXHICEINSA-N 1 0 393.487 2.726 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304282 204124232 /nfs/dbraw/zinc/12/42/32/204124232.db2.gz CCDRSMWZTYEGDL-UHFFFAOYSA-N 1 0 378.476 2.516 50 0 GFAARO COC(=O)c1sc(NC(=O)CC[NH+]2CCCCCC2)c(C(=O)OC)c1C ZINC000005445108 204132178 /nfs/dbraw/zinc/13/21/78/204132178.db2.gz SGWMLXTVRJHXJB-UHFFFAOYSA-N 1 0 382.482 2.834 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806307 204209762 /nfs/dbraw/zinc/20/97/62/204209762.db2.gz NGVGHMQIYGQKJE-UHFFFAOYSA-N 1 0 376.526 2.595 50 0 GFAARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000007389266 204239655 /nfs/dbraw/zinc/23/96/55/204239655.db2.gz ULOJNKBFAGZKFK-INIZCTEOSA-N 1 0 379.526 2.530 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000007686379 204246446 /nfs/dbraw/zinc/24/64/46/204246446.db2.gz SQQXSLLTCNISAD-IBGZPJMESA-N 1 0 378.476 2.746 50 0 GFAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000008373814 204274433 /nfs/dbraw/zinc/27/44/33/204274433.db2.gz QSDUEVAZAQQYTH-IBGZPJMESA-N 1 0 378.428 2.996 50 0 GFAARO FC(F)(F)c1nnc2ccc(N3CC[NH+](CCc4ccccc4)CC3)nn21 ZINC000009390097 204309926 /nfs/dbraw/zinc/30/99/26/204309926.db2.gz LQFCHCMFLPPKPZ-UHFFFAOYSA-N 1 0 376.386 2.508 50 0 GFAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)COc3ccccc3)CC2)[nH+]1 ZINC000009620676 204318111 /nfs/dbraw/zinc/31/81/11/204318111.db2.gz BZBDOOFVMLJBTR-UHFFFAOYSA-N 1 0 395.507 2.503 50 0 GFAARO O=C(CN1CC=C(c2ccccc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000009884396 204326743 /nfs/dbraw/zinc/32/67/43/204326743.db2.gz AEJSQBNMGLQPBJ-UHFFFAOYSA-N 1 0 397.563 2.927 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000011937172 204364207 /nfs/dbraw/zinc/36/42/07/204364207.db2.gz WGXWHUAJZGGYBQ-UHFFFAOYSA-N 1 0 399.491 2.510 50 0 GFAARO O=C(CCN1CCCC1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012112261 204373112 /nfs/dbraw/zinc/37/31/12/204373112.db2.gz WCUPFYRSUUOBDA-JOCHJYFZSA-N 1 0 387.499 2.653 50 0 GFAARO O=C1O[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000012386575 204403102 /nfs/dbraw/zinc/40/31/02/204403102.db2.gz NBSYZHUFPUUBKO-LSDHHAIUSA-N 1 0 384.402 2.596 50 0 GFAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2=O)c1 ZINC000012455781 204412289 /nfs/dbraw/zinc/41/22/89/204412289.db2.gz LMMMPHYZPKRJTB-JOCHJYFZSA-N 1 0 382.508 2.797 50 0 GFAARO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCO)cc(OC)c1OC ZINC000012316622 204395869 /nfs/dbraw/zinc/39/58/69/204395869.db2.gz DKMYSQDNZXLHQM-INIZCTEOSA-N 1 0 375.469 2.839 50 0 GFAARO NC(=O)C1CCN(C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)CC1 ZINC000012314617 204395969 /nfs/dbraw/zinc/39/59/69/204395969.db2.gz CGLIQZDOUJDCRK-UHFFFAOYSA-N 1 0 399.535 2.810 50 0 GFAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]Cc1ccccn1)C2 ZINC000014540569 204536171 /nfs/dbraw/zinc/53/61/71/204536171.db2.gz DPSMAXUEQDNFSA-KRWDZBQOSA-N 1 0 393.466 2.531 50 0 GFAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014753843 204542541 /nfs/dbraw/zinc/54/25/41/204542541.db2.gz UGBAKQWDPXZMBM-UHFFFAOYSA-N 1 0 394.475 2.519 50 0 GFAARO Cn1cc(CCNC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000014960713 204547503 /nfs/dbraw/zinc/54/75/03/204547503.db2.gz QMBYGNLSODKITB-UHFFFAOYSA-N 1 0 388.515 2.748 50 0 GFAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000020228942 204707841 /nfs/dbraw/zinc/70/78/41/204707841.db2.gz YCYCLXGLRCWKEE-UHFFFAOYSA-N 1 0 387.455 2.994 50 0 GFAARO CCCCn1nc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1=O ZINC000026950285 204851061 /nfs/dbraw/zinc/85/10/61/204851061.db2.gz BFDRKKSAZHTSLO-UHFFFAOYSA-N 1 0 382.508 2.959 50 0 GFAARO CC(C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)[NH+](C)C ZINC000030611031 204897266 /nfs/dbraw/zinc/89/72/66/204897266.db2.gz AOTSBPGFQRCWKC-HXUWFJFHSA-N 1 0 378.476 2.702 50 0 GFAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000033264243 204953726 /nfs/dbraw/zinc/95/37/26/204953726.db2.gz LKWRUTXHVATSGK-HXUWFJFHSA-N 1 0 386.540 2.762 50 0 GFAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCCC[C@@H]2[C@@H]1N1CCOCC1 ZINC000036075324 205004152 /nfs/dbraw/zinc/00/41/52/205004152.db2.gz NNKLHIKTXJPZQM-PIPMEXSNSA-N 1 0 382.508 2.598 50 0 GFAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2)c1 ZINC000036098571 205004877 /nfs/dbraw/zinc/00/48/77/205004877.db2.gz LWSCZZWULJJXBT-JOCHJYFZSA-N 1 0 384.520 2.569 50 0 GFAARO COc1cccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]2CCCO2)c1 ZINC000036100272 205004917 /nfs/dbraw/zinc/00/49/17/205004917.db2.gz PQMLOKJYCGFBNC-ICSRJNTNSA-N 1 0 375.465 2.847 50 0 GFAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1 ZINC000036097162 205006025 /nfs/dbraw/zinc/00/60/25/205006025.db2.gz SVSZBBAXOJANDK-LJQANCHMSA-N 1 0 389.492 2.982 50 0 GFAARO COc1cccc(-c2noc(-c3ccc(N4CC[C@H]([NH+](C)C)C4)nc3)n2)c1OC ZINC000039379324 205039785 /nfs/dbraw/zinc/03/97/85/205039785.db2.gz WNNDUDPRENCZDZ-HNNXBMFYSA-N 1 0 395.463 2.956 50 0 GFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]1 ZINC000036708097 205020173 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C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048311272 205118075 /nfs/dbraw/zinc/11/80/75/205118075.db2.gz YOKOGEWFEQKVJU-TWFHAPMSSA-N 1 0 385.552 2.943 50 0 GFAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000048309303 205118642 /nfs/dbraw/zinc/11/86/42/205118642.db2.gz XLKJITXBUFJLQH-ZDUSSCGKSA-N 1 0 380.432 2.986 50 0 GFAARO O=C(CCN(C(=O)c1ccc(F)cc1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000045966571 205100801 /nfs/dbraw/zinc/10/08/01/205100801.db2.gz MGIYPIWRNVLIMM-UHFFFAOYSA-N 1 0 375.488 2.813 50 0 GFAARO O=C(NCc1cccc(Cn2cncn2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174845 205154666 /nfs/dbraw/zinc/15/46/66/205154666.db2.gz JCTZQMPIPOTWFS-OAQYLSRUSA-N 1 0 375.476 2.607 50 0 GFAARO COc1cccc(-c2nc(CSc3nnnn3CC[NH+](C)C)cs2)c1 ZINC000058283496 205171968 /nfs/dbraw/zinc/17/19/68/205171968.db2.gz LDGOMYQUEKCLKJ-UHFFFAOYSA-N 1 0 376.511 2.659 50 0 GFAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000058426504 205174582 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[NH3+]CCc1nc2ccccc2c(N2CCC[C@H]2c2nc(-c3ccncc3)no2)n1 ZINC000065380860 205231934 /nfs/dbraw/zinc/23/19/34/205231934.db2.gz KWWWYZVNNVACJX-KRWDZBQOSA-N 1 0 387.447 2.918 50 0 GFAARO c1ccc(CN(C[C@H]2CCCO2)c2ncnc3sc4c(c32)CC[NH2+]C4)nc1 ZINC000065372693 205232939 /nfs/dbraw/zinc/23/29/39/205232939.db2.gz PIBVBWMDWRLLKQ-OAHLLOKOSA-N 1 0 381.505 2.918 50 0 GFAARO C[C@H]1CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@H](C)O1 ZINC000065890220 205238846 /nfs/dbraw/zinc/23/88/46/205238846.db2.gz ISVWAHWLYNTMPS-KBPBESRZSA-N 1 0 399.329 2.809 50 0 GFAARO Cc1c(C(=O)NCC[N@@H+](C)C2CCCC2)nnn1-c1cccc2ncccc21 ZINC000066838733 205241841 /nfs/dbraw/zinc/24/18/41/205241841.db2.gz QPXQLDHWOFGWGR-UHFFFAOYSA-N 1 0 378.480 2.728 50 0 GFAARO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000067601822 205250105 /nfs/dbraw/zinc/25/01/05/205250105.db2.gz GZXAACXJIOUULT-UHFFFAOYSA-N 1 0 379.508 2.964 50 0 GFAARO Cc1cc(N2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000067650239 205252432 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O=C([C@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878151 205266464 /nfs/dbraw/zinc/26/64/64/205266464.db2.gz QJECUACMGYWSIW-OIHWHRODSA-N 1 0 397.563 2.735 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3cccs3)C2=O)c1 ZINC000067921863 205267499 /nfs/dbraw/zinc/26/74/99/205267499.db2.gz NKOBBYYSWSLDAA-LJQANCHMSA-N 1 0 378.469 2.539 50 0 GFAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000067975081 205270721 /nfs/dbraw/zinc/27/07/21/205270721.db2.gz NESJWWZCYBCZOG-JOCHJYFZSA-N 1 0 388.508 2.829 50 0 GFAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071388835 205282489 /nfs/dbraw/zinc/28/24/89/205282489.db2.gz BFUITAIJGGWVJN-QGZVFWFLSA-N 1 0 389.515 2.789 50 0 GFAARO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+][C@H](C)C1CCC1 ZINC000071750426 205290012 /nfs/dbraw/zinc/29/00/12/205290012.db2.gz LBTAHGDBZZSTMW-OAHLLOKOSA-N 1 0 380.492 2.962 50 0 GFAARO O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071748376 205290254 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50 0 GFAARO O=C(c1cnn2c1CCCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072161030 205313009 /nfs/dbraw/zinc/31/30/09/205313009.db2.gz SQERNBVVEIWHLB-KSEOMHKRSA-N 1 0 376.504 2.922 50 0 GFAARO CCc1nccn1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072171188 205314562 /nfs/dbraw/zinc/31/45/62/205314562.db2.gz OTJVIZSOAZKALR-UEVCKROQSA-N 1 0 378.520 2.924 50 0 GFAARO Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000072171303 205314971 /nfs/dbraw/zinc/31/49/71/205314971.db2.gz OBXDAYGMLPIULG-FQEVSTJZSA-N 1 0 381.520 2.781 50 0 GFAARO Cc1nn(-c2cccc(C(=O)N3CCC[C@@H]([NH3+])CC3)c2)c(=O)c2ccccc12 ZINC000072168031 205315418 /nfs/dbraw/zinc/31/54/18/205315418.db2.gz PVQRQNJSYOCMAL-QGZVFWFLSA-N 1 0 376.460 2.648 50 0 GFAARO Cc1ccc(OC2(C(=O)NCc3ccccc3-n3ccnc3)CC[NH2+]CC2)cc1 ZINC000077504616 205363919 /nfs/dbraw/zinc/36/39/19/205363919.db2.gz OXHGAAJZTFGUFU-UHFFFAOYSA-N 1 0 390.487 2.998 50 0 GFAARO Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)cs2)n1 ZINC000072473039 205353601 /nfs/dbraw/zinc/35/36/01/205353601.db2.gz RAPSFJSNCTYVCC-MNOVXSKESA-N 1 0 387.431 2.915 50 0 GFAARO Cc1cc(C)n(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)n1 ZINC000072410656 205347214 /nfs/dbraw/zinc/34/72/14/205347214.db2.gz RGNFRRLHASZOQF-HNNXBMFYSA-N 1 0 377.496 2.541 50 0 GFAARO Cc1nnc(CCC(=O)N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000072419966 205347578 /nfs/dbraw/zinc/34/75/78/205347578.db2.gz QARVQWUWVGVXPO-JOCHJYFZSA-N 1 0 381.524 2.951 50 0 GFAARO Cc1nn(C)c2nc(C)nc(NC[C@H]3C[C@@H](CO)[N@H+](C)[C@H]3c3ccccc3F)c12 ZINC000072423692 205348593 /nfs/dbraw/zinc/34/85/93/205348593.db2.gz VNDITLWWJCPOJE-ZRGWGRIASA-N 1 0 398.486 2.585 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccn(C(F)F)n1 ZINC000082098486 205384995 /nfs/dbraw/zinc/38/49/95/205384995.db2.gz CAFSSFLFXQKZCL-UHFFFAOYSA-N 1 0 378.427 2.553 50 0 GFAARO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)NC3=O)C2)cc1OCc1ccccc1 ZINC000082115359 205386662 /nfs/dbraw/zinc/38/66/62/205386662.db2.gz XWKDAIPPZLROSM-QFIPXVFZSA-N 1 0 380.444 2.513 50 0 GFAARO CC(=O)NCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095357997 205443770 /nfs/dbraw/zinc/44/37/70/205443770.db2.gz VDODOUQMJRDTSD-HXUWFJFHSA-N 1 0 383.536 2.773 50 0 GFAARO Cc1cc(C(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000131255828 205693227 /nfs/dbraw/zinc/69/32/27/205693227.db2.gz KXMFLUSKVDCWHM-FUHWJXTLSA-N 1 0 377.492 2.917 50 0 GFAARO CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(N3CC[NH2+]CC3)nn2)cc1 ZINC000027988934 206026587 /nfs/dbraw/zinc/02/65/87/206026587.db2.gz AJBUSMSBQPYWIQ-UHFFFAOYSA-N 1 0 399.495 2.746 50 0 GFAARO CC(=O)N[C@H](CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000225462161 206048497 /nfs/dbraw/zinc/04/84/97/206048497.db2.gz DZCRISVAEFNDDJ-DNVCBOLYSA-N 1 0 395.931 2.524 50 0 GFAARO COCCN1CC(=O)N(C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccc(Cl)c2)C1=O ZINC000225557782 206057011 /nfs/dbraw/zinc/05/70/11/206057011.db2.gz GQRLDGJQMFOVPI-MAUKXSAKSA-N 1 0 379.888 2.634 50 0 GFAARO Cc1cccc(NC(=O)C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1C ZINC000225574995 206059142 /nfs/dbraw/zinc/05/91/42/206059142.db2.gz ZGKXAFUSOBWAFC-QGZVFWFLSA-N 1 0 375.538 2.576 50 0 GFAARO CCc1nc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000230181346 206111557 /nfs/dbraw/zinc/11/15/57/206111557.db2.gz OOVGUAKWNFSNQL-HXUWFJFHSA-N 1 0 376.570 2.614 50 0 GFAARO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@H](C)O1 ZINC000241657589 206129904 /nfs/dbraw/zinc/12/99/04/206129904.db2.gz PXNHVQLROSGRQR-CALCHBBNSA-N 1 0 384.524 2.920 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000241946764 206129935 /nfs/dbraw/zinc/12/99/35/206129935.db2.gz UNTFEAMVVWHIOG-UHFFFAOYSA-N 1 0 384.446 2.651 50 0 GFAARO [NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000299799542 206192587 /nfs/dbraw/zinc/19/25/87/206192587.db2.gz HCBJBIPTLMWDMZ-MRXNPFEDSA-N 1 0 387.505 2.510 50 0 GFAARO CCCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCC(C)CC4)n3n2)CC1 ZINC000065311616 136163099 /nfs/dbraw/zinc/16/30/99/136163099.db2.gz DGEQQYJVGWCGPF-UHFFFAOYSA-N 1 0 385.560 2.587 50 0 GFAARO CCCC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OCC)cc3)c(N)n2)CC1 ZINC000071772250 136166542 /nfs/dbraw/zinc/16/65/42/136166542.db2.gz AUMDARBVAMVRDP-UHFFFAOYSA-N 1 0 398.511 2.632 50 0 GFAARO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCC(=O)[O-])C2)c2ccccc2[nH+]1 ZINC000091694053 136177141 /nfs/dbraw/zinc/17/71/41/136177141.db2.gz OBLVOSUCDFSRDI-XLIONFOSSA-N 1 0 383.492 2.935 50 0 GFAARO Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCC(=O)[O-])C3)c2c1 ZINC000095369727 136178401 /nfs/dbraw/zinc/17/84/01/136178401.db2.gz GMRILFWPHABATA-NQIIRXRSSA-N 1 0 396.535 2.850 50 0 GFAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc(N(C)C)[nH+]1 ZINC000095504998 136180082 /nfs/dbraw/zinc/18/00/82/136180082.db2.gz BTEMXEBTOGPLKD-HNNXBMFYSA-N 1 0 383.525 2.936 50 0 GFAARO CC(C)=CC[N@@H+]1CCN(c2nccc(-c3ccc(C)nc3C)n2)C[C@@H]1CCO ZINC000106984346 136191603 /nfs/dbraw/zinc/19/16/03/136191603.db2.gz VKZNJRAGRLHSRA-IBGZPJMESA-N 1 0 381.524 2.995 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000007101623 136195387 /nfs/dbraw/zinc/19/53/87/136195387.db2.gz XJDDAWJYLZFJJL-UHFFFAOYSA-N 1 0 384.505 2.654 50 0 GFAARO CN(C)c1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cn[nH+]1 ZINC000206724234 136199363 /nfs/dbraw/zinc/19/93/63/136199363.db2.gz QGUFCTBQZFTELH-UHFFFAOYSA-N 1 0 394.401 2.916 50 0 GFAARO COc1ccc(-c2cc(=O)[nH]c(-c3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)n2)cc1 ZINC000023505002 523090486 /nfs/dbraw/zinc/09/04/86/523090486.db2.gz HWLQGUIWURBTHA-GOSISDBHSA-N 1 0 377.444 2.679 50 0 GFAARO COc1ccccc1N1C[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000032730246 524580083 /nfs/dbraw/zinc/58/00/83/524580083.db2.gz LEXRYNGFDKXHDK-QFBILLFUSA-N 1 0 399.466 2.606 50 0 GFAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1 ZINC000426374171 534810197 /nfs/dbraw/zinc/81/01/97/534810197.db2.gz KFZQPJSBRVSTGR-UHFFFAOYSA-N 1 0 382.464 2.693 50 0 GFAARO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000426419943 526307066 /nfs/dbraw/zinc/30/70/66/526307066.db2.gz ATPBWWYTBQBJMI-OAQYLSRUSA-N 1 0 375.488 2.555 50 0 GFAARO CC[NH+](CC)CCN(C)Cc1cc(I)c(O)c(OC)c1 ZINC000019632604 551114673 /nfs/dbraw/zinc/11/46/73/551114673.db2.gz MBLLBCYBGZULOK-UHFFFAOYSA-N 1 0 392.281 2.779 50 0 GFAARO CCc1c(C(=O)N2CC[C@@H](C[NH2+]C)C2)cnn1-c1ccc(Br)cc1 ZINC000178998478 552181789 /nfs/dbraw/zinc/18/17/89/552181789.db2.gz YHQVJBXHGYEWTI-ZDUSSCGKSA-N 1 0 391.313 2.879 50 0 GFAARO O=S(=O)(Cc1ccccc1Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225564456 553059705 /nfs/dbraw/zinc/05/97/05/553059705.db2.gz VFLKPJXQGWJURN-UHFFFAOYSA-N 1 0 386.945 2.650 50 0 GFAARO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]1c1cccs1 ZINC000245237840 553089489 /nfs/dbraw/zinc/08/94/89/553089489.db2.gz YZYFIQSNJHANAG-DOMZBBRYSA-N 1 0 379.507 2.560 50 0 GFAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C)c2Cl)C1 ZINC000670452819 565723733 /nfs/dbraw/zinc/72/37/33/565723733.db2.gz YJGGAVRMKSXKBT-LBPRGKRZSA-N 1 0 381.325 2.548 50 0 GFAARO CC(=O)Nc1ccc2nc(CN3CC[N@@H+](CC(C)C)[C@@H](CCO)C3)ccc2c1 ZINC000019835701 570223510 /nfs/dbraw/zinc/22/35/10/570223510.db2.gz PAEWQLQHKPCFDI-NRFANRHFSA-N 1 0 384.524 2.718 50 0 GFAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000015773620 570241168 /nfs/dbraw/zinc/24/11/68/570241168.db2.gz AKLYEHOGZNYYBX-NRFANRHFSA-N 1 0 379.504 2.993 50 0 GFAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3sccc3C)C2=O)cc1 ZINC000020168819 570245728 /nfs/dbraw/zinc/24/57/28/570245728.db2.gz AGTHZVGZYRKFNU-INIZCTEOSA-N 1 0 386.473 2.697 50 0 GFAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000020254827 570250171 /nfs/dbraw/zinc/25/01/71/570250171.db2.gz CKSJPRYONOCPHC-KRWDZBQOSA-N 1 0 382.489 2.904 50 0 GFAARO O=C(NC[C@]1(O)CCC[NH2+]C1)c1cccc(-c2ccc(-c3ccno3)cc2)c1 ZINC000584903263 570270400 /nfs/dbraw/zinc/27/04/00/570270400.db2.gz AFWPUSXDOUPWSK-QFIPXVFZSA-N 1 0 377.444 2.853 50 0 GFAARO Cc1ccc(OCCN(C)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000584901518 570271154 /nfs/dbraw/zinc/27/11/54/570271154.db2.gz MWUWTRGETWPFAK-HXUWFJFHSA-N 1 0 375.513 2.659 50 0 GFAARO CCC(=O)NC1=NC2=[NH+]C(c3ccccc3)=C[C@H](c3ccc(OC)cc3)N2N1 ZINC000100486283 570272711 /nfs/dbraw/zinc/27/27/11/570272711.db2.gz JCSJMXLBPAWZON-GOSISDBHSA-N 1 0 375.432 2.849 50 0 GFAARO Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)NCCC[NH+](C)C)cc1 ZINC000002065390 570273156 /nfs/dbraw/zinc/27/31/56/570273156.db2.gz YJCNSSMOUSTLCC-HMMYKYKNSA-N 1 0 383.467 2.973 50 0 GFAARO O=C1[C@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002183627 570277836 /nfs/dbraw/zinc/27/78/36/570277836.db2.gz NCQGMLSCJCEBNE-GOSISDBHSA-N 1 0 390.915 2.669 50 0 GFAARO CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000095939905 570277957 /nfs/dbraw/zinc/27/79/57/570277957.db2.gz RAIHKZXWWZJDLC-SECBINFHSA-N 1 0 379.301 2.685 50 0 GFAARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000015861285 570278284 /nfs/dbraw/zinc/27/82/84/570278284.db2.gz BAPXTDOFXQCGCQ-AWEZNQCLSA-N 1 0 394.566 2.824 50 0 GFAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000015864092 570279803 /nfs/dbraw/zinc/27/98/03/570279803.db2.gz WDCVKHYCDIAETF-UHFFFAOYSA-N 1 0 396.329 2.513 50 0 GFAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc1 ZINC000020920088 570284948 /nfs/dbraw/zinc/28/49/48/570284948.db2.gz HGQRCIHTMMIJAW-DNQXCXABSA-N 1 0 394.563 2.637 50 0 GFAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012902676 570287916 /nfs/dbraw/zinc/28/79/16/570287916.db2.gz DYEHXHHMFKVJLY-INIZCTEOSA-N 1 0 381.476 2.748 50 0 GFAARO O=C(c1csc(-c2cccs2)n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022789741 570327898 /nfs/dbraw/zinc/32/78/98/570327898.db2.gz PDHURDRVSOKBAZ-UHFFFAOYSA-N 1 0 376.551 2.725 50 0 GFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(OC)c1OC ZINC000022919428 570335666 /nfs/dbraw/zinc/33/56/66/570335666.db2.gz YNISJVBQUPLRNJ-SFHVURJKSA-N 1 0 378.513 2.524 50 0 GFAARO CCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCC[NH+]3CCCC3)cc21 ZINC000034836128 570335792 /nfs/dbraw/zinc/33/57/92/570335792.db2.gz ADGQJTRSEQBNOC-UHFFFAOYSA-N 1 0 385.508 2.736 50 0 GFAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000218829267 570341760 /nfs/dbraw/zinc/34/17/60/570341760.db2.gz XCZPLKLSPFTTJK-XAFBZQIESA-N 1 0 381.455 2.757 50 0 GFAARO COc1cccc(C[NH2+]C[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)c1 ZINC000023248863 570352169 /nfs/dbraw/zinc/35/21/69/570352169.db2.gz QZVCGHUOFYLDRJ-HXUWFJFHSA-N 1 0 386.492 2.876 50 0 GFAARO O=C(NCc1ccccn1)C1CC[NH+](C[C@@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000023251329 570352799 /nfs/dbraw/zinc/35/27/99/570352799.db2.gz ZIZVLJMOYHHLFK-QHCPKHFHSA-N 1 0 397.494 2.907 50 0 GFAARO COc1cccc(N2CCC([N@@H+]3CCC[C@@H](N4CCC(CO)CC4)C3)CC2)c1 ZINC000023374531 570358274 /nfs/dbraw/zinc/35/82/74/570358274.db2.gz IXQMMZHSJRRFCV-JOCHJYFZSA-N 1 0 387.568 2.833 50 0 GFAARO O=C(NCCSc1c[nH]nn1)c1ccc([C@@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000023379945 570358895 /nfs/dbraw/zinc/35/88/95/570358895.db2.gz BRWKWZRLAUZQSD-ZDUSSCGKSA-N 1 0 377.539 2.935 50 0 GFAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000023731602 570370311 /nfs/dbraw/zinc/37/03/11/570370311.db2.gz QVXMEHZHEUAXPZ-UHFFFAOYSA-N 1 0 389.459 2.757 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024389532 570383104 /nfs/dbraw/zinc/38/31/04/570383104.db2.gz IZWMXPGSWATHHT-FQEVSTJZSA-N 1 0 383.492 2.946 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1cccs1 ZINC000024574731 570386419 /nfs/dbraw/zinc/38/64/19/570386419.db2.gz ZZNDMDGYSBFSCW-SJORKVTESA-N 1 0 384.505 2.702 50 0 GFAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(OC)c1 ZINC000024711453 570390104 /nfs/dbraw/zinc/39/01/04/570390104.db2.gz DODDKXVOQUMVCO-KRWDZBQOSA-N 1 0 381.498 2.661 50 0 GFAARO C[C@H](C(=O)NCC[NH+]1CCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561940 570397026 /nfs/dbraw/zinc/39/70/26/570397026.db2.gz PNVJPBOXQVAJHL-KRWDZBQOSA-N 1 0 396.535 2.868 50 0 GFAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025421840 570413535 /nfs/dbraw/zinc/41/35/35/570413535.db2.gz GSJXBQILYNSHQO-IAGOWNOFSA-N 1 0 389.521 2.550 50 0 GFAARO Cc1cccc2c(=O)n(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cnc12 ZINC000013002711 570414371 /nfs/dbraw/zinc/41/43/71/570414371.db2.gz GPYBPMSJDRIDKY-FQEVSTJZSA-N 1 0 390.487 2.658 50 0 GFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCc3nc(-c4ccccc4)cs3)nn2)CC1 ZINC000244748697 570433613 /nfs/dbraw/zinc/43/36/13/570433613.db2.gz OMPOMLUNIGVYHJ-GASCZTMLSA-N 1 0 382.493 2.774 50 0 GFAARO CN1CC[NH+](C2(CNC(=O)c3ccc(Br)o3)CCCCC2)CC1 ZINC000027742180 570441307 /nfs/dbraw/zinc/44/13/07/570441307.db2.gz KDJNPLVARIVLKO-UHFFFAOYSA-N 1 0 384.318 2.722 50 0 GFAARO CCCCc1noc([C@H](C)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000072293180 570494321 /nfs/dbraw/zinc/49/43/21/570494321.db2.gz MKTWHISHXVPAPQ-INIZCTEOSA-N 1 0 393.576 2.889 50 0 GFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000032498018 570510924 /nfs/dbraw/zinc/51/09/24/570510924.db2.gz RMHSUUVOQGDFMJ-UHFFFAOYSA-N 1 0 379.508 2.667 50 0 GFAARO CC(=O)N(c1nc(CN2CCC(CC[NH+]3CCOCC3)CC2)cs1)C1CC1 ZINC000364807426 570602213 /nfs/dbraw/zinc/60/22/13/570602213.db2.gz WDUKAXSPSWOQIK-UHFFFAOYSA-N 1 0 392.569 2.593 50 0 GFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCc1cnccn1 ZINC000012056449 570602465 /nfs/dbraw/zinc/60/24/65/570602465.db2.gz QSRKYTUIGWKIFJ-UHFFFAOYSA-N 1 0 384.499 2.961 50 0 GFAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2)s1 ZINC000033022456 570648050 /nfs/dbraw/zinc/64/80/50/570648050.db2.gz NTHVHRMRADZFGQ-UHFFFAOYSA-N 1 0 387.509 2.569 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)C2=C(C)OCCO2)CC1 ZINC000012386043 570650709 /nfs/dbraw/zinc/65/07/09/570650709.db2.gz PCBCKJCNYZMYLQ-UHFFFAOYSA-N 1 0 388.508 2.686 50 0 GFAARO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012431543 570659511 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2.973 50 0 GFAARO CCCC[N@H+](C)CCCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 ZINC000004686317 204063827 /nfs/dbraw/zinc/06/38/27/204063827.db2.gz JHRDNLMTMYXMRE-UHFFFAOYSA-N 1 0 389.540 2.948 50 0 GFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2)N(CC[NH+](C)C)C1=O ZINC000005350539 204128430 /nfs/dbraw/zinc/12/84/30/204128430.db2.gz BQPBWDFVHXCMDY-LJQANCHMSA-N 1 0 378.428 2.908 50 0 GFAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O ZINC000005034308 204105199 /nfs/dbraw/zinc/10/51/99/204105199.db2.gz CQODBKOOIPULNO-HZPDHXFCSA-N 1 0 396.491 2.912 50 0 GFAARO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CCCCC2)ccc1Cl ZINC000006050725 204162599 /nfs/dbraw/zinc/16/25/99/204162599.db2.gz KTHZFCSGNMHTFH-UHFFFAOYSA-N 1 0 387.933 2.793 50 0 GFAARO COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000006785987 204205949 /nfs/dbraw/zinc/20/59/49/204205949.db2.gz HGLWGQNTCZOZJW-HXUWFJFHSA-N 1 0 399.466 2.517 50 0 GFAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000006798510 204207073 /nfs/dbraw/zinc/20/70/73/204207073.db2.gz LAEANQSGLJQPCO-SFHVURJKSA-N 1 0 387.524 2.963 50 0 GFAARO O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCC1 ZINC000008310469 204270908 /nfs/dbraw/zinc/27/09/08/204270908.db2.gz PBDQXBLJKYQBHZ-KRWDZBQOSA-N 1 0 387.480 2.753 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Br ZINC000009981435 204329454 /nfs/dbraw/zinc/32/94/54/204329454.db2.gz VIGCNWMLLYVJSZ-OAHLLOKOSA-N 1 0 397.313 2.529 50 0 GFAARO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+](C)Cc3cccc(SC)c3)C2)cc1 ZINC000011838278 204356200 /nfs/dbraw/zinc/35/62/00/204356200.db2.gz BGHOMGCMGJBKIW-PMACEKPBSA-N 1 0 386.517 2.734 50 0 GFAARO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc21 ZINC000011938551 204363781 /nfs/dbraw/zinc/36/37/81/204363781.db2.gz FNGAQVHDYCUWIB-LJQANCHMSA-N 1 0 382.552 2.945 50 0 GFAARO COc1cc(C(=O)N[C@@H](C)c2cn(C)nc2C)ccc1OC1CC[NH+](C)CC1 ZINC000012028283 204367839 /nfs/dbraw/zinc/36/78/39/204367839.db2.gz AKBJVJOSKMYKHI-AWEZNQCLSA-N 1 0 386.496 2.701 50 0 GFAARO CCc1c(C(=O)NCc2ccccn2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000012035044 204368790 /nfs/dbraw/zinc/36/87/90/204368790.db2.gz RKIFWXQTMMJXMZ-GOSISDBHSA-N 1 0 382.508 2.528 50 0 GFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCN1CCCC1=O ZINC000012195106 204381274 /nfs/dbraw/zinc/38/12/74/204381274.db2.gz CYWYYAQINWFVLN-UHFFFAOYSA-N 1 0 389.515 2.551 50 0 GFAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N[C@@H]2CCOC2)c1 ZINC000012304620 204392394 /nfs/dbraw/zinc/39/23/94/204392394.db2.gz FJSWSGNGVSLGHV-LJQANCHMSA-N 1 0 395.503 2.952 50 0 GFAARO O=C(NC[C@H]1CCC[N@@H+](C2CSCCSC2)C1)c1[nH]nc2ccccc21 ZINC000012303247 204393695 /nfs/dbraw/zinc/39/36/95/204393695.db2.gz LYHPVIAEPQEOFV-CQSZACIVSA-N 1 0 390.578 2.853 50 0 GFAARO CC[NH+]1CCC(N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccc3)C2)CC1 ZINC000014534571 204535750 /nfs/dbraw/zinc/53/57/50/204535750.db2.gz CJNJLVIILFQIKA-JOCHJYFZSA-N 1 0 387.568 2.856 50 0 GFAARO Cc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)c1 ZINC000014754411 204541979 /nfs/dbraw/zinc/54/19/79/204541979.db2.gz NUTJZNBHBUGYQV-QGZVFWFLSA-N 1 0 384.549 2.565 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3nc4ccccc4[nH]3)CC2)C1 ZINC000015061570 204555486 /nfs/dbraw/zinc/55/54/86/204555486.db2.gz PDPBXNFPOCWDAZ-MRXNPFEDSA-N 1 0 381.524 2.518 50 0 GFAARO COc1ccc(C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1C ZINC000015067084 204558397 /nfs/dbraw/zinc/55/83/97/204558397.db2.gz NJJJXGDBUICGSF-UHFFFAOYSA-N 1 0 385.512 2.818 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773964 204575679 /nfs/dbraw/zinc/57/56/79/204575679.db2.gz YCTWZRREBSTJNL-OAQYLSRUSA-N 1 0 377.488 2.860 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000299738860 205093355 /nfs/dbraw/zinc/09/33/55/205093355.db2.gz HJXMNYDKKVXNGY-CQSZACIVSA-N 1 0 381.314 2.565 50 0 GFAARO Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000047015071 205107957 /nfs/dbraw/zinc/10/79/57/205107957.db2.gz TVCMYWKKFVBKIS-UHFFFAOYSA-N 1 0 381.542 2.608 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1 ZINC000048287245 205117699 /nfs/dbraw/zinc/11/76/99/205117699.db2.gz SPUCDMQROYFJQD-NRFANRHFSA-N 1 0 392.503 2.940 50 0 GFAARO COc1ccccc1NC(=O)C1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000048286825 205118633 /nfs/dbraw/zinc/11/86/33/205118633.db2.gz MHHSVEFUXNLERF-GOSISDBHSA-N 1 0 398.459 2.808 50 0 GFAARO CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000053721030 205138449 /nfs/dbraw/zinc/13/84/49/205138449.db2.gz RHCOJJPJUSANIK-RHSMWYFYSA-N 1 0 378.542 2.790 50 0 GFAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)s1 ZINC000055342397 205146670 /nfs/dbraw/zinc/14/66/70/205146670.db2.gz IAKMVJWVDOBNCG-LJQANCHMSA-N 1 0 380.460 2.978 50 0 GFAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000056712237 205152489 /nfs/dbraw/zinc/15/24/89/205152489.db2.gz PEUQEIXSYPHTSX-FGTMMUONSA-N 1 0 397.523 2.780 50 0 GFAARO CC(C)Cc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000058069284 205164472 /nfs/dbraw/zinc/16/44/72/205164472.db2.gz GBFIFHNBGBWTHU-FPOVZHCZSA-N 1 0 394.581 2.817 50 0 GFAARO O=C(CNC(=O)C1CCCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000058215563 205169497 /nfs/dbraw/zinc/16/94/97/205169497.db2.gz XBKRQBRPQODKTP-UHFFFAOYSA-N 1 0 375.538 2.523 50 0 GFAARO Cn1c2ccccc2nc1-c1cc2n(n1)CCCN(C(=O)CCCCC[NH3+])C2 ZINC000065430083 205234428 /nfs/dbraw/zinc/23/44/28/205234428.db2.gz LENDGOQXUZAFLC-UHFFFAOYSA-N 1 0 380.496 2.688 50 0 GFAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000065466689 205234600 /nfs/dbraw/zinc/23/46/00/205234600.db2.gz LAKPGENGUGVJRO-UHFFFAOYSA-N 1 0 383.477 2.779 50 0 GFAARO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@@H+]2CCC(=O)NC[C@@H]2C)c1 ZINC000065526467 205235603 /nfs/dbraw/zinc/23/56/03/205235603.db2.gz NWXKQGKXXVDZKK-INIZCTEOSA-N 1 0 383.496 2.564 50 0 GFAARO O=C(Cn1c2cccnc2n(C2CCCCC2)c1=O)NCCC[NH+]1CCCCC1 ZINC000065202675 205218677 /nfs/dbraw/zinc/21/86/77/205218677.db2.gz CHLFYIMKDIXNAB-UHFFFAOYSA-N 1 0 399.539 2.695 50 0 GFAARO CCN(Cc1c(F)cccc1Cl)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067587811 205250992 /nfs/dbraw/zinc/25/09/92/205250992.db2.gz SAWOBYXJVZRSLS-CYBMUJFWSA-N 1 0 379.867 2.733 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)C1 ZINC000067640921 205252621 /nfs/dbraw/zinc/25/26/21/205252621.db2.gz NVBWEDCPEJYHCS-OAHLLOKOSA-N 1 0 378.480 2.507 50 0 GFAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccc(F)c1 ZINC000067692214 205254434 /nfs/dbraw/zinc/25/44/34/205254434.db2.gz GOZZCAFGLCXHJP-JOCHJYFZSA-N 1 0 399.441 2.998 50 0 GFAARO c1nn2cc(CN3CCC([NH+]4CCOCC4)CC3)cnc2c1-c1ccccc1 ZINC000067714518 205255976 /nfs/dbraw/zinc/25/59/76/205255976.db2.gz OHKNVWRMHOTSEI-UHFFFAOYSA-N 1 0 377.492 2.693 50 0 GFAARO CCNC(=O)[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000067770184 205258871 /nfs/dbraw/zinc/25/88/71/205258871.db2.gz ANTNIORPDNASBI-INIZCTEOSA-N 1 0 383.496 2.605 50 0 GFAARO C[NH2+]CC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067784463 205260864 /nfs/dbraw/zinc/26/08/64/205260864.db2.gz UKIRVIZJOZDUGJ-UHFFFAOYSA-N 1 0 390.875 2.563 50 0 GFAARO Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000067818315 205261834 /nfs/dbraw/zinc/26/18/34/205261834.db2.gz MVLWDNJNNVVXLX-SFHVURJKSA-N 1 0 382.508 2.548 50 0 GFAARO Cc1nn(C)cc1C[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067872808 205266493 /nfs/dbraw/zinc/26/64/93/205266493.db2.gz IKPPFPGELDFUCT-HSZRJFAPSA-N 1 0 398.551 2.837 50 0 GFAARO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)cc(OC)c1 ZINC000068239985 205271632 /nfs/dbraw/zinc/27/16/32/205271632.db2.gz XFAUCXDPIWLJFM-QGZVFWFLSA-N 1 0 392.496 2.584 50 0 GFAARO C[C@H](C[NH3+])C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067491223 205248168 /nfs/dbraw/zinc/24/81/68/205248168.db2.gz ZBRHLWPOYQXDKC-GFCCVEGCSA-N 1 0 383.473 2.985 50 0 GFAARO CN1CC[N@H+](C)CC12CCN(c1nc(-c3ccccc3)nc3c1CCC3)CC2 ZINC000067458964 205248225 /nfs/dbraw/zinc/24/82/25/205248225.db2.gz IDPLRPWGAQIBSZ-UHFFFAOYSA-N 1 0 377.536 2.849 50 0 GFAARO CC(C)[C@@H]1C[N@H+](CCN2CCCC2=O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747832 205288793 /nfs/dbraw/zinc/28/87/93/205288793.db2.gz OCHNOHYFCNYGCT-IBGZPJMESA-N 1 0 375.488 2.507 50 0 GFAARO CO[C@H]1CN(C(=O)c2ccc(-c3cn(-c4ccccc4)cn3)cc2)CC[C@H]1[NH3+] ZINC000071764093 205295530 /nfs/dbraw/zinc/29/55/30/205295530.db2.gz DOEWDKJFHRQDLE-CTNGQTDRSA-N 1 0 376.460 2.728 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC[N@H+](C)CC1 ZINC000071764322 205295559 /nfs/dbraw/zinc/29/55/59/205295559.db2.gz AJJGTCAOFWNWJK-UHFFFAOYSA-N 1 0 391.519 2.744 50 0 GFAARO COc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071775580 205296397 /nfs/dbraw/zinc/29/63/97/205296397.db2.gz SORUCCAIKSHSGD-LJQANCHMSA-N 1 0 399.535 2.634 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000071844052 205298553 /nfs/dbraw/zinc/29/85/53/205298553.db2.gz LLDJRXPUMIXQPJ-HXUWFJFHSA-N 1 0 377.488 2.919 50 0 GFAARO CCn1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072146758 205310935 /nfs/dbraw/zinc/31/09/35/205310935.db2.gz XVFGTUHEGZOHBL-VLCRHTCISA-N 1 0 380.492 2.694 50 0 GFAARO Cc1ncc(C(=O)N2CCC[C@@H](N(C)CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000072170253 205316248 /nfs/dbraw/zinc/31/62/48/205316248.db2.gz ZYTLNWDDDCWDEJ-LJQANCHMSA-N 1 0 381.524 2.550 50 0 GFAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3)[nH+]c(C)n2)c1C ZINC000072446884 205352481 /nfs/dbraw/zinc/35/24/81/205352481.db2.gz JIBINGZQMZNNMN-UHFFFAOYSA-N 1 0 383.431 2.960 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2cc(C(C)C)nn2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072480548 205355027 /nfs/dbraw/zinc/35/50/27/205355027.db2.gz CUKXOKVVJGGSIU-UXHICEINSA-N 1 0 382.508 2.664 50 0 GFAARO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077489662 205364151 /nfs/dbraw/zinc/36/41/51/205364151.db2.gz BCSHOURDMTWBHR-IBGZPJMESA-N 1 0 379.508 2.877 50 0 GFAARO CCC(CC)CN1CC2(CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)OC1=O ZINC000077342895 205358989 /nfs/dbraw/zinc/35/89/89/205358989.db2.gz OLKUFWCWTWIRLQ-XDNAFOTISA-N 1 0 377.529 2.609 50 0 GFAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2cccnc2N)CC3)c1 ZINC000077340173 205359744 /nfs/dbraw/zinc/35/97/44/205359744.db2.gz RZEVTHYYAKUBHF-UHFFFAOYSA-N 1 0 380.492 2.687 50 0 GFAARO Cc1ccc(-c2cccc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c2)o1 ZINC000077406761 205361494 /nfs/dbraw/zinc/36/14/94/205361494.db2.gz GDSLFHYHMODTLQ-JOCHJYFZSA-N 1 0 384.476 2.554 50 0 GFAARO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000072418892 205346987 /nfs/dbraw/zinc/34/69/87/205346987.db2.gz WLBZRUWFJYVVOD-GOSISDBHSA-N 1 0 385.475 2.894 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)C1CC1 ZINC000084325622 205394176 /nfs/dbraw/zinc/39/41/76/205394176.db2.gz ILPLZQKGHWRKIS-GOSISDBHSA-N 1 0 397.523 2.700 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)s1 ZINC000082091196 205385779 /nfs/dbraw/zinc/38/57/79/205385779.db2.gz XCKKRWXBXODYMG-QGZVFWFLSA-N 1 0 389.565 2.996 50 0 GFAARO O=C(N[C@@H]1CCCC[N@H+](Cc2ccc3ccccc3c2)C1)C1=NNC(=O)CC1 ZINC000082120447 205388477 /nfs/dbraw/zinc/38/84/77/205388477.db2.gz OJBASZDPRWJJCH-LJQANCHMSA-N 1 0 378.476 2.577 50 0 GFAARO Cc1coc(-c2cccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c2)n1 ZINC000084265441 205393062 /nfs/dbraw/zinc/39/30/62/205393062.db2.gz RMLQWTVADKREJP-SFHVURJKSA-N 1 0 384.480 2.921 50 0 GFAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000091858883 205426859 /nfs/dbraw/zinc/42/68/59/205426859.db2.gz PUQKGLCCFHTLQV-UXHICEINSA-N 1 0 382.504 2.898 50 0 GFAARO O=c1cc(C[NH2+]C2CCN(c3nc4ccc(Cl)cc4s3)CC2)nc[nH]1 ZINC000095504346 205474339 /nfs/dbraw/zinc/47/43/39/205474339.db2.gz GPNZOPOVQRFALQ-UHFFFAOYSA-N 1 0 375.885 2.792 50 0 GFAARO O=C(Cn1cnc2c(c1=O)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000049400711 205671214 /nfs/dbraw/zinc/67/12/14/205671214.db2.gz VEQHAHSPPHKBRA-UHFFFAOYSA-N 1 0 392.434 2.579 50 0 GFAARO CC(C)n1nnc(-c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC000170613725 205855679 /nfs/dbraw/zinc/85/56/79/205855679.db2.gz STNZFIIMNWEGQU-OALUTQOASA-N 1 0 382.512 2.915 50 0 GFAARO CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000096096811 206113695 /nfs/dbraw/zinc/11/36/95/206113695.db2.gz XMFLNAWZDHMRRD-QGZVFWFLSA-N 1 0 399.516 2.701 50 0 GFAARO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1)[C@]1(C)CCCO1 ZINC000239636961 206124028 /nfs/dbraw/zinc/12/40/28/206124028.db2.gz BHUSKJQLELFQKN-ZNUVSDCZSA-N 1 0 396.535 2.998 50 0 GFAARO O=C1OCC[C@@H]1N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252484290 206137708 /nfs/dbraw/zinc/13/77/08/206137708.db2.gz FTSGZPRKEAOGNE-SFHVURJKSA-N 1 0 397.441 2.607 50 0 GFAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)Cc2cc(-c3cccnc3)no2)n1 ZINC000244873605 206131847 /nfs/dbraw/zinc/13/18/47/206131847.db2.gz WSVLRMMLYWJUPS-SHTZXODSSA-N 1 0 380.452 2.514 50 0 GFAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C4CCOCC4)CC3)CC2)n1 ZINC000245053563 206133260 /nfs/dbraw/zinc/13/32/60/206133260.db2.gz PADZHDSRUYKMNM-UHFFFAOYSA-N 1 0 398.473 2.866 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000299754356 206184704 /nfs/dbraw/zinc/18/47/04/206184704.db2.gz CQEABHXMZGKDIQ-LPHOPBHVSA-N 1 0 382.508 2.991 50 0 GFAARO COc1ccc(C[NH+]2CCC3(CC[C@H](CNS(=O)(=O)C(C)C)O3)CC2)cc1 ZINC000299757417 206185226 /nfs/dbraw/zinc/18/52/26/206185226.db2.gz HDBDEWRMCWHVIR-LJQANCHMSA-N 1 0 396.553 2.537 50 0 GFAARO O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299766809 206185842 /nfs/dbraw/zinc/18/58/42/206185842.db2.gz FXEGPCTYBYRXIV-WMLDXEAASA-N 1 0 376.888 2.792 50 0 GFAARO Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(Cl)cc3OCCC[NH3+])C2)n1 ZINC000299768053 206186977 /nfs/dbraw/zinc/18/69/77/206186977.db2.gz IGCVIQFXHPQFKD-INIZCTEOSA-N 1 0 376.888 2.968 50 0 GFAARO COc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C1=O ZINC000005274581 206216560 /nfs/dbraw/zinc/21/65/60/206216560.db2.gz DZPPHJJXECWPPS-SFHVURJKSA-N 1 0 377.444 2.949 50 0 GFAARO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000012075325 221148223 /nfs/dbraw/zinc/14/82/23/221148223.db2.gz MJSWGIUSMCULJR-QGZVFWFLSA-N 1 0 387.455 2.860 50 0 GFAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cc(C(=O)N(CC)CC)nn2)C1 ZINC000012122935 221156092 /nfs/dbraw/zinc/15/60/92/221156092.db2.gz KADHQBFSMASLBK-GOSISDBHSA-N 1 0 385.512 2.996 50 0 GFAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ncccn4)C3)C2=O)c1OC ZINC000426550391 533478721 /nfs/dbraw/zinc/47/87/21/533478721.db2.gz ITKPFKQMBLEKAZ-JOCHJYFZSA-N 1 0 396.491 2.509 50 0 GFAARO COc1ccc(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000426649684 533484902 /nfs/dbraw/zinc/48/49/02/533484902.db2.gz NTFGZOBRQRXMBS-SFHVURJKSA-N 1 0 375.513 2.764 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000065363790 136163455 /nfs/dbraw/zinc/16/34/55/136163455.db2.gz KCOVLNBABYPFBP-UHFFFAOYSA-N 1 0 393.413 2.832 50 0 GFAARO CC(C)c1cncnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071712159 136165684 /nfs/dbraw/zinc/16/56/84/136165684.db2.gz GUAXSIXJKBJDDM-GOSISDBHSA-N 1 0 385.556 2.903 50 0 GFAARO Cc1nc2sccc2c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071774687 136166710 /nfs/dbraw/zinc/16/67/10/136166710.db2.gz GTXINIHSUXBSSF-OAHLLOKOSA-N 1 0 399.564 2.959 50 0 GFAARO O=C(CCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O)NC1CCCCCC1 ZINC000082115935 136173757 /nfs/dbraw/zinc/17/37/57/136173757.db2.gz VXWQWNOAENMSDW-UHFFFAOYSA-N 1 0 384.524 2.796 50 0 GFAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc(N(C)C)[nH+]1 ZINC000095521587 136181125 /nfs/dbraw/zinc/18/11/25/136181125.db2.gz ALMPRLSOGSVUFP-SFHVURJKSA-N 1 0 377.496 2.875 50 0 GFAARO COC(=O)c1cncc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096138301 136184367 /nfs/dbraw/zinc/18/43/67/136184367.db2.gz OCSJUWYEYRKOTC-SFHVURJKSA-N 1 0 380.492 2.969 50 0 GFAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387303 136186792 /nfs/dbraw/zinc/18/67/92/136186792.db2.gz NZQXAKLWNPVQHB-MSOLQXFVSA-N 1 0 396.539 2.622 50 0 GFAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC[C@H](C)c2ccccc2)CC1 ZINC000022608959 136204257 /nfs/dbraw/zinc/20/42/57/136204257.db2.gz KIFPRKKBHVXVKI-PZJWPPBQSA-N 1 0 384.520 2.998 50 0 GFAARO O=C(c1coc(COc2cccc3cccnc32)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000071315005 222180290 /nfs/dbraw/zinc/18/02/90/222180290.db2.gz CBZYJDPBLGQCKP-MRXNPFEDSA-N 1 0 378.432 2.722 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H]3CCC[N@@H+](C)C3)csc2C1 ZINC000426489881 534364628 /nfs/dbraw/zinc/36/46/28/534364628.db2.gz HXVBXBQKZJBIJK-HNNXBMFYSA-N 1 0 388.537 2.735 50 0 GFAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000012612452 519728812 /nfs/dbraw/zinc/72/88/12/519728812.db2.gz XGVZLSLEOGAXKM-JOCHJYFZSA-N 1 0 393.531 2.781 50 0 GFAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCc3ncccc3C2)nc1 ZINC000067786273 536356900 /nfs/dbraw/zinc/35/69/00/536356900.db2.gz AMQOXMXBBXMSGL-IBGZPJMESA-N 1 0 379.508 2.644 50 0 GFAARO O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[NH2+]CC1 ZINC000020432366 551115370 /nfs/dbraw/zinc/11/53/70/551115370.db2.gz XPYVPGQBQGQUHO-UHFFFAOYSA-N 1 0 388.114 2.740 50 0 GFAARO CC[NH+]1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441808 551115842 /nfs/dbraw/zinc/11/58/42/551115842.db2.gz UOIPUVKKBLCBKB-QZTJIDSGSA-N 1 0 385.961 2.567 50 0 GFAARO C[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2ccsc2CC3)CC1 ZINC000021043489 551116010 /nfs/dbraw/zinc/11/60/10/551116010.db2.gz DYJUHIWIDWDOLB-UHFFFAOYSA-N 1 0 375.563 2.943 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000237208998 553075926 /nfs/dbraw/zinc/07/59/26/553075926.db2.gz WWNSAIQMFCKKGV-JTQLQIEISA-N 1 0 381.723 2.723 50 0 GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000328596450 563460735 /nfs/dbraw/zinc/46/07/35/563460735.db2.gz QPMGMKZZWFCZDK-GHMZBOCLSA-N 1 0 378.270 2.902 50 0 GFAARO COc1cc(Cl)c(C)cc1NC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000096132235 570211584 /nfs/dbraw/zinc/21/15/84/570211584.db2.gz MMOFPIQEQXJEHI-OAHLLOKOSA-N 1 0 381.904 2.968 50 0 GFAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000019741557 570212763 /nfs/dbraw/zinc/21/27/63/570212763.db2.gz ASEWWYIGZIOFIL-HNNXBMFYSA-N 1 0 386.448 2.797 50 0 GFAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)COc3ccccc3)CC2)[C@H]1O ZINC000019866990 570226438 /nfs/dbraw/zinc/22/64/38/570226438.db2.gz NAIFCUVVINGCKY-YADHBBJMSA-N 1 0 380.488 2.603 50 0 GFAARO COc1ccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(OC)c1OC ZINC000019888862 570227749 /nfs/dbraw/zinc/22/77/49/570227749.db2.gz XSGXJXLAXIQGNN-HZPDHXFCSA-N 1 0 378.513 2.786 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019889900 570227872 /nfs/dbraw/zinc/22/78/72/570227872.db2.gz YJXDCYFODFWQFP-HZPDHXFCSA-N 1 0 378.513 2.786 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000048339958 570239014 /nfs/dbraw/zinc/23/90/14/570239014.db2.gz QQRMRAOYCBSXRC-MBOZVWFJSA-N 1 0 383.536 2.792 50 0 GFAARO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000020102847 570239582 /nfs/dbraw/zinc/23/95/82/570239582.db2.gz JTOKVZZMJJMENU-UHFFFAOYSA-N 1 0 378.900 2.964 50 0 GFAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc(CC(N)=O)c1 ZINC000097532534 570245726 /nfs/dbraw/zinc/24/57/26/570245726.db2.gz JELXPTADYACKTB-UHFFFAOYSA-N 1 0 380.492 2.974 50 0 GFAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cc(-c2ccccc2O)n[nH]1 ZINC000097657347 570248894 /nfs/dbraw/zinc/24/88/94/570248894.db2.gz QFCQFVPWEDDELC-UHFFFAOYSA-N 1 0 386.521 2.872 50 0 GFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097696115 570249730 /nfs/dbraw/zinc/24/97/30/570249730.db2.gz LJPCKFHWQDYHOH-CQSZACIVSA-N 1 0 379.435 2.844 50 0 GFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097696114 570249747 /nfs/dbraw/zinc/24/97/47/570249747.db2.gz LJPCKFHWQDYHOH-AWEZNQCLSA-N 1 0 379.435 2.844 50 0 GFAARO OCC[C@H]1C[N@H+](Cc2cccc3nccnc23)CCN1Cc1ccc(F)cc1 ZINC000020255249 570250204 /nfs/dbraw/zinc/25/02/04/570250204.db2.gz NHNPTHCXTSXCDL-FQEVSTJZSA-N 1 0 380.467 2.838 50 0 GFAARO CCC(=O)Nc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C ZINC000097713707 570250790 /nfs/dbraw/zinc/25/07/90/570250790.db2.gz VTARIMREACVTBO-KRWDZBQOSA-N 1 0 388.512 2.920 50 0 GFAARO Cc1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc2sc(N)nc21 ZINC000097742910 570252707 /nfs/dbraw/zinc/25/27/07/570252707.db2.gz COAFUHZEQIOBLN-UHFFFAOYSA-N 1 0 376.551 2.840 50 0 GFAARO COc1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc(OC)c1O ZINC000020452862 570257841 /nfs/dbraw/zinc/25/78/41/570257841.db2.gz LWHQHACCCCKSHA-UHFFFAOYSA-N 1 0 380.448 2.726 50 0 GFAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104491596 570259258 /nfs/dbraw/zinc/25/92/58/570259258.db2.gz POIDVRWXZNQFTJ-HXUWFJFHSA-N 1 0 384.524 2.920 50 0 GFAARO Cc1cccc(C[N@@H+]2CCc3nc(C)n(CC(=O)NCCC(C)C)c(=O)c3C2)c1 ZINC000049400929 570263951 /nfs/dbraw/zinc/26/39/51/570263951.db2.gz IFZUYLIEFXZCDX-UHFFFAOYSA-N 1 0 396.535 2.581 50 0 GFAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2)C1CCC1 ZINC000020599927 570269593 /nfs/dbraw/zinc/26/95/93/570269593.db2.gz ZWBSDOHAYVAJDH-UHFFFAOYSA-N 1 0 393.491 2.541 50 0 GFAARO CCC[NH+]1CCN(CCNC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000020725609 570276838 /nfs/dbraw/zinc/27/68/38/570276838.db2.gz BQSRMNLINCFAPR-UHFFFAOYSA-N 1 0 384.908 2.506 50 0 GFAARO [NH3+]C[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000178541010 570312716 /nfs/dbraw/zinc/31/27/16/570312716.db2.gz KDBJAMQJNONJRS-LBPRGKRZSA-N 1 0 378.270 2.844 50 0 GFAARO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022788332 570327933 /nfs/dbraw/zinc/32/79/33/570327933.db2.gz VCMKOKXBIDEGJZ-GHTZIAJQSA-N 1 0 381.520 2.641 50 0 GFAARO O=c1n2ccccc2nn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022913318 570334335 /nfs/dbraw/zinc/33/43/35/570334335.db2.gz RQQNYUCFEZAJIY-UHFFFAOYSA-N 1 0 399.498 2.861 50 0 GFAARO CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000023962324 570340572 /nfs/dbraw/zinc/34/05/72/570340572.db2.gz UXGCFVBEMWLRLG-FQEVSTJZSA-N 1 0 399.560 2.916 50 0 GFAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CC[NH+](CC)CC2)c1=O ZINC000024022776 570342643 /nfs/dbraw/zinc/34/26/43/570342643.db2.gz IDOPVFLXJMZWKA-NRFANRHFSA-N 1 0 385.508 2.618 50 0 GFAARO O=C(NC1CCCCC1)[C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000034918795 570344963 /nfs/dbraw/zinc/34/49/63/570344963.db2.gz JZTYHRDYBKDEQX-IBGZPJMESA-N 1 0 383.536 2.948 50 0 GFAARO CC1CCC2(CC1)OC[C@H](C(=O)NC1CC[NH+](C)CC1)N2C(=O)C1CCCC1 ZINC000034920243 570345190 /nfs/dbraw/zinc/34/51/90/570345190.db2.gz VIMUJIZVCAXYKO-COFLGROHSA-N 1 0 391.556 2.521 50 0 GFAARO CCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000006264874 570353157 /nfs/dbraw/zinc/35/31/57/570353157.db2.gz DMZMXVGCMNPARZ-BVYCBKJFSA-N 1 0 390.524 2.898 50 0 GFAARO Cc1cc(C)n(-c2ccc(N3CCC([N@H+](C)C[C@@H]4COCCO4)CC3)cc2)n1 ZINC000023541232 570364694 /nfs/dbraw/zinc/36/46/94/570364694.db2.gz YMZNFWHXOFAYOR-JOCHJYFZSA-N 1 0 384.524 2.805 50 0 GFAARO O=C(NCCN1CCCOC1=O)c1ccc([C@@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000023580945 570366050 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C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000089478745 570455554 /nfs/dbraw/zinc/45/55/54/570455554.db2.gz MEUDBDWRSKGECE-ZDUSSCGKSA-N 1 0 396.459 2.505 50 0 GFAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCC(=O)NC(C)(C)C ZINC000028426903 570459500 /nfs/dbraw/zinc/45/95/00/570459500.db2.gz GMZYDAFDFCXUDR-UHFFFAOYSA-N 1 0 388.512 2.755 50 0 GFAARO CC(C)[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)[NH+](C)C ZINC000030611213 570492269 /nfs/dbraw/zinc/49/22/69/570492269.db2.gz RKSGBIFRANEPQC-IBGZPJMESA-N 1 0 384.524 2.829 50 0 GFAARO CC[NH+](CC)CCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000002990400 570526832 /nfs/dbraw/zinc/52/68/32/570526832.db2.gz CTAQNDUYORWAHH-UHFFFAOYSA-N 1 0 378.476 2.522 50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)CN1C1Cc2ccccc2C1 ZINC000032576600 570619559 /nfs/dbraw/zinc/61/95/59/570619559.db2.gz WVMDFBQFHOXWCP-GGAORHGYSA-N 1 0 377.532 2.749 50 0 GFAARO COC(=O)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1 ZINC000012387065 570651910 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COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)cc1 ZINC000013545275 570756990 /nfs/dbraw/zinc/75/69/90/570756990.db2.gz FTUXJDNCSVUYSV-INIZCTEOSA-N 1 0 378.494 2.787 50 0 GFAARO Cc1cc(C[NH+]2CCC(CNC(=O)C(=O)NCc3cccs3)CC2)c(C)o1 ZINC000043941077 570842062 /nfs/dbraw/zinc/84/20/62/570842062.db2.gz UMLWGWOGOYVTPA-UHFFFAOYSA-N 1 0 389.521 2.603 50 0 GFAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014753039 570859375 /nfs/dbraw/zinc/85/93/75/570859375.db2.gz PGPZWYBXIQMIBC-UHFFFAOYSA-N 1 0 398.507 2.822 50 0 GFAARO Cc1nnc([C@@H](C)NC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015062184 570874490 /nfs/dbraw/zinc/87/44/90/570874490.db2.gz ZHAZIDGFOHBNMF-MRXNPFEDSA-N 1 0 389.503 2.960 50 0 GFAARO C[C@]1(CNC(=O)CNC(=O)c2cccc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000097165435 570901736 /nfs/dbraw/zinc/90/17/36/570901736.db2.gz OWINPGJFYSSUKC-JOCHJYFZSA-N 1 0 383.467 2.726 50 0 GFAARO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023106653 570905158 /nfs/dbraw/zinc/90/51/58/570905158.db2.gz CZNNCWSKSYTFSK-ZDUSSCGKSA-N 1 0 381.885 2.768 50 0 GFAARO COc1ccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@H]2CCCO2)cc1OC ZINC000104971848 570911292 /nfs/dbraw/zinc/91/12/92/570911292.db2.gz HIYGWWDUHAFGRT-RBUKOAKNSA-N 1 0 381.513 2.718 50 0 GFAARO Cn1c(SCc2cc(C(N)=O)oc2C(C)(C)C)nnc1[C@@H]1CCC[NH2+]C1 ZINC000534637735 570912252 /nfs/dbraw/zinc/91/22/52/570912252.db2.gz IYOWCKAVSAFBLD-LLVKDONJSA-N 1 0 377.514 2.564 50 0 GFAARO CCN1C[C@@H](C[N@H+](C)Cc2cc(=O)n3ccc(C)cc3n2)Oc2ccccc21 ZINC000016423596 570924563 /nfs/dbraw/zinc/92/45/63/570924563.db2.gz MCCQPSDAWJXRBQ-GOSISDBHSA-N 1 0 378.476 2.722 50 0 GFAARO Cc1cc(C)c2c(OCC(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)nn(C)c2n1 ZINC000236769123 570943373 /nfs/dbraw/zinc/94/33/73/570943373.db2.gz HNIUPPHLJUQYJP-SFHVURJKSA-N 1 0 395.507 2.904 50 0 GFAARO CCC[NH+]1CCN(CCCNC(=S)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000019370096 570980668 /nfs/dbraw/zinc/98/06/68/570980668.db2.gz SXAIXVSSVLTAOT-UHFFFAOYSA-N 1 0 392.569 2.567 50 0 GFAARO COCCN1CC(=O)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)C1=O ZINC000252535707 570990189 /nfs/dbraw/zinc/99/01/89/570990189.db2.gz GQRLDGJQMFOVPI-YJBOKZPZSA-N 1 0 379.888 2.634 50 0 GFAARO CCCC[C@H]([NH3+])C(=O)N1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091254750 571001216 /nfs/dbraw/zinc/00/12/16/571001216.db2.gz CFUOOROBAOZWMY-SFHVURJKSA-N 1 0 393.478 2.823 50 0 GFAARO Cc1[nH]c2c(c1CC(=O)NCC1(C[NH+]3CCN(C)CC3)CC1)c(C)ccc2C ZINC000091289064 571002379 /nfs/dbraw/zinc/00/23/79/571002379.db2.gz JQDQFKXXXJBJPN-UHFFFAOYSA-N 1 0 382.552 2.779 50 0 GFAARO COc1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000091410050 571006447 /nfs/dbraw/zinc/00/64/47/571006447.db2.gz HNFBVCLMEQLUBD-OAHLLOKOSA-N 1 0 379.932 2.837 50 0 GFAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)CCC1=O ZINC000091412514 571006566 /nfs/dbraw/zinc/00/65/66/571006566.db2.gz CIRWXIUWBGISPS-FQEVSTJZSA-N 1 0 388.537 2.989 50 0 GFAARO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(C(=O)c3ccncc3)CC1)C2 ZINC000091547352 571013842 /nfs/dbraw/zinc/01/38/42/571013842.db2.gz UGBXPHRWSHWKBS-INIZCTEOSA-N 1 0 381.476 2.536 50 0 GFAARO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cn1 ZINC000091563080 571014349 /nfs/dbraw/zinc/01/43/49/571014349.db2.gz ZADKZHDTKVEEPC-IBGZPJMESA-N 1 0 386.540 2.531 50 0 GFAARO Nc1ncccc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091645694 571022015 /nfs/dbraw/zinc/02/20/15/571022015.db2.gz CHHNCFXXTZXTJR-UHFFFAOYSA-N 1 0 386.446 2.957 50 0 GFAARO CCc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc1 ZINC000091650243 571022591 /nfs/dbraw/zinc/02/25/91/571022591.db2.gz MIVCYPPGPDRVJF-UHFFFAOYSA-N 1 0 379.508 2.653 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000091829369 571032132 /nfs/dbraw/zinc/03/21/32/571032132.db2.gz ABRPKAZZZGDAEY-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO CCN1CC[C@@]2(CN(Cc3cccc(OC(F)F)c3)CC[N@@H+]2C)CCC1=O ZINC000091873189 571034566 /nfs/dbraw/zinc/03/45/66/571034566.db2.gz YNBXFRZVRLKKGK-HXUWFJFHSA-N 1 0 381.467 2.807 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)CCn3cccc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095371015 571061180 /nfs/dbraw/zinc/06/11/80/571061180.db2.gz JYCVTOZMTBDRCK-MDNUFGMLSA-N 1 0 379.504 2.976 50 0 GFAARO CCCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)cn1 ZINC000095379354 571066525 /nfs/dbraw/zinc/06/65/25/571066525.db2.gz UQFJUASRWOGLFX-PKOBYXMFSA-N 1 0 384.528 3.000 50 0 GFAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 ZINC000095379942 571066635 /nfs/dbraw/zinc/06/66/35/571066635.db2.gz MTKXWTSDCHSMRR-WZONZLPQSA-N 1 0 396.535 2.951 50 0 GFAARO Cc1cccc(N2C[C@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)CC2=O)c1 ZINC000095383044 571068743 /nfs/dbraw/zinc/06/87/43/571068743.db2.gz ZZTGGATWYUVJCJ-GOSISDBHSA-N 1 0 381.476 2.722 50 0 GFAARO O=C(CCc1ccccn1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383796 571069108 /nfs/dbraw/zinc/06/91/08/571069108.db2.gz UBADUIQXCBFBSR-MDNUFGMLSA-N 1 0 377.488 2.809 50 0 GFAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385425 571070011 /nfs/dbraw/zinc/07/00/11/571070011.db2.gz DCJDZCFIFWNSED-GOSISDBHSA-N 1 0 375.480 2.921 50 0 GFAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3c(cc2C)OCCO3)C1 ZINC000095386105 571070442 /nfs/dbraw/zinc/07/04/42/571070442.db2.gz RHMZZZRNGDTBMG-PKOBYXMFSA-N 1 0 382.508 2.894 50 0 GFAARO C[C@H]([NH3+])C(=O)N1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000095502336 571076697 /nfs/dbraw/zinc/07/66/97/571076697.db2.gz VGPCKMAKBYGJOI-AWEZNQCLSA-N 1 0 393.915 2.683 50 0 GFAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)C1 ZINC000095510160 571081484 /nfs/dbraw/zinc/08/14/84/571081484.db2.gz XEZUNWBAWYBRRY-NRFANRHFSA-N 1 0 396.535 2.606 50 0 GFAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccc3)CC2)C1 ZINC000095510161 571081710 /nfs/dbraw/zinc/08/17/10/571081710.db2.gz XEZUNWBAWYBRRY-OAQYLSRUSA-N 1 0 396.535 2.606 50 0 GFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 ZINC000095521981 571087667 /nfs/dbraw/zinc/08/76/67/571087667.db2.gz IEHYUZTVGXYIII-ROUUACIJSA-N 1 0 375.469 2.627 50 0 GFAARO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000095523696 571089241 /nfs/dbraw/zinc/08/92/41/571089241.db2.gz IAHASGUDVRQRRF-QGZVFWFLSA-N 1 0 383.467 2.524 50 0 GFAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095526838 571091112 /nfs/dbraw/zinc/09/11/12/571091112.db2.gz FSXZGRQYQBSORA-KRWDZBQOSA-N 1 0 385.512 2.612 50 0 GFAARO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1cccc(Br)c1)CC2 ZINC000169782482 655143931 /nfs/dbraw/zinc/14/39/31/655143931.db2.gz YHFAAGKSYGRRTN-OAHLLOKOSA-N 1 0 381.314 2.880 50 0 GFAARO O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000120250147 231025303 /nfs/dbraw/zinc/02/53/03/231025303.db2.gz GFMDGIKOIQJFSD-OALUTQOASA-N 1 0 385.895 2.549 50 0 GFAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1nc(-c2ccccc2)cs1 ZINC000426430569 231220834 /nfs/dbraw/zinc/22/08/34/231220834.db2.gz BNDZKKUNPXEHPS-INIZCTEOSA-N 1 0 381.505 2.790 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CC1)CCNC(=O)CC2 ZINC000426381464 231210714 /nfs/dbraw/zinc/21/07/14/231210714.db2.gz NZQDSFABXQKOJB-UHFFFAOYSA-N 1 0 398.551 2.743 50 0 GFAARO O=C(CC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1)Nc1cccnc1 ZINC000426380686 231210785 /nfs/dbraw/zinc/21/07/85/231210785.db2.gz RUORNTBOJUREAE-LJQANCHMSA-N 1 0 378.476 2.549 50 0 GFAARO CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000426684026 529873879 /nfs/dbraw/zinc/87/38/79/529873879.db2.gz ZRBFLEJUXLYFQA-NRFANRHFSA-N 1 0 377.488 2.562 50 0 GFAARO CNC(=O)[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000426402014 529896904 /nfs/dbraw/zinc/89/69/04/529896904.db2.gz SGWPHHUYVHJGRW-NRFANRHFSA-N 1 0 394.519 2.685 50 0 GFAARO CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(OC)c1 ZINC000005027775 209119770 /nfs/dbraw/zinc/11/97/70/209119770.db2.gz AVRKSDIAESDLTH-QFBILLFUSA-N 1 0 386.492 2.812 50 0 GFAARO CCOC(=O)N1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@H]1c1ccc(C)o1 ZINC000222080053 206258287 /nfs/dbraw/zinc/25/82/87/206258287.db2.gz ZGCILIIUXPJJDC-XMTFNYHQSA-N 1 0 389.496 2.945 50 0 GFAARO CC1(C)NC(=O)N(C[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1=O ZINC000001311787 206371272 /nfs/dbraw/zinc/37/12/72/206371272.db2.gz SHARKFDQAWXPEM-IBGZPJMESA-N 1 0 381.476 2.585 50 0 GFAARO COc1cc2c(c([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cn2C)c(OC)c1 ZINC000001430242 206380478 /nfs/dbraw/zinc/38/04/78/206380478.db2.gz CFFHEWYRADGREW-SFHVURJKSA-N 1 0 376.420 2.642 50 0 GFAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]Cc1ccon1)CC2 ZINC000014538347 207023254 /nfs/dbraw/zinc/02/32/54/207023254.db2.gz PYTDIMLGWOAXSR-MRXNPFEDSA-N 1 0 385.512 2.800 50 0 GFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014540849 207023910 /nfs/dbraw/zinc/02/39/10/207023910.db2.gz IDLXHNSAMKCANV-UHFFFAOYSA-N 1 0 378.476 2.553 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000014753032 207029211 /nfs/dbraw/zinc/02/92/11/207029211.db2.gz VLKBXGDHJKYMKU-GOSISDBHSA-N 1 0 388.556 2.601 50 0 GFAARO Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)o1 ZINC000014974064 207037172 /nfs/dbraw/zinc/03/71/72/207037172.db2.gz JINNIIXOCOPERV-FQEVSTJZSA-N 1 0 378.419 2.852 50 0 GFAARO C[C@@H](CC[NH+]1CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1)c1ccccc1 ZINC000014994847 207039504 /nfs/dbraw/zinc/03/95/04/207039504.db2.gz BODZKKMCGPBGMS-SFHVURJKSA-N 1 0 397.523 2.581 50 0 GFAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000014753212 207029895 /nfs/dbraw/zinc/02/98/95/207029895.db2.gz GQPUIJHGTGBDFG-UHFFFAOYSA-N 1 0 392.503 2.943 50 0 GFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCOC(C)C)C2 ZINC000014754363 207030248 /nfs/dbraw/zinc/03/02/48/207030248.db2.gz KQSLRVZEULYSHE-KRWDZBQOSA-N 1 0 376.545 2.791 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4nccn4C)C3)C2=O)c1 ZINC000015065061 207043375 /nfs/dbraw/zinc/04/33/75/207043375.db2.gz GAGUULWFRLSIRL-OAQYLSRUSA-N 1 0 386.471 2.583 50 0 GFAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770365 207059082 /nfs/dbraw/zinc/05/90/82/207059082.db2.gz XLJUJTYVGRUBKP-HNNXBMFYSA-N 1 0 375.542 2.756 50 0 GFAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000019300729 207115369 /nfs/dbraw/zinc/11/53/69/207115369.db2.gz ZLCZRSICPYBNKT-QFIPXVFZSA-N 1 0 379.504 2.737 50 0 GFAARO CCOc1c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)cc1OC ZINC000020476717 207196898 /nfs/dbraw/zinc/19/68/98/207196898.db2.gz RPXWATUBTWKKEP-UHFFFAOYSA-N 1 0 398.912 2.727 50 0 GFAARO COCc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000020539539 207203757 /nfs/dbraw/zinc/20/37/57/207203757.db2.gz LDSBFQHPRFKDCU-QFIPXVFZSA-N 1 0 384.520 2.910 50 0 GFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](c2ccncc2)N2CCOCC2)c(F)c1 ZINC000020601429 207206567 /nfs/dbraw/zinc/20/65/67/207206567.db2.gz YPCXKEMNCIBNIR-HXUWFJFHSA-N 1 0 399.445 2.913 50 0 GFAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2N1CCCCC1 ZINC000020745041 207214001 /nfs/dbraw/zinc/21/40/01/207214001.db2.gz SLQHAXDNYTVTDJ-UHFFFAOYSA-N 1 0 391.523 2.676 50 0 GFAARO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000022695405 207259501 /nfs/dbraw/zinc/25/95/01/207259501.db2.gz BARBCXDLAPTJOV-GWKQRERASA-N 1 0 395.503 2.591 50 0 GFAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000022771676 207260454 /nfs/dbraw/zinc/26/04/54/207260454.db2.gz DYQIKMYZECAAAG-QFIPXVFZSA-N 1 0 393.531 2.689 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCc3cccnc3)cc2)C1 ZINC000023114377 207268837 /nfs/dbraw/zinc/26/88/37/207268837.db2.gz IJMCZQGVWTXGAS-NRFANRHFSA-N 1 0 383.492 2.747 50 0 GFAARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]C2Cc3ccccc3C2)CC1 ZINC000023338609 207274797 /nfs/dbraw/zinc/27/47/97/207274797.db2.gz JVQUFTZZTJLFAC-NRFANRHFSA-N 1 0 378.520 2.820 50 0 GFAARO CCOc1cccc(CNCC[NH2+]CCO)c1OCc1ccccc1Cl ZINC000022937093 207265033 /nfs/dbraw/zinc/26/50/33/207265033.db2.gz RXEDAHHBHBHSRI-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(N(C)CCn3ccnc3C)nc2)CC[N@@H+]1C(C)C ZINC000012305667 207285499 /nfs/dbraw/zinc/28/54/99/207285499.db2.gz UITFAGKWTVGJLV-FQEVSTJZSA-N 1 0 398.555 2.668 50 0 GFAARO Cc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037375907 207544627 /nfs/dbraw/zinc/54/46/27/207544627.db2.gz PDAJUJCJYSOTIY-UHFFFAOYSA-N 1 0 379.512 2.891 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000067742257 207903738 /nfs/dbraw/zinc/90/37/38/207903738.db2.gz TZPMNZTZVWLBMN-INIZCTEOSA-N 1 0 377.479 2.920 50 0 GFAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)C1=Cc3ccccc3OC=C1)C2 ZINC000072143185 207979999 /nfs/dbraw/zinc/97/99/99/207979999.db2.gz JXYMFWZGABSGNZ-KNQAVFIVSA-N 1 0 382.460 2.510 50 0 GFAARO O=C(c1ccncc1)N1CCC([NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)CC1 ZINC000072151877 207981220 /nfs/dbraw/zinc/98/12/20/207981220.db2.gz FYJVKRHLVFNRFA-JOCHJYFZSA-N 1 0 391.515 2.637 50 0 GFAARO CCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072165407 207985087 /nfs/dbraw/zinc/98/50/87/207985087.db2.gz FFOGNMBFPMQENJ-HNNXBMFYSA-N 1 0 377.448 2.995 50 0 GFAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cc(-c4ccccc4)on3)cc2C1 ZINC000077488185 208046958 /nfs/dbraw/zinc/04/69/58/208046958.db2.gz RGZFGHSEZISSFB-UHFFFAOYSA-N 1 0 379.464 2.940 50 0 GFAARO Cc1ncc(CO)c(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)c1O ZINC000077537983 208049712 /nfs/dbraw/zinc/04/97/12/208049712.db2.gz YEJWSZXCQJWURI-QFIPXVFZSA-N 1 0 389.540 2.839 50 0 GFAARO Cc1cc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cs1 ZINC000072409869 208019566 /nfs/dbraw/zinc/01/95/66/208019566.db2.gz KEARHOIHQLPOFE-MOPGFXCFSA-N 1 0 398.532 2.607 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@H]2[NH+](C)C)cc1 ZINC000077376345 208040828 /nfs/dbraw/zinc/04/08/28/208040828.db2.gz PRRBJADJLKHXFS-LEWJYISDSA-N 1 0 375.476 2.746 50 0 GFAARO O=S(=O)(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000079062428 208070870 /nfs/dbraw/zinc/07/08/70/208070870.db2.gz AWPBJDRUKFOOQU-UHFFFAOYSA-N 1 0 396.459 2.787 50 0 GFAARO O=C1CC[C@@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH]cn1 ZINC000082116220 208080178 /nfs/dbraw/zinc/08/01/78/208080178.db2.gz UXXWMYHBZXGWON-LJQANCHMSA-N 1 0 394.610 2.505 50 0 GFAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000091526081 208122595 /nfs/dbraw/zinc/12/25/95/208122595.db2.gz WDVAZKFMBKMKRB-UHFFFAOYSA-N 1 0 376.508 2.965 50 0 GFAARO O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091829514 208139714 /nfs/dbraw/zinc/13/97/14/208139714.db2.gz JPFLORBMKWOMJO-VQIMIIECSA-N 1 0 382.508 2.676 50 0 GFAARO Cc1ccc(-c2ncc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c(=O)[nH]2)cc1 ZINC000091747093 208136470 /nfs/dbraw/zinc/13/64/70/208136470.db2.gz FTRXFLZUIFMXPZ-INIZCTEOSA-N 1 0 380.492 2.740 50 0 GFAARO CCc1cc2oc(=O)cc(CN3CC[NH+]([C@H]4CCOC4)CC3)c2cc1Cl ZINC000089283007 208103834 /nfs/dbraw/zinc/10/38/34/208103834.db2.gz IMXDYQFKMPCBCM-INIZCTEOSA-N 1 0 376.884 2.915 50 0 GFAARO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000089478746 208105188 /nfs/dbraw/zinc/10/51/88/208105188.db2.gz MEUDBDWRSKGECE-CYBMUJFWSA-N 1 0 396.459 2.505 50 0 GFAARO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nn1-c1ccc(F)cc1 ZINC000089718066 208107849 /nfs/dbraw/zinc/10/78/49/208107849.db2.gz YFIJUFWETLVVKV-RBUKOAKNSA-N 1 0 379.439 2.890 50 0 GFAARO Cn1ccnc1CC[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000091434349 208117393 /nfs/dbraw/zinc/11/73/93/208117393.db2.gz WTRIFSIUSSOXJS-UHFFFAOYSA-N 1 0 380.536 2.910 50 0 GFAARO O=C(c1cccc(-n2cnnc2)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000091350610 208117462 /nfs/dbraw/zinc/11/74/62/208117462.db2.gz NXDGJTPPSROUDJ-UHFFFAOYSA-N 1 0 387.487 2.930 50 0 GFAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(c1nnc(-c3ccccc3)s1)CC2 ZINC000091452401 208119941 /nfs/dbraw/zinc/11/99/41/208119941.db2.gz NKDLDESEJFSBNY-SJORKVTESA-N 1 0 388.537 2.503 50 0 GFAARO CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000095362559 208163200 /nfs/dbraw/zinc/16/32/00/208163200.db2.gz 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CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000095390012 208175727 /nfs/dbraw/zinc/17/57/27/208175727.db2.gz LUIYIUHNIKGPGR-PXNSSMCTSA-N 1 0 375.538 2.597 50 0 GFAARO COc1ccc(C(=O)NCc2noc(C)n2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095509728 208210556 /nfs/dbraw/zinc/21/05/56/208210556.db2.gz MMEOGTAVLHTFCU-UHFFFAOYSA-N 1 0 388.468 2.568 50 0 GFAARO COCC[NH2+]Cc1cnc(C)c2oc(C(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000095480152 208194271 /nfs/dbraw/zinc/19/42/71/208194271.db2.gz CHQJZSUFGNPPTN-UHFFFAOYSA-N 1 0 382.416 2.874 50 0 GFAARO O=C(C[NH+]1CCCC1)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095512425 208212661 /nfs/dbraw/zinc/21/26/61/208212661.db2.gz IFRDTJNMWCJXBK-UHFFFAOYSA-N 1 0 389.927 2.777 50 0 GFAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)N1Cc1ccccn1 ZINC000095512068 208214733 /nfs/dbraw/zinc/21/47/33/208214733.db2.gz RKRAHFGWTBLPGN-SIKLNZKXSA-N 1 0 387.487 2.890 50 0 GFAARO CCS(=O)(=O)CC[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095520278 208221184 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CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000244795800 209024868 /nfs/dbraw/zinc/02/48/68/209024868.db2.gz RNXAXTBBTIJQPG-IBGZPJMESA-N 1 0 377.554 2.926 50 0 GFAARO CN(C)c1nc([C@H]2C[C@@H]([NH3+])C2)cc(N(C)Cc2ccc(-n3cccn3)cc2)n1 ZINC000252571527 209038514 /nfs/dbraw/zinc/03/85/14/209038514.db2.gz YCNAVQFSXFEQBG-CALCHBBNSA-N 1 0 377.496 2.569 50 0 GFAARO Cc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)Cn3ccnc3)O2)CC1 ZINC000299782048 209089295 /nfs/dbraw/zinc/08/92/95/209089295.db2.gz FKXATPCJYACWTR-HXUWFJFHSA-N 1 0 382.508 2.522 50 0 GFAARO COc1c(C)cc(-c2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)cc1C ZINC000299801168 209091384 /nfs/dbraw/zinc/09/13/84/209091384.db2.gz YXEMCMZKWUGDHS-OAQYLSRUSA-N 1 0 381.520 2.955 50 0 GFAARO O=C(CCn1nnc2ccccc21)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299787740 209088773 /nfs/dbraw/zinc/08/87/73/209088773.db2.gz XQEQTHLKJSFIIK-FQEVSTJZSA-N 1 0 381.455 2.914 50 0 GFAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C(C)(C)C)cc3)cc2n(C)c1=O ZINC000016322895 221361024 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529120505 /nfs/dbraw/zinc/12/05/05/529120505.db2.gz WPHHMNKDAAQTJP-OAQYLSRUSA-N 1 0 393.478 2.694 50 0 GFAARO CC(C)([NH3+])C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072150886 535194399 /nfs/dbraw/zinc/19/43/99/535194399.db2.gz GIVBMTMKDJFECV-KRWDZBQOSA-N 1 0 398.473 2.556 50 0 GFAARO COc1ccc(NC(=O)CC[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000124392805 536759854 /nfs/dbraw/zinc/75/98/54/536759854.db2.gz RMMFARIWPUUQFS-UHFFFAOYSA-N 1 0 397.504 2.851 50 0 GFAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Br ZINC000007709752 551101309 /nfs/dbraw/zinc/10/13/09/551101309.db2.gz GLHQZKYCCJIGQS-UHFFFAOYSA-N 1 0 391.331 2.612 50 0 GFAARO CN(C(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000040355259 551134368 /nfs/dbraw/zinc/13/43/68/551134368.db2.gz BPSNDKPBOHVWSH-CYBMUJFWSA-N 1 0 378.885 2.825 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237263064 553076409 /nfs/dbraw/zinc/07/64/09/553076409.db2.gz SCYXNYFMULZXRV-ZDUSSCGKSA-N 1 0 377.286 2.706 50 0 GFAARO CC(=O)N[C@H](CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000299739275 563390500 /nfs/dbraw/zinc/39/05/00/563390500.db2.gz MRTYWIVCKURNLK-YLQAJVPDSA-N 1 0 396.329 2.602 50 0 GFAARO CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)CC1 ZINC000104432627 570258724 /nfs/dbraw/zinc/25/87/24/570258724.db2.gz QSMAHQZHFIPNQF-HSZRJFAPSA-N 1 0 396.579 2.976 50 0 GFAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104555298 570260022 /nfs/dbraw/zinc/26/00/22/570260022.db2.gz NQFVLZGHMFHKNR-HXUWFJFHSA-N 1 0 398.503 2.801 50 0 GFAARO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012887466 570285189 /nfs/dbraw/zinc/28/51/89/570285189.db2.gz XHHPTJBAVPOQDK-KRWDZBQOSA-N 1 0 392.503 2.746 50 0 GFAARO O=C(Cn1ccccc1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014228817 570302707 /nfs/dbraw/zinc/30/27/07/570302707.db2.gz YIHLKPUUTSQMOA-UHFFFAOYSA-N 1 0 387.483 2.782 50 0 GFAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000108405757 570312769 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ZINC000039466983 570592283 /nfs/dbraw/zinc/59/22/83/570592283.db2.gz VAYPQQHPGGYDSM-UHFFFAOYSA-N 1 0 393.915 2.555 50 0 GFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](C[C@H]2CC=CCC2)CC3)CC1 ZINC000011998263 570597259 /nfs/dbraw/zinc/59/72/59/570597259.db2.gz QUSONGRXVQCWQT-RBUKOAKNSA-N 1 0 389.540 2.746 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000006798516 570599627 /nfs/dbraw/zinc/59/96/27/570599627.db2.gz XPPNIZDBURKXBI-QZTJIDSGSA-N 1 0 387.524 2.676 50 0 GFAARO CC[NH+](CC)CCC(=O)NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000012055324 570602113 /nfs/dbraw/zinc/60/21/13/570602113.db2.gz PNKOPBGSULRKRQ-MRXNPFEDSA-N 1 0 388.899 2.949 50 0 GFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)C1 ZINC000012164501 570619381 /nfs/dbraw/zinc/61/93/81/570619381.db2.gz AKNLRIASOSMWIQ-INIZCTEOSA-N 1 0 394.479 2.787 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCC(=O)OC ZINC000012298312 570634702 /nfs/dbraw/zinc/63/47/02/570634702.db2.gz QKQCSTHCDPZSBO-LJQANCHMSA-N 1 0 390.524 2.751 50 0 GFAARO CC(=O)NCCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012305103 570638213 /nfs/dbraw/zinc/63/82/13/570638213.db2.gz WTACEXKFCPGBPB-UHFFFAOYSA-N 1 0 386.540 2.591 50 0 GFAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048261828 570656990 /nfs/dbraw/zinc/65/69/90/570656990.db2.gz UVEDCULUVWIXRG-AWEZNQCLSA-N 1 0 375.904 2.986 50 0 GFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCCn1cncn1 ZINC000012438239 570663058 /nfs/dbraw/zinc/66/30/58/570663058.db2.gz DLWSMQDTIVNNMF-UHFFFAOYSA-N 1 0 387.503 2.611 50 0 GFAARO Cc1c(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCC(C)C)[nH]c2ccccc12 ZINC000012442777 570664959 /nfs/dbraw/zinc/66/49/59/570664959.db2.gz FOBJQKJHBOWIAT-HXUWFJFHSA-N 1 0 384.524 2.671 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)C1 ZINC000229875080 570667428 /nfs/dbraw/zinc/66/74/28/570667428.db2.gz LZIVSHNPXFMHFQ-FGTMMUONSA-N 1 0 389.544 2.795 50 0 GFAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000033032763 570670011 /nfs/dbraw/zinc/67/00/11/570670011.db2.gz OZWHJLPSMPZVES-UHFFFAOYSA-N 1 0 399.922 2.977 50 0 GFAARO CCc1c(C(=O)NCC[NH+](CC)CC)c(=O)cc(C)n1Cc1ccccc1OC ZINC000012510797 570675319 /nfs/dbraw/zinc/67/53/19/570675319.db2.gz KPBXLSWXFGXKEX-UHFFFAOYSA-N 1 0 399.535 2.848 50 0 GFAARO COc1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1OC ZINC000058180164 570716943 /nfs/dbraw/zinc/71/69/43/570716943.db2.gz XRERZPNKCSAHAZ-MRXNPFEDSA-N 1 0 378.513 2.882 50 0 GFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000058405795 570731044 /nfs/dbraw/zinc/73/10/44/570731044.db2.gz KXLGBVOKFDRBQU-HOTGVXAUSA-N 1 0 380.483 2.822 50 0 GFAARO CN1CC[NH+](CCCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000058403659 570731264 /nfs/dbraw/zinc/73/12/64/570731264.db2.gz VIZMFLJSJWLUTF-UHFFFAOYSA-N 1 0 394.313 2.953 50 0 GFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(C)c2)cc1 ZINC000065314930 570758082 /nfs/dbraw/zinc/75/80/82/570758082.db2.gz ZNZHGKZHRLSDKU-UHFFFAOYSA-N 1 0 379.504 2.768 50 0 GFAARO CCCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+](C)C)c(Cl)cc12 ZINC000013555076 570758313 /nfs/dbraw/zinc/75/83/13/570758313.db2.gz SGICYYSGCKPGTR-UHFFFAOYSA-N 1 0 380.872 2.846 50 0 GFAARO Cc1cc(N2CCN(C(=O)COc3ccccc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362686 570760184 /nfs/dbraw/zinc/76/01/84/570760184.db2.gz WREHAGBOAIYRPO-UHFFFAOYSA-N 1 0 395.507 2.503 50 0 GFAARO COc1cccc([C@@H]2CC[N@H+](Cc3cc4ccccc4n(C)c3=O)C[C@H]2O)c1 ZINC000065420349 570767592 /nfs/dbraw/zinc/76/75/92/570767592.db2.gz WRMBWEUZWDYOAF-RBBKRZOGSA-N 1 0 378.472 2.898 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000067603428 570782749 /nfs/dbraw/zinc/78/27/49/570782749.db2.gz GCFQPVYBRSUQKZ-UHFFFAOYSA-N 1 0 378.480 2.589 50 0 GFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)C1 ZINC000067640923 570784317 /nfs/dbraw/zinc/78/43/17/570784317.db2.gz NVBWEDCPEJYHCS-HNNXBMFYSA-N 1 0 378.480 2.507 50 0 GFAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)C1 ZINC000067773331 570790581 /nfs/dbraw/zinc/79/05/81/570790581.db2.gz PYBZYRPWPKPPMT-QGZVFWFLSA-N 1 0 377.448 2.513 50 0 GFAARO COc1ccccc1OCc1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)n[nH]1 ZINC000067789664 570791200 /nfs/dbraw/zinc/79/12/00/570791200.db2.gz JNZUNTUYMWJXGA-OAHLLOKOSA-N 1 0 384.480 2.696 50 0 GFAARO CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)nc1 ZINC000067821295 570793185 /nfs/dbraw/zinc/79/31/85/570793185.db2.gz GAJWAJFEZVYQTE-UHFFFAOYSA-N 1 0 382.508 2.779 50 0 GFAARO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000101079774 570793868 /nfs/dbraw/zinc/79/38/68/570793868.db2.gz FYNNBNJJJSGXFF-VXKWHMMOSA-N 1 0 389.499 2.866 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCOc4ccccc4C3)cnn2c1 ZINC000067909225 570796946 /nfs/dbraw/zinc/79/69/46/570796946.db2.gz ZJCLJINPOJUIKU-UHFFFAOYSA-N 1 0 379.464 2.606 50 0 GFAARO c1nn2cc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2c1-c1ccccc1 ZINC000067954477 570798297 /nfs/dbraw/zinc/79/82/97/570798297.db2.gz PYYSKKYUFKVVRK-FQEVSTJZSA-N 1 0 377.492 2.693 50 0 GFAARO Cc1nccn1CC[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067974250 570799454 /nfs/dbraw/zinc/79/94/54/570799454.db2.gz MJQAXTBINLLQKB-QHCPKHFHSA-N 1 0 398.551 2.800 50 0 GFAARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000007378086 570831949 /nfs/dbraw/zinc/83/19/49/570831949.db2.gz NOQPTVVETAYJGD-INIZCTEOSA-N 1 0 379.526 2.674 50 0 GFAARO COc1cccc([C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)[NH+](C)C)c1 ZINC000037127573 570840219 /nfs/dbraw/zinc/84/02/19/570840219.db2.gz HDVKXMAFXHYIQX-LJQANCHMSA-N 1 0 384.476 2.818 50 0 GFAARO CC(C)[C@@H]1C[N@H+](CCC(=O)N2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071551906 570840448 /nfs/dbraw/zinc/84/04/48/570840448.db2.gz LILJLPLNEICGEF-FQEVSTJZSA-N 1 0 389.515 2.897 50 0 GFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012541026 570841225 /nfs/dbraw/zinc/84/12/25/570841225.db2.gz RFVJHKULARYHMH-OAQYLSRUSA-N 1 0 378.476 2.534 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCOCC1 ZINC000071753929 570848163 /nfs/dbraw/zinc/84/81/63/570848163.db2.gz TZSVHJMSOQHEBE-QFIPXVFZSA-N 1 0 399.579 2.654 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004709749 570855227 /nfs/dbraw/zinc/85/52/27/570855227.db2.gz JBQAKQOAZGMNSA-RTBURBONSA-N 1 0 396.535 2.785 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004709741 570855381 /nfs/dbraw/zinc/85/53/81/570855381.db2.gz JBQAKQOAZGMNSA-KDURUIRLSA-N 1 0 396.535 2.785 50 0 GFAARO O=C(NCC[C@H]1CCC[NH2+]1)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000072121043 570867121 /nfs/dbraw/zinc/86/71/21/570867121.db2.gz DAMBPOVXMLWTNG-LJQANCHMSA-N 1 0 375.476 2.788 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCc2nncn2C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072142210 570870049 /nfs/dbraw/zinc/87/00/49/570870049.db2.gz USUVDKJATKANHI-IBGZPJMESA-N 1 0 387.503 2.646 50 0 GFAARO NC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072156916 570874304 /nfs/dbraw/zinc/87/43/04/570874304.db2.gz MMTOQPLVSFDCPX-NRFANRHFSA-N 1 0 386.446 2.951 50 0 GFAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C(=O)Nc1ccc(F)cc1F ZINC000023127482 570912408 /nfs/dbraw/zinc/91/24/08/570912408.db2.gz HNVFGGUCIAUNHS-UHFFFAOYSA-N 1 0 377.391 2.525 50 0 GFAARO COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127424 570912594 /nfs/dbraw/zinc/91/25/94/570912594.db2.gz UBEYNMAWOAUYLL-UHFFFAOYSA-N 1 0 395.503 2.971 50 0 GFAARO Cn1nc(-c2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)ccc1=O ZINC000534639519 570912777 /nfs/dbraw/zinc/91/27/77/570912777.db2.gz AICCWYFUICARKD-UHFFFAOYSA-N 1 0 380.492 2.538 50 0 GFAARO CCn1ncc(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1C ZINC000534651194 570914348 /nfs/dbraw/zinc/91/43/48/570914348.db2.gz UBJLKIDPIMFQIO-NRFANRHFSA-N 1 0 381.524 2.596 50 0 GFAARO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 ZINC000534665455 570919484 /nfs/dbraw/zinc/91/94/84/570919484.db2.gz QVLYZINSNBNPRD-SFHVURJKSA-N 1 0 382.464 2.616 50 0 GFAARO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CNCc2cc(F)ccc2F)c1 ZINC000012057269 570957232 /nfs/dbraw/zinc/95/72/32/570957232.db2.gz NURPWFSNAVKZOO-KRWDZBQOSA-N 1 0 380.435 2.565 50 0 GFAARO Cc1cc(NC(=O)c2cnn(-c3ccccc3)n2)cc(N2CC[NH+](C)CC2)c1 ZINC000252507319 570978336 /nfs/dbraw/zinc/97/83/36/570978336.db2.gz WGYQZMAEJOVEOK-UHFFFAOYSA-N 1 0 376.464 2.580 50 0 GFAARO COc1ccc2[nH]cc(C3=CC[N@H+](CCN4C(=O)NC(C)(C)C4=O)CC3)c2c1 ZINC000053074275 570984082 /nfs/dbraw/zinc/98/40/82/570984082.db2.gz UGVOQFCKYHOCJO-UHFFFAOYSA-N 1 0 382.464 2.596 50 0 GFAARO O=C(CCC1CC[NH+](Cc2cccc3nonc32)CC1)NCc1cccnc1 ZINC000095523277 571088815 /nfs/dbraw/zinc/08/88/15/571088815.db2.gz IPWUTSKSTSYJLS-UHFFFAOYSA-N 1 0 379.464 2.926 50 0 GFAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000078821237 655005304 /nfs/dbraw/zinc/00/53/04/655005304.db2.gz MJVPLUYSITTZIG-GFCCVEGCSA-N 1 0 375.296 2.724 50 0 GFAARO CCn1cc(Br)c(=O)c(NC(=O)N2CC[NH+](C(C)(C)CC)CC2)c1 ZINC000888102101 663178395 /nfs/dbraw/zinc/17/83/95/663178395.db2.gz ATLTYTYABXWYSC-UHFFFAOYSA-N 1 0 399.333 2.969 50 0 GFAARO Cc1nnc(SCCCNC(=O)N2CCC(Cn3ccnc3)CC2)s1 ZINC000426478657 231225888 /nfs/dbraw/zinc/22/58/88/231225888.db2.gz FLLYGWWKKCQHFG-UHFFFAOYSA-N 1 0 380.543 2.647 50 0 GFAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000426584696 529640563 /nfs/dbraw/zinc/64/05/63/529640563.db2.gz MGRKFSBDUAOYGA-HXUWFJFHSA-N 1 0 383.540 2.589 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CC[NH2+]C[C@@H]4C)csc3C2)nc1 ZINC000426407572 529644326 /nfs/dbraw/zinc/64/43/26/529644326.db2.gz NTDXRFFSSCSXCA-MGPUTAFESA-N 1 0 398.576 2.992 50 0 GFAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)[C@H]1c1ccccc1OC ZINC000252656394 209110428 /nfs/dbraw/zinc/11/04/28/209110428.db2.gz DABVYYFAZJAKIN-DJPFJPOOSA-N 1 0 387.524 2.582 50 0 GFAARO COc1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000108880406 206247692 /nfs/dbraw/zinc/24/76/92/206247692.db2.gz WPULDPMTLOXXQT-AWEZNQCLSA-N 1 0 390.867 2.869 50 0 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CC(C)Cc1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]n1 ZINC000015066360 207042348 /nfs/dbraw/zinc/04/23/48/207042348.db2.gz YPUUIGJGJZVHJB-FQEVSTJZSA-N 1 0 376.545 2.896 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccsc2)CC1 ZINC000015068534 207042490 /nfs/dbraw/zinc/04/24/90/207042490.db2.gz QSPGBWUCQXVOTL-GOSISDBHSA-N 1 0 377.554 2.981 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1OC ZINC000015073604 207044844 /nfs/dbraw/zinc/04/48/44/207044844.db2.gz QDSDUGYAPQGSES-KRWDZBQOSA-N 1 0 387.480 2.779 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OC)cc2)C3)CC1 ZINC000015779515 207060983 /nfs/dbraw/zinc/06/09/83/207060983.db2.gz ZOMILCSWHJBIBW-UHFFFAOYSA-N 1 0 381.524 2.576 50 0 GFAARO C[C@H](C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1)[NH+]1CCOCC1 ZINC000019229295 207109645 /nfs/dbraw/zinc/10/96/45/207109645.db2.gz LBAKMJMVOJYEKO-MRXNPFEDSA-N 1 0 388.487 2.732 50 0 GFAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C ZINC000019791480 207160745 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O=C(Cc1ccc(N2CCCC2=O)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022462519 207255628 /nfs/dbraw/zinc/25/56/28/207255628.db2.gz IYDNQIMDSQNYBP-UHFFFAOYSA-N 1 0 399.535 2.507 50 0 GFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)[C@H]1COc2ccccc2C1 ZINC000022937980 207264318 /nfs/dbraw/zinc/26/43/18/207264318.db2.gz ZVKBNCHUZGQSRM-HXUWFJFHSA-N 1 0 385.552 2.694 50 0 GFAARO CCn1ccnc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000023374843 207276854 /nfs/dbraw/zinc/27/68/54/207276854.db2.gz GBRASSKOXNFZQF-IBGZPJMESA-N 1 0 383.540 2.698 50 0 GFAARO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccc(Cl)cc1 ZINC000023038266 207267707 /nfs/dbraw/zinc/26/77/07/207267707.db2.gz WFFJCYUISYXZAM-UHFFFAOYSA-N 1 0 393.959 2.923 50 0 GFAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000025304712 207302859 /nfs/dbraw/zinc/30/28/59/207302859.db2.gz JIKGAJXANSQQKT-LJQANCHMSA-N 1 0 386.467 2.594 50 0 GFAARO COc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)cc1Cl ZINC000038670714 207314010 /nfs/dbraw/zinc/31/40/10/207314010.db2.gz APMJCSZAZOWYOE-UHFFFAOYSA-N 1 0 378.864 2.747 50 0 GFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000027499216 207326185 /nfs/dbraw/zinc/32/61/85/207326185.db2.gz HTKHCJJFWUELCC-IBGZPJMESA-N 1 0 399.491 2.752 50 0 GFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCOc2ccccc2)CC1 ZINC000040107970 207340551 /nfs/dbraw/zinc/34/05/51/207340551.db2.gz LZXXYPYVTCRNPQ-UHFFFAOYSA-N 1 0 381.520 2.909 50 0 GFAARO O=C(Cn1nnc(-c2ccsc2)n1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032903971 207418037 /nfs/dbraw/zinc/41/80/37/207418037.db2.gz YICRDPCTXUZISH-UHFFFAOYSA-N 1 0 396.520 2.704 50 0 GFAARO CC(=O)N[C@H](CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000299739272 207646359 /nfs/dbraw/zinc/64/63/59/207646359.db2.gz MRTYWIVCKURNLK-ISTRZQFTSA-N 1 0 396.329 2.602 50 0 GFAARO CC1(C)CC(=O)c2cnc3c(C(=O)NCCC[NH+]4CCCCCC4)cnn3c2C1 ZINC000064987471 207825533 /nfs/dbraw/zinc/82/55/33/207825533.db2.gz WBOZZFXODIZFNT-UHFFFAOYSA-N 1 0 397.523 2.880 50 0 GFAARO C[NH+]1CCC2(CCN(C(=O)C34C[C@H]5C[C@@H](C3)CC(n3cncn3)(C5)C4)C2)CC1 ZINC000065526272 207874189 /nfs/dbraw/zinc/87/41/89/207874189.db2.gz XZDUCQVRPDNQHW-OTXOEQGISA-N 1 0 383.540 2.518 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC000067855035 207911302 /nfs/dbraw/zinc/91/13/02/207911302.db2.gz DYWQNLSUPCDUCG-MRXNPFEDSA-N 1 0 377.479 2.920 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000072419395 208020562 /nfs/dbraw/zinc/02/05/62/208020562.db2.gz USVXBKGCLYODHH-OAQYLSRUSA-N 1 0 382.508 2.517 50 0 GFAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)C[C@@H](O)CO ZINC000072427300 208021293 /nfs/dbraw/zinc/02/12/93/208021293.db2.gz UEQGLRPXGQIHCM-QGZVFWFLSA-N 1 0 387.430 2.911 50 0 GFAARO COc1ccc(-n2ccnc2-c2nccn2[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1 ZINC000077339906 208039785 /nfs/dbraw/zinc/03/97/85/208039785.db2.gz XDINKVCCFGKEDY-OALUTQOASA-N 1 0 379.464 2.780 50 0 GFAARO CC(C)CCN1CC2(CCN(C(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)CC2)OC1=O ZINC000077505185 208046371 /nfs/dbraw/zinc/04/63/71/208046371.db2.gz YTKJNVTZNJNHOX-MSOLQXFVSA-N 1 0 377.529 2.720 50 0 GFAARO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000078975164 208065920 /nfs/dbraw/zinc/06/59/20/208065920.db2.gz DIRZDXUOSTZEIU-KXBFYZLASA-N 1 0 375.419 2.969 50 0 GFAARO Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1I ZINC000079057394 208070365 /nfs/dbraw/zinc/07/03/65/208070365.db2.gz VYMNAUSHPPPTFO-AAEUAGOBSA-N 1 0 384.261 2.955 50 0 GFAARO Cc1cc(C)c(C[NH+]2CCC(Cc3nnc(CO)n3C)CC2)c(-n2cccn2)c1 ZINC000082171028 208082426 /nfs/dbraw/zinc/08/24/26/208082426.db2.gz CXOJPOISGXVKEI-UHFFFAOYSA-N 1 0 394.523 2.565 50 0 GFAARO COc1ncccc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091779570 208138261 /nfs/dbraw/zinc/13/82/61/208138261.db2.gz RFHWEJZMSBPCMI-UHFFFAOYSA-N 1 0 383.496 2.755 50 0 GFAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCc4c[nH]nc43)cc2)C[C@@H](C)O1 ZINC000089936695 208111137 /nfs/dbraw/zinc/11/11/37/208111137.db2.gz GOFWVXNPHPCHLP-JXXFODFXSA-N 1 0 382.508 2.755 50 0 GFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091326800 208113958 /nfs/dbraw/zinc/11/39/58/208113958.db2.gz PWALWENDJASCBW-HXUWFJFHSA-N 1 0 398.551 2.687 50 0 GFAARO Cc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)n1 ZINC000091382279 208117198 /nfs/dbraw/zinc/11/71/98/208117198.db2.gz NXNZZMPLDDPFFO-UHFFFAOYSA-N 1 0 379.508 2.789 50 0 GFAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000091493373 208118791 /nfs/dbraw/zinc/11/87/91/208118791.db2.gz NGSYOPMXRQFYOP-UHFFFAOYSA-N 1 0 380.492 2.791 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc(C(N)=O)cc2)C3)cc1 ZINC000095358482 208162056 /nfs/dbraw/zinc/16/20/56/208162056.db2.gz QKRYEOGFNDSJJS-PZJWPPBQSA-N 1 0 379.504 2.891 50 0 GFAARO Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095382885 208173742 /nfs/dbraw/zinc/17/37/42/208173742.db2.gz FFZYKPIVJKLGIY-QGZVFWFLSA-N 1 0 379.508 2.956 50 0 GFAARO Cc1nccn1CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385475 208175307 /nfs/dbraw/zinc/17/53/07/208175307.db2.gz NLBIJPRPHPGCQB-KSEOMHKRSA-N 1 0 382.483 2.810 50 0 GFAARO CC[C@H]1CN(C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC[N@@H+]1C(C)C ZINC000091876750 208140486 /nfs/dbraw/zinc/14/04/86/208140486.db2.gz VOOAHTBEJBKBDT-KRWDZBQOSA-N 1 0 376.497 2.780 50 0 GFAARO CC(C)Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091907185 208142395 /nfs/dbraw/zinc/14/23/95/208142395.db2.gz QVOJDGGWZABLDK-GMQQQROESA-N 1 0 388.552 2.675 50 0 GFAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@H]1CO ZINC000091934826 208142990 /nfs/dbraw/zinc/14/29/90/208142990.db2.gz ZYMKMXHTNMOGQI-RTBURBONSA-N 1 0 386.467 2.647 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3ccc(Cl)cc3n2)C[C@@H]1CO ZINC000091965411 208144263 /nfs/dbraw/zinc/14/42/63/208144263.db2.gz NBMIPRAGBIQUIV-HZPDHXFCSA-N 1 0 377.916 2.820 50 0 GFAARO Cn1cc(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000095386801 208174344 /nfs/dbraw/zinc/17/43/44/208174344.db2.gz LPSPCJXQIDPBDK-WMLDXEAASA-N 1 0 384.911 2.777 50 0 GFAARO c1cn(Cc2cc(-c3ccccc3)on2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091942999 208145304 /nfs/dbraw/zinc/14/53/04/208145304.db2.gz HFSBDFRQFLHXEB-UHFFFAOYSA-N 1 0 375.436 2.769 50 0 GFAARO CN1CC[NH+]([C@H]2CCN(Cc3ccc(F)c(Cl)c3)C[C@H]2CCCO)CC1 ZINC000092037247 208146189 /nfs/dbraw/zinc/14/61/89/208146189.db2.gz OLCHKXMGLTVIQO-XLIONFOSSA-N 1 0 383.939 2.690 50 0 GFAARO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2csc(C)c2)C[N@@H+]1CC1CCCCC1 ZINC000092096566 208149084 /nfs/dbraw/zinc/14/90/84/208149084.db2.gz CXXWAPMBIWGFLH-MSOLQXFVSA-N 1 0 377.554 2.946 50 0 GFAARO O=C(Cn1ccnc1-c1ccccc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000092078413 208150543 /nfs/dbraw/zinc/15/05/43/208150543.db2.gz CXUIKGRXELZPBX-UHFFFAOYSA-N 1 0 375.476 2.726 50 0 GFAARO CCC[C@@H](C)CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000095399846 208177867 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375.469 2.914 50 0 GFAARO COc1ccccc1Cc1nc(-c2cnc(C)cn2)n(C2CC[NH+](C)CC2)n1 ZINC000095511528 208213992 /nfs/dbraw/zinc/21/39/92/208213992.db2.gz CEGSVNPMXQBKRN-UHFFFAOYSA-N 1 0 378.480 2.910 50 0 GFAARO COCCN(Cc1nc(C)no1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095516755 208217961 /nfs/dbraw/zinc/21/79/61/208217961.db2.gz HOWDJGRIUPSELM-GOSISDBHSA-N 1 0 384.524 2.706 50 0 GFAARO CCc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000095526590 208226098 /nfs/dbraw/zinc/22/60/98/208226098.db2.gz NGPGXGGZYPUZDS-QGZVFWFLSA-N 1 0 388.556 2.762 50 0 GFAARO Cc1nnnn1-c1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000095528337 208226939 /nfs/dbraw/zinc/22/69/39/208226939.db2.gz ZYOFIAQEBZAJIG-LJQANCHMSA-N 1 0 379.468 2.704 50 0 GFAARO c1ccc(OCc2nc([C@@H]3CC[NH2+]C3)n(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000096141769 208272459 /nfs/dbraw/zinc/27/24/59/208272459.db2.gz RPQRSVFSPSAANA-OAHLLOKOSA-N 1 0 378.432 2.694 50 0 GFAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(Cl)c2)C[N@@H+]1C1CCCC1 ZINC000096151276 208275359 /nfs/dbraw/zinc/27/53/59/208275359.db2.gz LMVQFCZCAYKOQL-WMZOPIPTSA-N 1 0 377.916 2.520 50 0 GFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(Cl)cn2C)CC1 ZINC000096151762 208275400 /nfs/dbraw/zinc/27/54/00/208275400.db2.gz HCOWMDZPHXOAFZ-GOSISDBHSA-N 1 0 397.947 2.658 50 0 GFAARO Fc1ccc(-c2nnc3n2C[C@H]([NH2+]Cc2ccc(-n4cncn4)cc2)CC3)cc1 ZINC000096002656 208250408 /nfs/dbraw/zinc/25/04/08/208250408.db2.gz NDZZGDXIWFMVTJ-GOSISDBHSA-N 1 0 389.438 2.770 50 0 GFAARO O=C1C[C@@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccccc1 ZINC000100113763 208372169 /nfs/dbraw/zinc/37/21/69/208372169.db2.gz QDAYJKBPVWIXSM-ZNKOEICNSA-N 1 0 393.531 2.905 50 0 GFAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccccc1F ZINC000096024215 209007023 /nfs/dbraw/zinc/00/70/23/209007023.db2.gz PZQKRRLQVXDAPF-UHFFFAOYSA-N 1 0 394.450 2.561 50 0 GFAARO C[C@H]1C[NH+](CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@H](C)O1 ZINC000241657591 209020486 /nfs/dbraw/zinc/02/04/86/209020486.db2.gz PXNHVQLROSGRQR-IRXDYDNUSA-N 1 0 384.524 2.920 50 0 GFAARO C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000241869068 209020563 /nfs/dbraw/zinc/02/05/63/209020563.db2.gz SUEPTQLNXRRMPH-WQVCFCJDSA-N 1 0 383.414 2.578 50 0 GFAARO COCCn1c(CN(C)Cc2[nH]c3ccccc3c2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244715759 209022163 /nfs/dbraw/zinc/02/21/63/209022163.db2.gz LBQQXCQXKOCSKA-IYBDPMFKSA-N 1 0 382.512 2.551 50 0 GFAARO O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)c1cc(F)ccc1F ZINC000244942755 209026414 /nfs/dbraw/zinc/02/64/14/209026414.db2.gz CYJWZSXNQUGKTH-UHFFFAOYSA-N 1 0 390.521 2.851 50 0 GFAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)nc2ccccc21 ZINC000248163543 209030856 /nfs/dbraw/zinc/03/08/56/209030856.db2.gz YUNRJXBKEGPSOT-GOSISDBHSA-N 1 0 383.540 2.603 50 0 GFAARO COc1cccc(-c2ccccc2NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000299784177 209088278 /nfs/dbraw/zinc/08/82/78/209088278.db2.gz LJJRLUHTYFHUKR-SFHVURJKSA-N 1 0 380.492 2.874 50 0 GFAARO O=C1O[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000012755807 221225704 /nfs/dbraw/zinc/22/57/04/221225704.db2.gz GHCIVNMTTRFVGM-LSDHHAIUSA-N 1 0 384.402 2.596 50 0 GFAARO Cc1cc(=O)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)nn1-c1ccccc1F ZINC000016504009 221364578 /nfs/dbraw/zinc/36/45/78/221364578.db2.gz ONFKSUFILWJTTK-UHFFFAOYSA-N 1 0 394.450 2.672 50 0 GFAARO Cc1ccc([C@@H](C)NC(=O)CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000082109657 136173777 /nfs/dbraw/zinc/17/37/77/136173777.db2.gz PWJMKBQZHGJBOE-QGZVFWFLSA-N 1 0 392.503 2.753 50 0 GFAARO CC(=O)NCc1ccc(-c2ccc3ncnc(N4CC[NH+](C)CC4)c3c2)cc1 ZINC000096166305 136184903 /nfs/dbraw/zinc/18/49/03/136184903.db2.gz UNPRPQBGDQLKID-UHFFFAOYSA-N 1 0 375.476 2.685 50 0 GFAARO CCNC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000097082151 136188052 /nfs/dbraw/zinc/18/80/52/136188052.db2.gz SZXNLQLCAGOFAT-MRXNPFEDSA-N 1 0 378.904 2.619 50 0 GFAARO Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(c4cccc(O)c4)CC3)c2cc1C ZINC000132833276 136192931 /nfs/dbraw/zinc/19/29/31/136192931.db2.gz VLVBKNDJBWOQJA-HXUWFJFHSA-N 1 0 380.492 2.542 50 0 GFAARO COc1ccc(NC(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)c(F)c1 ZINC000426433936 534102504 /nfs/dbraw/zinc/10/25/04/534102504.db2.gz BZEIZCAJACTOJV-INIZCTEOSA-N 1 0 378.492 2.858 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@H]3CC[N@H+](C)C3)csc2C1 ZINC000426737544 534360049 /nfs/dbraw/zinc/36/00/49/534360049.db2.gz TUJNCYXFEBNIAE-HNNXBMFYSA-N 1 0 388.537 2.687 50 0 GFAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CCC(n2cnnc2)CC1 ZINC000426662517 534627522 /nfs/dbraw/zinc/62/75/22/534627522.db2.gz VLWYEQLKYOGXEA-HXUWFJFHSA-N 1 0 382.512 2.852 50 0 GFAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000241124126 524635840 /nfs/dbraw/zinc/63/58/40/524635840.db2.gz JFUWFOXPLAYQLI-MJQMVNBJSA-N 1 0 389.565 2.684 50 0 GFAARO CC[N@@H+]1CC[C@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426465293 527878589 /nfs/dbraw/zinc/87/85/89/527878589.db2.gz RBGQWBWRXQDCLX-HNNXBMFYSA-N 1 0 388.537 2.735 50 0 GFAARO CCCC[NH+]1CCN(C(=O)c2cccc(-c3cc(OC)nc(OC)n3)c2)CC1 ZINC000426720018 528473571 /nfs/dbraw/zinc/47/35/71/528473571.db2.gz SRUTWHNSJYJIKB-UHFFFAOYSA-N 1 0 384.480 2.719 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000058161470 535121950 /nfs/dbraw/zinc/12/19/50/535121950.db2.gz ULCDONSATCAQEK-QGZVFWFLSA-N 1 0 394.947 2.528 50 0 GFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)C1 ZINC000084713767 535131587 /nfs/dbraw/zinc/13/15/87/535131587.db2.gz LZIVSHNPXFMHFQ-KSZLIROESA-N 1 0 389.544 2.795 50 0 GFAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000007728822 551101533 /nfs/dbraw/zinc/10/15/33/551101533.db2.gz MSMWTGSVNGZJTD-UHFFFAOYSA-N 1 0 381.361 2.911 50 0 GFAARO OCC[NH2+]CCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000020477676 551115421 /nfs/dbraw/zinc/11/54/21/551115421.db2.gz HSVWYACLDDTQRY-UHFFFAOYSA-N 1 0 379.298 2.700 50 0 GFAARO Cc1csc(=O)n1CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573837 551122944 /nfs/dbraw/zinc/12/29/44/551122944.db2.gz HQMLSBCOOJRPFP-OAHLLOKOSA-N 1 0 379.551 2.869 50 0 GFAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000055240498 551171636 /nfs/dbraw/zinc/17/16/36/551171636.db2.gz APFMZNMIZIZSRW-GFCCVEGCSA-N 1 0 393.322 2.989 50 0 GFAARO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000225671624 553059700 /nfs/dbraw/zinc/05/97/00/553059700.db2.gz NISVOVOKWOGNAV-CABCVRRESA-N 1 0 381.325 2.822 50 0 GFAARO COCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(Cl)s2)C1 ZINC000670473318 565724400 /nfs/dbraw/zinc/72/44/00/565724400.db2.gz OSNSDYFREOMTSS-JTQLQIEISA-N 1 0 387.354 2.692 50 0 GFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cn2)CC1 ZINC000048290693 570229389 /nfs/dbraw/zinc/22/93/89/570229389.db2.gz WKKAMOFCHXWTID-UHFFFAOYSA-N 1 0 389.503 2.944 50 0 GFAARO COc1ccc2c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1 ZINC000085879008 570263649 /nfs/dbraw/zinc/26/36/49/570263649.db2.gz HQXUKSDVAQHLDV-ZBFHGGJFSA-N 1 0 378.428 2.583 50 0 GFAARO C[NH+](C)Cc1ccccc1CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000012875693 570274714 /nfs/dbraw/zinc/27/47/14/570274714.db2.gz QXGCFLFFPBUVLI-UHFFFAOYSA-N 1 0 394.519 2.852 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840417 570288863 /nfs/dbraw/zinc/28/88/63/570288863.db2.gz PCJUIABZZHJNSY-UHFFFAOYSA-N 1 0 376.526 2.564 50 0 GFAARO O=c1oc2ccccc2n1CCN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000216251104 570297716 /nfs/dbraw/zinc/29/77/16/570297716.db2.gz NQTXXVLDRMVCRQ-FQEVSTJZSA-N 1 0 377.488 2.770 50 0 GFAARO C[NH+](CCCNC(=O)c1ccccc1F)CCCNC(=O)c1ccccc1F ZINC000002849760 570308347 /nfs/dbraw/zinc/30/83/47/570308347.db2.gz UOKQOHHBKQFCCG-UHFFFAOYSA-N 1 0 389.446 2.837 50 0 GFAARO COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCC[NH+](C)C)cc3)cc2c1 ZINC000012323211 570314309 /nfs/dbraw/zinc/31/43/09/570314309.db2.gz GOLITMFVZMYTBE-UHFFFAOYSA-N 1 0 396.443 2.525 50 0 GFAARO COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035485486 570374900 /nfs/dbraw/zinc/37/49/00/570374900.db2.gz YGFGHFAQTPWSPB-NRFANRHFSA-N 1 0 393.487 2.587 50 0 GFAARO CCC[NH+]1CCC(CC(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)CC1 ZINC000220009816 570380311 /nfs/dbraw/zinc/38/03/11/570380311.db2.gz AOKRZAJYWGOKBF-WOJBJXKFSA-N 1 0 378.488 2.990 50 0 GFAARO COc1ccc(C(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1 ZINC000090607910 570383323 /nfs/dbraw/zinc/38/33/23/570383323.db2.gz LKJOBVWIVAMXQP-UHFFFAOYSA-N 1 0 378.436 2.774 50 0 GFAARO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004676944 570392570 /nfs/dbraw/zinc/39/25/70/570392570.db2.gz BCUYNVWVMXPHKO-UHFFFAOYSA-N 1 0 378.520 2.638 50 0 GFAARO C[NH+](C)C1(c2nnnn2-c2ccc3c(c2)OCCO3)C2CC3CC(C2)CC1C3 ZINC000035622361 570404277 /nfs/dbraw/zinc/40/42/77/570404277.db2.gz CASWOLPARJRDFZ-UHFFFAOYSA-N 1 0 381.480 2.647 50 0 GFAARO COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000013009117 570416158 /nfs/dbraw/zinc/41/61/58/570416158.db2.gz GZLVKMPELYRJGO-GOSISDBHSA-N 1 0 399.491 2.752 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000032951903 570427891 /nfs/dbraw/zinc/42/78/91/570427891.db2.gz BCVMDYMBFIXSGD-UHFFFAOYSA-N 1 0 393.553 2.922 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4C)C3=O)c2c1 ZINC000005274547 570432937 /nfs/dbraw/zinc/43/29/37/570432937.db2.gz MTCYSBNJEWTUMO-LJQANCHMSA-N 1 0 377.444 2.949 50 0 GFAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C ZINC000006586665 570484526 /nfs/dbraw/zinc/48/45/26/570484526.db2.gz ICDBILCBWYLLDS-MRXNPFEDSA-N 1 0 397.523 2.735 50 0 GFAARO COc1ccc(Cc2nc3c4c(C)c(C)n(CC[NH+](C)C)c4ncn3n2)cc1 ZINC000006760227 570492538 /nfs/dbraw/zinc/49/25/38/570492538.db2.gz XSVZADULYSSSPO-UHFFFAOYSA-N 1 0 378.480 2.857 50 0 GFAARO CCC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)NC(=O)N1CC ZINC000035991357 570505156 /nfs/dbraw/zinc/50/51/56/570505156.db2.gz PWUGESSWIDLILX-LJQANCHMSA-N 1 0 389.496 2.940 50 0 GFAARO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000072306654 570523131 /nfs/dbraw/zinc/52/31/31/570523131.db2.gz WZRAERYNDAUPRB-UHFFFAOYSA-N 1 0 398.503 2.981 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036079785 570529117 /nfs/dbraw/zinc/52/91/17/570529117.db2.gz BTVBFIDQRLWCRK-HXUWFJFHSA-N 1 0 387.505 2.760 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095665 570534993 /nfs/dbraw/zinc/53/49/93/570534993.db2.gz ZRNHWKFEZJMVCN-SFHVURJKSA-N 1 0 375.465 2.592 50 0 GFAARO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)c1 ZINC000035421668 570552744 /nfs/dbraw/zinc/55/27/44/570552744.db2.gz AAJIGGSWQGTEFZ-UHFFFAOYSA-N 1 0 393.531 2.810 50 0 GFAARO CCC(=O)N1c2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2C[C@H]1C ZINC000006730304 570556466 /nfs/dbraw/zinc/55/64/66/570556466.db2.gz UBMQRIZQSZMADD-MRXNPFEDSA-N 1 0 393.553 2.529 50 0 GFAARO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908307 570566885 /nfs/dbraw/zinc/56/68/85/570566885.db2.gz KEITYDJLOLCNTO-QGZVFWFLSA-N 1 0 385.533 2.878 50 0 GFAARO CC(=O)N[C@@H](CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000225462129 570576625 /nfs/dbraw/zinc/57/66/25/570576625.db2.gz DZCRISVAEFNDDJ-BEFAXECRSA-N 1 0 395.931 2.524 50 0 GFAARO CC[NH+](CC)CCN1C(=O)CC[C@@H]2CN(C(=O)/C=C/c3cccs3)CC[C@@H]21 ZINC000011870432 570588763 /nfs/dbraw/zinc/58/87/63/570588763.db2.gz IZCLBBDLTJFKOR-BULUQRFKSA-N 1 0 389.565 2.943 50 0 GFAARO O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011878354 570590430 /nfs/dbraw/zinc/59/04/30/570590430.db2.gz KZVKYXKUEVMIJR-IBGZPJMESA-N 1 0 392.503 2.543 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000039489797 570592506 /nfs/dbraw/zinc/59/25/06/570592506.db2.gz ZGYMLCPHDOXHEO-LJQANCHMSA-N 1 0 381.511 2.706 50 0 GFAARO Cc1c(C(=O)NCC[C@@H](C)[NH+]2CCCC2)cccc1-n1nnc2cccnc21 ZINC000064925860 570594587 /nfs/dbraw/zinc/59/45/87/570594587.db2.gz KSRRXLKIVBUAIP-OAHLLOKOSA-N 1 0 378.480 2.728 50 0 GFAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000011937714 570594876 /nfs/dbraw/zinc/59/48/76/570594876.db2.gz KOCLEEJVSHTNRB-LJQANCHMSA-N 1 0 395.503 2.891 50 0 GFAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)[C@H]1CCCO1 ZINC000011966096 570596287 /nfs/dbraw/zinc/59/62/87/570596287.db2.gz VLRDVESDIFMCFM-PKOBYXMFSA-N 1 0 376.472 2.635 50 0 GFAARO CC[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000225799575 570618541 /nfs/dbraw/zinc/61/85/41/570618541.db2.gz RSMKTDQTOGFYNZ-SFHVURJKSA-N 1 0 375.494 2.907 50 0 GFAARO Cc1nc2ccccc2n(CCC(=O)NCCC[N@@H+](C)C2CCCCC2)c1=O ZINC000033005279 570618689 /nfs/dbraw/zinc/61/86/89/570618689.db2.gz VWYRNGCZXSPCHS-UHFFFAOYSA-N 1 0 384.524 2.866 50 0 GFAARO CN1CC[N@H+](CCCNC(=O)COc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000036389784 570670917 /nfs/dbraw/zinc/67/09/17/570670917.db2.gz ZIHHIAHGOBAQGO-NRFANRHFSA-N 1 0 385.483 2.700 50 0 GFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000006881944 570677801 /nfs/dbraw/zinc/67/78/01/570677801.db2.gz ZJTGJOYXXQDLML-INIZCTEOSA-N 1 0 393.553 2.840 50 0 GFAARO COc1ccc(C2=NN(C(=O)C[NH2+]C(C)(C)CO)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000036393647 570678404 /nfs/dbraw/zinc/67/84/04/570678404.db2.gz NKWWTEVGXSSQEQ-FQEVSTJZSA-N 1 0 399.466 2.873 50 0 GFAARO NC(=O)CCn1cc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)c2ccccc21 ZINC000055119378 570683362 /nfs/dbraw/zinc/68/33/62/570683362.db2.gz AMCJYPXLBJRHPD-LJQANCHMSA-N 1 0 396.535 2.884 50 0 GFAARO Cc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCC[N@@H+](C)CC3)c2)c1 ZINC000055182682 570686205 /nfs/dbraw/zinc/68/62/05/570686205.db2.gz GXSVPYBABPOMTN-UHFFFAOYSA-N 1 0 380.492 2.823 50 0 GFAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@@H](C)CC(C)(C)O)CC1 ZINC000012597465 570690273 /nfs/dbraw/zinc/69/02/73/570690273.db2.gz NPJUCPYRQVYXKW-HNNXBMFYSA-N 1 0 390.524 2.980 50 0 GFAARO O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012791678 570714191 /nfs/dbraw/zinc/71/41/91/570714191.db2.gz LWIWNJZCGPHNDW-UHFFFAOYSA-N 1 0 398.470 2.837 50 0 GFAARO CCOC(=O)C1C(C[N@H+](CC)C(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 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CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000033078331 570804906 /nfs/dbraw/zinc/80/49/06/570804906.db2.gz SORNNJOASIJNGI-OAHLLOKOSA-N 1 0 387.553 2.682 50 0 GFAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071439949 570835183 /nfs/dbraw/zinc/83/51/83/570835183.db2.gz ILEOKZYYGBHKGP-LJQANCHMSA-N 1 0 389.455 2.825 50 0 GFAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012541028 570841297 /nfs/dbraw/zinc/84/12/97/570841297.db2.gz RFVJHKULARYHMH-NRFANRHFSA-N 1 0 378.476 2.534 50 0 GFAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000071721458 570844081 /nfs/dbraw/zinc/84/40/81/570844081.db2.gz QCUIBYSADYPGCU-FQEVSTJZSA-N 1 0 398.551 2.591 50 0 GFAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2cccnc2)CC1 ZINC000043959452 570844850 /nfs/dbraw/zinc/84/48/50/570844850.db2.gz BPBLKJXEMKABSY-UHFFFAOYSA-N 1 0 391.562 2.994 50 0 GFAARO O=C(Cc1ccccc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071753166 570847344 /nfs/dbraw/zinc/84/73/44/570847344.db2.gz LWPXCCJFLLJGQP-FQEVSTJZSA-N 1 0 383.536 2.555 50 0 GFAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071774435 570852823 /nfs/dbraw/zinc/85/28/23/570852823.db2.gz NXBMAYALIWIOAA-HXUWFJFHSA-N 1 0 383.536 2.934 50 0 GFAARO CCNC(=O)c1ccnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072129504 570868096 /nfs/dbraw/zinc/86/80/96/570868096.db2.gz DVVXCCPKCAPMJH-CEMLEFRQSA-N 1 0 376.504 2.898 50 0 GFAARO CCN(CC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072131857 570868728 /nfs/dbraw/zinc/86/87/28/570868728.db2.gz BKUAMDGKLQSHIZ-JOCHJYFZSA-N 1 0 393.531 2.877 50 0 GFAARO CCc1c(C)cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c(=O)n1C ZINC000072144920 570870890 /nfs/dbraw/zinc/87/08/90/570870890.db2.gz YEOPWHWEVWGEEI-IBGZPJMESA-N 1 0 381.520 2.993 50 0 GFAARO O=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051182415 570874808 /nfs/dbraw/zinc/87/48/08/570874808.db2.gz CXDONQBZRIOKBC-IBGZPJMESA-N 1 0 396.510 2.590 50 0 GFAARO Cc1ccccc1-c1noc(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072476787 570882306 /nfs/dbraw/zinc/88/23/06/570882306.db2.gz DZFCPMVETUPPID-UHFFFAOYSA-N 1 0 375.436 2.647 50 0 GFAARO CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000042379161 570890380 /nfs/dbraw/zinc/89/03/80/570890380.db2.gz AURZWLDIKJKQAL-HZPDHXFCSA-N 1 0 380.558 2.641 50 0 GFAARO O=C(C1CCCCC1)N1CCCN([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097112812 570895907 /nfs/dbraw/zinc/89/59/07/570895907.db2.gz FIRDEJMCEALNFH-NRFANRHFSA-N 1 0 383.536 2.902 50 0 GFAARO CCCOc1ccccc1CNC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000534660312 570916896 /nfs/dbraw/zinc/91/68/96/570916896.db2.gz YUQMVZPQNOGWLE-LJQANCHMSA-N 1 0 388.556 2.644 50 0 GFAARO CCN1CCN(C(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)CC1=O ZINC000534667671 570919950 /nfs/dbraw/zinc/91/99/50/570919950.db2.gz ZAFYUKZANZQRCG-HXUWFJFHSA-N 1 0 386.540 2.642 50 0 GFAARO CCCN(CCC)S(=O)(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000046796341 570934532 /nfs/dbraw/zinc/93/45/32/570934532.db2.gz VBFMFMUXOKGKOM-LJQANCHMSA-N 1 0 383.558 2.789 50 0 GFAARO COc1cc(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047416283 570955866 /nfs/dbraw/zinc/95/58/66/570955866.db2.gz DZRLJRZKJYVCTD-IYBDPMFKSA-N 1 0 378.513 2.739 50 0 GFAARO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 ZINC000252452923 570958405 /nfs/dbraw/zinc/95/84/05/570958405.db2.gz OPNBHGFMVUMHFF-ZYMBUUQJSA-N 1 0 399.535 2.961 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000252467392 570961626 /nfs/dbraw/zinc/96/16/26/570961626.db2.gz HSVGTSSLVJADAG-HZPDHXFCSA-N 1 0 380.483 2.965 50 0 GFAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000012197228 570962960 /nfs/dbraw/zinc/96/29/60/570962960.db2.gz RUXDPWQCPUFMLB-IBGZPJMESA-N 1 0 398.459 2.999 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2C)CC1 ZINC000011323690 570968190 /nfs/dbraw/zinc/96/81/90/570968190.db2.gz DHLUSGSFVYQIRP-UHFFFAOYSA-N 1 0 394.519 2.896 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ncccn2)CC1)CC(C)C ZINC000045537899 570992462 /nfs/dbraw/zinc/99/24/62/570992462.db2.gz HZOHEJLJNCATEO-GOSISDBHSA-N 1 0 376.549 2.501 50 0 GFAARO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000252549314 570994780 /nfs/dbraw/zinc/99/47/80/570994780.db2.gz RDTMYQSWXRHQEB-LSDHHAIUSA-N 1 0 379.419 2.555 50 0 GFAARO COc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)cc1C ZINC000095517823 571084738 /nfs/dbraw/zinc/08/47/38/571084738.db2.gz XEDNAJQISDWHLY-IBGZPJMESA-N 1 0 399.535 2.553 50 0 GFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1 ZINC000426374210 231209275 /nfs/dbraw/zinc/20/92/75/231209275.db2.gz MOIISTBYSDKSSB-LJQANCHMSA-N 1 0 376.464 2.700 50 0 GFAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1ccccc1OC(F)(F)F ZINC000426485624 231225853 /nfs/dbraw/zinc/22/58/53/231225853.db2.gz LYKZNBPHIXXXQC-ZDUSSCGKSA-N 1 0 382.386 2.565 50 0 GFAARO COCC[NH+]1CCC(CN(C)C(=O)c2ccc(-c3cncc(N)c3)cc2)CC1 ZINC000426647398 231249098 /nfs/dbraw/zinc/24/90/98/231249098.db2.gz WFZZWNMLNONHRU-UHFFFAOYSA-N 1 0 382.508 2.761 50 0 GFAARO CCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H]([NH3+])C2)cc1OCC ZINC000132590123 209113591 /nfs/dbraw/zinc/11/35/91/209113591.db2.gz NXBZXEHYSQJZEI-INIZCTEOSA-N 1 0 382.460 2.888 50 0 GFAARO CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000000625086 206308078 /nfs/dbraw/zinc/30/80/78/206308078.db2.gz YPFYLJNBJDDUFN-GOSISDBHSA-N 1 0 375.469 2.728 50 0 GFAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000000852356 206328112 /nfs/dbraw/zinc/32/81/12/206328112.db2.gz RZOOTQVPEHNXEY-SFHVURJKSA-N 1 0 398.459 2.567 50 0 GFAARO COc1cn(CC(=O)Nc2ccccc2F)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000009621977 206794935 /nfs/dbraw/zinc/79/49/35/206794935.db2.gz KIGJWSZRMBIYPW-UHFFFAOYSA-N 1 0 387.455 2.867 50 0 GFAARO COCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 ZINC000011872043 206840120 /nfs/dbraw/zinc/84/01/20/206840120.db2.gz 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OCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000015183953 207048652 /nfs/dbraw/zinc/04/86/52/207048652.db2.gz KKZIHHOUKCGZOH-UHFFFAOYSA-N 1 0 379.460 2.842 50 0 GFAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ncc(Br)cn2n1 ZINC000015319700 207050215 /nfs/dbraw/zinc/05/02/15/207050215.db2.gz JHZKYSMXDNEOKP-DOMZBBRYSA-N 1 0 393.285 2.913 50 0 GFAARO O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015864115 207064653 /nfs/dbraw/zinc/06/46/53/207064653.db2.gz VKQZRUCQMMCUFU-UHFFFAOYSA-N 1 0 389.858 2.553 50 0 GFAARO COc1cccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000017012498 207081179 /nfs/dbraw/zinc/08/11/79/207081179.db2.gz MNEDJZFVMHEIGQ-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000019226332 207108959 /nfs/dbraw/zinc/10/89/59/207108959.db2.gz CKWGBYLDZDCPIQ-KRWDZBQOSA-N 1 0 380.529 2.627 50 0 GFAARO CC(=O)c1cccc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 ZINC000019851019 207166941 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C[NH+](C)Cc1ccccc1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000024084793 207286920 /nfs/dbraw/zinc/28/69/20/207286920.db2.gz IQWDFFWGVBCBAB-UHFFFAOYSA-N 1 0 387.534 2.673 50 0 GFAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000024755166 207294274 /nfs/dbraw/zinc/29/42/74/207294274.db2.gz FIGNNOYEHMYWTL-KRWDZBQOSA-N 1 0 396.516 2.871 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000027587518 207329270 /nfs/dbraw/zinc/32/92/70/207329270.db2.gz FUWBRGJWPIIYKN-VQIMIIECSA-N 1 0 383.517 2.779 50 0 GFAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000012710126 207329429 /nfs/dbraw/zinc/32/94/29/207329429.db2.gz GHQJPEJMZFHNCF-WOJBJXKFSA-N 1 0 390.911 2.992 50 0 GFAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)CC1 ZINC000027573198 207326871 /nfs/dbraw/zinc/32/68/71/207326871.db2.gz XMHDOQSYWQKAOK-SFHVURJKSA-N 1 0 396.520 2.927 50 0 GFAARO COc1ccc([C@@H](CNC(=O)CN2CCSC2=O)[NH+]2CCCCC2)cc1 ZINC000027668203 207328432 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ZINC000091656040 208129672 /nfs/dbraw/zinc/12/96/72/208129672.db2.gz OUJDGPFTPUFDGD-QFIPXVFZSA-N 1 0 382.508 2.866 50 0 GFAARO O=C(c1cnc(Nc2ccccc2)nc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091693889 208131533 /nfs/dbraw/zinc/13/15/33/208131533.db2.gz RGSOBFZWMYJOKV-LJQANCHMSA-N 1 0 381.480 2.547 50 0 GFAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1CO ZINC000091678777 208133278 /nfs/dbraw/zinc/13/32/78/208133278.db2.gz JIHCURFPCXDSIA-VXGBXAGGSA-N 1 0 378.822 2.991 50 0 GFAARO COc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000089499614 208104975 /nfs/dbraw/zinc/10/49/75/208104975.db2.gz WGKSYFLLYUAMRF-HNNXBMFYSA-N 1 0 394.475 2.610 50 0 GFAARO CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC000091305884 208113902 /nfs/dbraw/zinc/11/39/02/208113902.db2.gz AOSUPTHAPKWPHI-AWEZNQCLSA-N 1 0 375.538 2.647 50 0 GFAARO COC(=O)C1CC[NH+](CCCNC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000095350357 208157566 /nfs/dbraw/zinc/15/75/66/208157566.db2.gz 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Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000091871429 208140554 /nfs/dbraw/zinc/14/05/54/208140554.db2.gz GORVRYHJVZQOSC-LJQANCHMSA-N 1 0 375.476 2.795 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cc(C)nc(C)n2)C3)cc1 ZINC000091934914 208143213 /nfs/dbraw/zinc/14/32/13/208143213.db2.gz RXUKKCIMWLSKIP-RBUKOAKNSA-N 1 0 380.492 2.839 50 0 GFAARO O=C(c1cc(-c2ccccc2)no1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091997762 208144092 /nfs/dbraw/zinc/14/40/92/208144092.db2.gz RIGTUIUDISYORR-RTBURBONSA-N 1 0 383.492 2.898 50 0 GFAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)C1 ZINC000091966049 208144996 /nfs/dbraw/zinc/14/49/96/208144996.db2.gz JKXGBGYFLRPUQJ-RTWAWAEBSA-N 1 0 397.563 2.978 50 0 GFAARO Cc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)nc(C)n1 ZINC000092062215 208148295 /nfs/dbraw/zinc/14/82/95/208148295.db2.gz CIOWVZQCRHXDDT-UHFFFAOYSA-N 1 0 382.512 2.758 50 0 GFAARO CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)ccn1 ZINC000092077421 208149047 /nfs/dbraw/zinc/14/90/47/208149047.db2.gz QSZIAQBJGMRMLQ-OXJNMPFZSA-N 1 0 376.504 2.827 50 0 GFAARO CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000095406057 208177457 /nfs/dbraw/zinc/17/74/57/208177457.db2.gz JWJCOGIDPYDGNE-MRXNPFEDSA-N 1 0 394.541 2.788 50 0 GFAARO O=S(=O)(Cc1ccccc1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000095399845 208177743 /nfs/dbraw/zinc/17/77/43/208177743.db2.gz VCRDHRYXOGNOLA-OAQYLSRUSA-N 1 0 388.533 2.552 50 0 GFAARO COc1cc(/C=C/C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000095450533 208183398 /nfs/dbraw/zinc/18/33/98/208183398.db2.gz FRVODMLLTISKQW-MVGZEHJDSA-N 1 0 376.497 2.914 50 0 GFAARO O=C(NC[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCCC1)Nc1ccccc1 ZINC000095461055 208189507 /nfs/dbraw/zinc/18/95/07/208189507.db2.gz SJUYSAZFBAHIJY-IBGZPJMESA-N 1 0 387.528 2.858 50 0 GFAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cncnc2C)cc1 ZINC000095498873 208196934 /nfs/dbraw/zinc/19/69/34/208196934.db2.gz OTTVFQBNDKOJLS-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000095497441 208198962 /nfs/dbraw/zinc/19/89/62/208198962.db2.gz QNHIUNLPXZCKBZ-KRWDZBQOSA-N 1 0 380.496 2.502 50 0 GFAARO FC(F)(F)c1nc2nc[nH]c2c(NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000095948762 208241645 /nfs/dbraw/zinc/24/16/45/208241645.db2.gz USOAAHMWZLFWTL-UHFFFAOYSA-N 1 0 384.406 2.819 50 0 GFAARO C[C@@H]([NH3+])C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000095508844 208211102 /nfs/dbraw/zinc/21/11/02/208211102.db2.gz AKBVNLZZPCEIHD-GOSISDBHSA-N 1 0 385.552 2.834 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc[nH]1 ZINC000095519688 208219644 /nfs/dbraw/zinc/21/96/44/208219644.db2.gz LPJKMFDMMGCCBU-GOSISDBHSA-N 1 0 381.520 2.983 50 0 GFAARO CCOc1ccc(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC)cc1 ZINC000095525090 208223876 /nfs/dbraw/zinc/22/38/76/208223876.db2.gz RWDKAXNCQNIVOJ-UHFFFAOYSA-N 1 0 382.508 2.747 50 0 GFAARO O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000095530009 208230092 /nfs/dbraw/zinc/23/00/92/208230092.db2.gz NQPNSSHFOBRWFT-FQEVSTJZSA-N 1 0 381.451 2.644 50 0 GFAARO CS[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000095939735 208238751 /nfs/dbraw/zinc/23/87/51/208238751.db2.gz UWLKEOOALBEPSH-KLIQENQMSA-N 1 0 387.549 2.933 50 0 GFAARO NC(=O)CN1CCC([NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000095996242 208251810 /nfs/dbraw/zinc/25/18/10/208251810.db2.gz LQUOOENBGAUICA-GOSISDBHSA-N 1 0 392.297 2.671 50 0 GFAARO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012790 208254398 /nfs/dbraw/zinc/25/43/98/208254398.db2.gz ZMQKDFKMZJAMDT-QHCPKHFHSA-N 1 0 392.547 2.599 50 0 GFAARO CCOc1ncccc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013558 208254573 /nfs/dbraw/zinc/25/45/73/208254573.db2.gz DEAWWIKOPVZFGN-PXNSSMCTSA-N 1 0 399.491 2.996 50 0 GFAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000096164815 208280898 /nfs/dbraw/zinc/28/08/98/208280898.db2.gz VGZBIZZKXADZTI-UHFFFAOYSA-N 1 0 380.496 2.931 50 0 GFAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000097165610 208341884 /nfs/dbraw/zinc/34/18/84/208341884.db2.gz CJPLVYFBTWOVHJ-OCCSQVGLSA-N 1 0 393.285 2.894 50 0 GFAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000097272347 208342901 /nfs/dbraw/zinc/34/29/01/208342901.db2.gz NXVCMKHZUYQDDU-GOSISDBHSA-N 1 0 378.476 2.665 50 0 GFAARO CCOc1cc2c(cc1CN1CC[N@H+](C)[C@]3(C1)CCC(=O)N(C)CC3)CCC2 ZINC000230180996 209005781 /nfs/dbraw/zinc/00/57/81/209005781.db2.gz KCDFFRLHVCWLKQ-HSZRJFAPSA-N 1 0 385.552 2.703 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1Cl ZINC000230202300 209005951 /nfs/dbraw/zinc/00/59/51/209005951.db2.gz WJKUVWKKOIDQCA-HXUWFJFHSA-N 1 0 379.932 2.867 50 0 GFAARO Cc1nc(C(C)C)cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230188211 209006345 /nfs/dbraw/zinc/00/63/45/209006345.db2.gz KTRQEVZUUCPYOO-JOCHJYFZSA-N 1 0 385.556 2.822 50 0 GFAARO CC(C)=CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299797353 209091355 /nfs/dbraw/zinc/09/13/55/209091355.db2.gz ONBNSBABWMRYCN-FQEVSTJZSA-N 1 0 376.472 2.863 50 0 GFAARO O=C(N1CCC(=O)N(CC[NH+]2CCCC2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000299799930 209089983 /nfs/dbraw/zinc/08/99/83/209089983.db2.gz WLPVPSUCJPFEIB-UHFFFAOYSA-N 1 0 389.927 2.528 50 0 GFAARO COc1ccc(C[NH+]2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)cc1C ZINC000299792089 209089876 /nfs/dbraw/zinc/08/98/76/209089876.db2.gz FKECIEWLQMPNEV-UHFFFAOYSA-N 1 0 383.496 2.668 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[NH+](C)C)cc1 ZINC000040063374 132393530 /nfs/dbraw/zinc/39/35/30/132393530.db2.gz SQZQWUALCUEUKL-WOJBJXKFSA-N 1 0 381.524 2.675 50 0 GFAARO C[NH2+]C1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000071764385 136166404 /nfs/dbraw/zinc/16/64/04/136166404.db2.gz XIOOFFAJFDVPEK-SFHVURJKSA-N 1 0 386.540 2.737 50 0 GFAARO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[N@H+](C)CCc3cn[nH]c3)cc2c1 ZINC000072433605 136170278 /nfs/dbraw/zinc/17/02/78/136170278.db2.gz ZVFXNYLISFFJJZ-HXUWFJFHSA-N 1 0 379.508 2.902 50 0 GFAARO Cc1cc(C)nc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000085877135 136175421 /nfs/dbraw/zinc/17/54/21/136175421.db2.gz NFDKTFHFPOGECM-VQTJNVASSA-N 1 0 385.556 2.691 50 0 GFAARO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](CCC(=O)NC5CC5)CC4)c32)C1 ZINC000089930130 136175813 /nfs/dbraw/zinc/17/58/13/136175813.db2.gz NZJKVKRKPWKCLH-CQSZACIVSA-N 1 0 399.564 2.607 50 0 GFAARO Cn1ncnc1[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000095360187 136178158 /nfs/dbraw/zinc/17/81/58/136178158.db2.gz PFGKNGVUYSLGKU-MRXNPFEDSA-N 1 0 380.418 2.939 50 0 GFAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+](C)C1CCN(C)CC1 ZINC000001788887 136193335 /nfs/dbraw/zinc/19/33/35/136193335.db2.gz UMZKXUXCPWIZBL-UHFFFAOYSA-N 1 0 384.524 2.611 50 0 GFAARO COCc1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000024252033 136202761 /nfs/dbraw/zinc/20/27/61/136202761.db2.gz SOUGJOQYIIRVHT-UHFFFAOYSA-N 1 0 390.487 2.828 50 0 GFAARO C[NH+]1CCN(c2ccc(C(=O)NCCCc3nc4ccccc4o3)cc2)CC1 ZINC000220673605 136204721 /nfs/dbraw/zinc/20/47/21/136204721.db2.gz DJCYWSVWPKHZGO-UHFFFAOYSA-N 1 0 378.476 2.942 50 0 GFAARO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000000803529 522156027 /nfs/dbraw/zinc/15/60/27/522156027.db2.gz QAHZSXRBOQXPSB-UHFFFAOYSA-N 1 0 385.464 2.717 50 0 GFAARO COc1ccc([C@H](CNC(=O)CCc2nc3cccnc3[nH]2)[NH+]2CCCC2)cc1 ZINC000079495477 525354071 /nfs/dbraw/zinc/35/40/71/525354071.db2.gz YLODQDPQLWCIFH-IBGZPJMESA-N 1 0 393.491 2.852 50 0 GFAARO Cc1ccc(OC2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)cc1C ZINC000178430328 525374628 /nfs/dbraw/zinc/37/46/28/525374628.db2.gz SWIVDSTZMMDMCJ-UHFFFAOYSA-N 1 0 383.496 2.503 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2cncc(Br)c2)[NH+](C)C)cc1 ZINC000003422524 551093519 /nfs/dbraw/zinc/09/35/19/551093519.db2.gz OKLINPZPAOUHLX-INIZCTEOSA-N 1 0 378.270 2.885 50 0 GFAARO Nc1nc(N2CCC[C@@H](OC(=O)c3cc(Br)ccc3F)C2)cc[nH+]1 ZINC000225743074 553060016 /nfs/dbraw/zinc/06/00/16/553060016.db2.gz IMCKGUWPQCMMIL-LLVKDONJSA-N 1 0 395.232 2.786 50 0 GFAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000047791541 570215256 /nfs/dbraw/zinc/21/52/56/570215256.db2.gz ZNGZJVSIYNVUNI-UHFFFAOYSA-N 1 0 383.481 2.591 50 0 GFAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047894108 570216658 /nfs/dbraw/zinc/21/66/58/570216658.db2.gz QYHFEPVLBGYTQM-KDURUIRLSA-N 1 0 385.552 2.989 50 0 GFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)CCn2cnc3ccccc32)C1 ZINC000048354529 570241979 /nfs/dbraw/zinc/24/19/79/570241979.db2.gz WDILYIXRQIWVAJ-HKUYNNGSSA-N 1 0 398.532 2.791 50 0 GFAARO Cc1cccc(C[NH+]2CCC(NC(=O)CNC(=O)Cc3cccc(F)c3)CC2)c1 ZINC000048364001 570245274 /nfs/dbraw/zinc/24/52/74/570245274.db2.gz SSYUJUBVHIKHFC-UHFFFAOYSA-N 1 0 397.494 2.574 50 0 GFAARO COc1cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104403074 570257894 /nfs/dbraw/zinc/25/78/94/570257894.db2.gz DGCWCTPRUOZQJM-QGZVFWFLSA-N 1 0 380.529 2.627 50 0 GFAARO CCCCN1C(=O)CC[C@H](C(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccccc1OC ZINC000236771106 570260725 /nfs/dbraw/zinc/26/07/25/570260725.db2.gz DLXWGVRQVUXGBE-RXVVDRJESA-N 1 0 387.524 2.597 50 0 GFAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2cccnc2)cc1OC ZINC000012319398 570307749 /nfs/dbraw/zinc/30/77/49/570307749.db2.gz OQQOVOWCAUMEFU-HXUWFJFHSA-N 1 0 387.524 2.804 50 0 GFAARO O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(C[NH+]2CCCCCC2)o1 ZINC000009688511 570311533 /nfs/dbraw/zinc/31/15/33/570311533.db2.gz BXYWTZSZLRKCJR-UHFFFAOYSA-N 1 0 383.448 2.880 50 0 GFAARO CNC(=O)NC(=O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1cccs1 ZINC000035286848 570351108 /nfs/dbraw/zinc/35/11/08/570351108.db2.gz XBQSYPGSTXMMRY-AWEZNQCLSA-N 1 0 375.494 2.646 50 0 GFAARO COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Cl ZINC000004302743 570366878 /nfs/dbraw/zinc/36/68/78/570366878.db2.gz SNQPVKNWPGVTNX-UHFFFAOYSA-N 1 0 390.933 2.945 50 0 GFAARO O=c1c2cccnc2ncn1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004360838 570370699 /nfs/dbraw/zinc/37/06/99/570370699.db2.gz QKCGYIGKXFQPJZ-UHFFFAOYSA-N 1 0 383.883 2.657 50 0 GFAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[NH+]4CCC(C)CC4)c3c2c1 ZINC000004961749 570382940 /nfs/dbraw/zinc/38/29/40/570382940.db2.gz XOGGYVBKJJYENP-UHFFFAOYSA-N 1 0 396.491 2.689 50 0 GFAARO C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000237656324 570387214 /nfs/dbraw/zinc/38/72/14/570387214.db2.gz BOMCJDSDVWXLMH-OXJNMPFZSA-N 1 0 386.517 2.860 50 0 GFAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc(OC)c1OC ZINC000004745193 570401823 /nfs/dbraw/zinc/40/18/23/570401823.db2.gz RZYNIPPEJBIZJE-KRWDZBQOSA-N 1 0 376.497 2.937 50 0 GFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccnc2)CC1 ZINC000242346955 570432868 /nfs/dbraw/zinc/43/28/68/570432868.db2.gz ZKOWLIRKPCQQET-WMQCIHAUSA-N 1 0 398.551 2.798 50 0 GFAARO COc1c2c(cc3c1[C@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000100755111 570440506 /nfs/dbraw/zinc/44/05/06/570440506.db2.gz TWOLFEWIKVSGFO-PMPSAXMXSA-N 1 0 377.481 2.909 50 0 GFAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2F)CC1 ZINC000223144040 570446770 /nfs/dbraw/zinc/44/67/70/570446770.db2.gz LEQLHCVLJHHNHH-IBGZPJMESA-N 1 0 379.495 2.916 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1 ZINC000179002423 570465925 /nfs/dbraw/zinc/46/59/25/570465925.db2.gz MSTTULPRZNUAHB-QGZVFWFLSA-N 1 0 375.476 2.924 50 0 GFAARO NC(=O)c1ccc(-c2nc3c([nH]2)C[N@H+](CC[C@H](O)c2ccccc2)CC3)cc1 ZINC000223766333 570483409 /nfs/dbraw/zinc/48/34/09/570483409.db2.gz WGIFKYFAAXTMNF-FQEVSTJZSA-N 1 0 376.460 2.657 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036079784 570529011 /nfs/dbraw/zinc/52/90/11/570529011.db2.gz BTVBFIDQRLWCRK-FQEVSTJZSA-N 1 0 387.505 2.760 50 0 GFAARO C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000072309746 570533212 /nfs/dbraw/zinc/53/32/12/570533212.db2.gz ARYFRYCROXVAEX-SFHVURJKSA-N 1 0 397.523 2.933 50 0 GFAARO COc1ccccc1N1CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000023281685 570539355 /nfs/dbraw/zinc/53/93/55/570539355.db2.gz ABYGUTOBLKCMAE-UHFFFAOYSA-N 1 0 392.503 2.815 50 0 GFAARO CCc1ccc(NC(=[NH2+])Nc2nc(CSc3ncccn3)cc(=O)[nH]2)cc1 ZINC000009111456 570549857 /nfs/dbraw/zinc/54/98/57/570549857.db2.gz ONSKSSKMZFBGNV-UHFFFAOYSA-N 1 0 381.465 2.873 50 0 GFAARO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)c1 ZINC000035421658 570552438 /nfs/dbraw/zinc/55/24/38/570552438.db2.gz OQWSTHCVWOHESB-UHFFFAOYSA-N 1 0 379.504 2.502 50 0 GFAARO COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CC[NH+](C)C)c(=N)c21 ZINC000005349076 570562826 /nfs/dbraw/zinc/56/28/26/570562826.db2.gz QLPZOIPFPSCMDP-IBGZPJMESA-N 1 0 392.459 2.924 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000364628922 570592226 /nfs/dbraw/zinc/59/22/26/570592226.db2.gz MQNAPHIQTNOJBC-QRVBRYPASA-N 1 0 394.537 2.554 50 0 GFAARO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 ZINC000012298204 570634873 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C[C@H](C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1)[NH+]1CCCC1 ZINC000067878396 570795888 /nfs/dbraw/zinc/79/58/88/570795888.db2.gz XOGROUCCZJBYAG-OAHLLOKOSA-N 1 0 375.517 2.516 50 0 GFAARO C[N@H+](Cc1cc(-c2ccncc2)no1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000067955103 570798441 /nfs/dbraw/zinc/79/84/41/570798441.db2.gz UVHMJRHMEUHFQC-UHFFFAOYSA-N 1 0 377.448 2.868 50 0 GFAARO CC[C@H](O)C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 ZINC000067983224 570800147 /nfs/dbraw/zinc/80/01/47/570800147.db2.gz QBXXDNPJNWFHKI-INIZCTEOSA-N 1 0 387.484 2.944 50 0 GFAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000065329544 570800795 /nfs/dbraw/zinc/80/07/95/570800795.db2.gz XSAQPIWXRDABLN-UHFFFAOYSA-N 1 0 398.463 2.603 50 0 GFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 ZINC000583647584 570804085 /nfs/dbraw/zinc/80/40/85/570804085.db2.gz NDOVSJSFJUILLN-HKUYNNGSSA-N 1 0 393.528 2.745 50 0 GFAARO O=C(c1coc(COc2cccc3cccnc32)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000071315007 570832222 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Cc1c(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000151838411 570898310 /nfs/dbraw/zinc/89/83/10/570898310.db2.gz NUTWSOSCESJKPA-UHFFFAOYSA-N 1 0 383.496 2.503 50 0 GFAARO C[C@H]1Cc2cc(CNC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2O1 ZINC000534632591 570910495 /nfs/dbraw/zinc/91/04/95/570910495.db2.gz HMXWEOKECHXEHX-HNNXBMFYSA-N 1 0 375.538 2.733 50 0 GFAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000023127611 570912937 /nfs/dbraw/zinc/91/29/37/570912937.db2.gz WDGYMJHFTBGGET-UHFFFAOYSA-N 1 0 382.526 2.637 50 0 GFAARO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000252474958 570964496 /nfs/dbraw/zinc/96/44/96/570964496.db2.gz PJJKHFJPTSLZAU-JKSUJKDBSA-N 1 0 380.483 2.822 50 0 GFAARO C[N@@H+]1CC[C@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@H]1c1ccccc1 ZINC000107540592 570974234 /nfs/dbraw/zinc/97/42/34/570974234.db2.gz JOCCCRMUZJUWLX-FXAWDEMLSA-N 1 0 377.448 2.626 50 0 GFAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000083877664 570974527 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GFAARO Cn1c(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000426541203 231238800 /nfs/dbraw/zinc/23/88/00/231238800.db2.gz DTTWDPRAUPTVQC-CYBMUJFWSA-N 1 0 383.418 2.828 50 0 GFAARO O=C(NCc1nc2cc(Cl)ccc2[nH]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426574798 231242124 /nfs/dbraw/zinc/24/21/24/231242124.db2.gz SGAWNERHBXYYIE-UHFFFAOYSA-N 1 0 393.944 2.939 50 0 GFAARO Cc1cnc(-c2ccc(C(=O)N(C)C[C@@]3(C)CC[N@H+](C)C3)cc2)nc1N(C)C ZINC000426615175 231246849 /nfs/dbraw/zinc/24/68/49/231246849.db2.gz PTPGCEUVNMKBJM-QFIPXVFZSA-N 1 0 381.524 2.932 50 0 GFAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCC(OCc2ccccc2)CC1 ZINC000426701468 231254684 /nfs/dbraw/zinc/25/46/84/231254684.db2.gz RBKIGCBIGPCVAP-LJQANCHMSA-N 1 0 382.508 2.558 50 0 GFAARO CN1CC[N@H+](CCCNC(=O)COc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000032818683 206226457 /nfs/dbraw/zinc/22/64/57/206226457.db2.gz ZIHHIAHGOBAQGO-OAQYLSRUSA-N 1 0 385.483 2.700 50 0 GFAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044696 206246563 /nfs/dbraw/zinc/24/65/63/206246563.db2.gz VJQKNQNMTHTCCH-FQEVSTJZSA-N 1 0 381.476 2.872 50 0 GFAARO COc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc(OC)c1OC ZINC000001179423 206363413 /nfs/dbraw/zinc/36/34/13/206363413.db2.gz GSVGRDKIAOKUHO-UHFFFAOYSA-N 1 0 376.497 2.937 50 0 GFAARO C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCC[NH+](C)C ZINC000005271947 206603814 /nfs/dbraw/zinc/60/38/14/206603814.db2.gz MLIZVZOJQHORGJ-LBPRGKRZSA-N 1 0 392.883 2.770 50 0 GFAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1)N1CCOCC1 ZINC000012193927 206868464 /nfs/dbraw/zinc/86/84/64/206868464.db2.gz WTNRFYKOGPSPHN-OAHLLOKOSA-N 1 0 394.899 2.920 50 0 GFAARO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014733470 207027697 /nfs/dbraw/zinc/02/76/97/207027697.db2.gz FZWHWFJUVKKNMW-SFHVURJKSA-N 1 0 398.576 2.819 50 0 GFAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000014742038 207028292 /nfs/dbraw/zinc/02/82/92/207028292.db2.gz BSVPVGXQDIQNMI-HNNXBMFYSA-N 1 0 388.537 2.722 50 0 GFAARO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CC(C)C)C1 ZINC000014746150 207028368 /nfs/dbraw/zinc/02/83/68/207028368.db2.gz PIVNQZZISVKFKY-DLBZAZTESA-N 1 0 393.503 2.511 50 0 GFAARO C[NH+](C)CCCN1C(=O)CC[C@@H]2CN(C(=O)/C=C/c3cccc(F)c3)CC[C@@H]21 ZINC000014878703 207031422 /nfs/dbraw/zinc/03/14/22/207031422.db2.gz OXMSNTTYJKCDED-YJWJXRIHSA-N 1 0 387.499 2.630 50 0 GFAARO CN(C(=O)CCN1CCCCC1=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014969112 207034480 /nfs/dbraw/zinc/03/44/80/207034480.db2.gz FDRQIDVQMPZQJB-OAQYLSRUSA-N 1 0 385.552 2.945 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cc(OC)ccc3F)CC2)CC1 ZINC000014966390 207034730 /nfs/dbraw/zinc/03/47/30/207034730.db2.gz YVYIHLAPWXFBJI-UHFFFAOYSA-N 1 0 391.531 2.991 50 0 GFAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NC1Cc3ccccc3C1)C2 ZINC000015009221 207040543 /nfs/dbraw/zinc/04/05/43/207040543.db2.gz BMBNUGULIPWOIA-MRXNPFEDSA-N 1 0 380.488 2.952 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)cc2F)C3)CC1 ZINC000015779593 207061230 /nfs/dbraw/zinc/06/12/30/207061230.db2.gz HOFOBMGPPDIKPS-UHFFFAOYSA-N 1 0 387.478 2.845 50 0 GFAARO COc1cccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+](C)C)c1 ZINC000017794842 207091241 /nfs/dbraw/zinc/09/12/41/207091241.db2.gz LGBXORQZFOEATG-FQEVSTJZSA-N 1 0 381.476 2.855 50 0 GFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1 ZINC000017246014 207087480 /nfs/dbraw/zinc/08/74/80/207087480.db2.gz AZRMIGAPXLMHRA-UHFFFAOYSA-N 1 0 399.491 2.736 50 0 GFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 ZINC000018332286 207098339 /nfs/dbraw/zinc/09/83/39/207098339.db2.gz LQPDQSGQYCYRAZ-UHFFFAOYSA-N 1 0 387.465 2.803 50 0 GFAARO CN1CC[NH+](CCC(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000019839037 207166260 /nfs/dbraw/zinc/16/62/60/207166260.db2.gz GJIPJHMBIAAZKX-SFHVURJKSA-N 1 0 379.495 2.774 50 0 GFAARO COc1ccccc1CC[NH2+]Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000019839640 207167242 /nfs/dbraw/zinc/16/72/42/207167242.db2.gz YTYLXNQRUJUTAJ-UHFFFAOYSA-N 1 0 378.476 2.911 50 0 GFAARO CCOC(=O)C1=C(C[NH2+]CCc2ccccc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020213787 207184973 /nfs/dbraw/zinc/18/49/73/207184973.db2.gz KPMCSBYNCXUGRK-NRFANRHFSA-N 1 0 393.487 2.998 50 0 GFAARO Cc1n[nH]c(C)c1CN(C)c1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000020209135 207185042 /nfs/dbraw/zinc/18/50/42/207185042.db2.gz UPJITLSQIRSVPN-SFHVURJKSA-N 1 0 384.528 2.662 50 0 GFAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020263151 207186792 /nfs/dbraw/zinc/18/67/92/207186792.db2.gz HCVYXPXPOUKNBC-RYUDHWBXSA-N 1 0 377.416 2.531 50 0 GFAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2O)CC1 ZINC000020325448 207188972 /nfs/dbraw/zinc/18/89/72/207188972.db2.gz ZJJCRQUAHUCQPE-WOJBJXKFSA-N 1 0 389.927 2.783 50 0 GFAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000020537501 207201187 /nfs/dbraw/zinc/20/11/87/207201187.db2.gz PZQKQILJHPAIOD-GOSISDBHSA-N 1 0 379.495 2.774 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020565908 207202960 /nfs/dbraw/zinc/20/29/60/207202960.db2.gz DMDCLRFIYHUMCD-VPCSNGCSSA-N 1 0 389.883 2.517 50 0 GFAARO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875036 207218211 /nfs/dbraw/zinc/21/82/11/207218211.db2.gz JTZGNOATAXPJTG-UHFFFAOYSA-N 1 0 378.900 2.908 50 0 GFAARO Cc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000020906143 207219463 /nfs/dbraw/zinc/21/94/63/207219463.db2.gz QQYXGAUIHRFEME-UHFFFAOYSA-N 1 0 375.476 2.575 50 0 GFAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020911356 207220368 /nfs/dbraw/zinc/22/03/68/207220368.db2.gz OHGNPESXKXIDAV-MRXNPFEDSA-N 1 0 379.464 2.729 50 0 GFAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000020940257 207221064 /nfs/dbraw/zinc/22/10/64/207221064.db2.gz ZCRDCGUDTMEFMU-UHFFFAOYSA-N 1 0 395.503 2.519 50 0 GFAARO CCCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OCC ZINC000020933336 207221400 /nfs/dbraw/zinc/22/14/00/207221400.db2.gz QVUHJOCESFQXNU-UHFFFAOYSA-N 1 0 392.521 2.854 50 0 GFAARO C[NH+]1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795510 207262022 /nfs/dbraw/zinc/26/20/22/207262022.db2.gz GTPQNGKPMBXKLA-UHFFFAOYSA-N 1 0 392.503 2.786 50 0 GFAARO COc1cc(OC)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000023128805 207270331 /nfs/dbraw/zinc/27/03/31/207270331.db2.gz PEGYMLLXHLOHCT-SFHVURJKSA-N 1 0 392.540 2.914 50 0 GFAARO O=C(CCn1cnc2sccc2c1=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023742342 207283526 /nfs/dbraw/zinc/28/35/26/207283526.db2.gz JVEZIDSQYQXLCS-GOSISDBHSA-N 1 0 396.516 2.801 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023652256 207279855 /nfs/dbraw/zinc/27/98/55/207279855.db2.gz ZUTGZBUZGCQQJA-VQTJNVASSA-N 1 0 399.535 2.572 50 0 GFAARO Cc1cc(N(C)C)nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)[nH+]1 ZINC000038488323 207306842 /nfs/dbraw/zinc/30/68/42/207306842.db2.gz GWDSXYZMXJVOLE-UHFFFAOYSA-N 1 0 391.903 2.890 50 0 GFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000025101172 207300916 /nfs/dbraw/zinc/30/09/16/207300916.db2.gz FQLNKBWQEKUKMI-HNNXBMFYSA-N 1 0 386.521 2.565 50 0 GFAARO O=C(NCCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012597192 207325094 /nfs/dbraw/zinc/32/50/94/207325094.db2.gz HPCXLOISERVSPB-OAQYLSRUSA-N 1 0 397.563 2.848 50 0 GFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000027597241 207328986 /nfs/dbraw/zinc/32/89/86/207328986.db2.gz WOIKFYYPYGKTTR-NRFANRHFSA-N 1 0 397.519 2.797 50 0 GFAARO O=S(=O)(NCCc1[nH+]cc2ccccn21)c1ccc(Br)s1 ZINC000031773197 207384877 /nfs/dbraw/zinc/38/48/77/207384877.db2.gz ICNLBPOWBTYQES-UHFFFAOYSA-N 1 0 386.296 2.679 50 0 GFAARO COc1ccc(OC)c(CNC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1 ZINC000426566780 532960774 /nfs/dbraw/zinc/96/07/74/532960774.db2.gz BGMQWBIRPXLRFB-IBGZPJMESA-N 1 0 383.492 2.902 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 ZINC000048356261 207699457 /nfs/dbraw/zinc/69/94/57/207699457.db2.gz MOTBFXWKWCZGSS-IRXDYDNUSA-N 1 0 383.492 2.804 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074139 207707341 /nfs/dbraw/zinc/70/73/41/207707341.db2.gz PGFNWMGDSOZUNF-FQEVSTJZSA-N 1 0 389.515 2.915 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000067805663 207910659 /nfs/dbraw/zinc/91/06/59/207910659.db2.gz XCSKILIONZJZPC-APWZRJJASA-N 1 0 382.508 2.570 50 0 GFAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)Nc2ccc3c(c2)OCCO3)[nH+]1 ZINC000090607864 207926089 /nfs/dbraw/zinc/92/60/89/207926089.db2.gz KPYFSOXLJVKKQN-UHFFFAOYSA-N 1 0 394.435 2.581 50 0 GFAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000071771063 207960478 /nfs/dbraw/zinc/96/04/78/207960478.db2.gz GCPPHWBUOITRKC-IBGZPJMESA-N 1 0 395.503 2.898 50 0 GFAARO CCN(CC)C(=O)c1ccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)c(C)c1 ZINC000072426178 208022332 /nfs/dbraw/zinc/02/23/32/208022332.db2.gz XJBRZDJATPWSFA-UHFFFAOYSA-N 1 0 378.480 2.629 50 0 GFAARO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000078413820 208063636 /nfs/dbraw/zinc/06/36/36/208063636.db2.gz BEZMYLMYQVZWJI-QGZVFWFLSA-N 1 0 382.526 2.637 50 0 GFAARO O=C(CN1CCc2ccccc2C1)N[C@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC000082120565 208080568 /nfs/dbraw/zinc/08/05/68/208080568.db2.gz FWWAGBDNHFXQGV-QFIPXVFZSA-N 1 0 378.520 2.611 50 0 GFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000084535998 208091808 /nfs/dbraw/zinc/09/18/08/208091808.db2.gz MWJQWEJSDQAKFH-WOJBJXKFSA-N 1 0 395.503 2.799 50 0 GFAARO O=C([C@H]1CCC[NH2+]1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000091574379 208122628 /nfs/dbraw/zinc/12/26/28/208122628.db2.gz ULVWEFZNXKUALN-HXUWFJFHSA-N 1 0 385.458 2.950 50 0 GFAARO CN(C(=O)c1cnc(-c2ccccc2)[nH]c1=O)[C@H](C[NH+](C)C)c1ccccc1 ZINC000091664627 208131951 /nfs/dbraw/zinc/13/19/51/208131951.db2.gz BVZGWOYEGADNSR-LJQANCHMSA-N 1 0 376.460 2.812 50 0 GFAARO Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091755008 208136009 /nfs/dbraw/zinc/13/60/09/208136009.db2.gz AEXFSGMRJJTHNB-UHFFFAOYSA-N 1 0 379.508 2.506 50 0 GFAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)c3ccc4c(c3)CCC4)C2)CCC1=O ZINC000091779200 208138631 /nfs/dbraw/zinc/13/86/31/208138631.db2.gz XBRUZLIRAVFBRP-HSZRJFAPSA-N 1 0 383.536 2.582 50 0 GFAARO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000089694662 208106132 /nfs/dbraw/zinc/10/61/32/208106132.db2.gz ZYDQFAMHGFZFBN-SFHVURJKSA-N 1 0 384.524 2.929 50 0 GFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091440074 208116055 /nfs/dbraw/zinc/11/60/55/208116055.db2.gz ZWEHMWSJRVYCJL-HNNXBMFYSA-N 1 0 376.460 2.959 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(NCc3cnn(CC)c3)nc2)CC[N@@H+]1C(C)C ZINC000091477008 208119585 /nfs/dbraw/zinc/11/95/85/208119585.db2.gz NUNIBDRLQNTCDF-IBGZPJMESA-N 1 0 384.528 2.855 50 0 GFAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4ccccc4F)C3)n2)CC1 ZINC000091444974 208119634 /nfs/dbraw/zinc/11/96/34/208119634.db2.gz NSAKPZNSOQKYSM-KRWDZBQOSA-N 1 0 386.471 2.999 50 0 GFAARO CCOc1cccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000095352587 208159049 /nfs/dbraw/zinc/15/90/49/208159049.db2.gz LDKCTYFSNXYERN-QHCPKHFHSA-N 1 0 385.552 2.994 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1 ZINC000095366298 208163648 /nfs/dbraw/zinc/16/36/48/208163648.db2.gz XJNLJFWMWKHNCK-SFHVURJKSA-N 1 0 376.545 2.746 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c(F)c1 ZINC000095370013 208165351 /nfs/dbraw/zinc/16/53/51/208165351.db2.gz OJMZKIIDVIFHCF-MRXNPFEDSA-N 1 0 384.459 2.587 50 0 GFAARO Cc1ccc([C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@@H]2[NH3+])o1 ZINC000095370295 208167149 /nfs/dbraw/zinc/16/71/49/208167149.db2.gz OZKBQLDYTDUHFK-ZFWWWQNUSA-N 1 0 376.840 2.508 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095378446 208169710 /nfs/dbraw/zinc/16/97/10/208169710.db2.gz MNSFJXNFBWAWHS-PWRODBHTSA-N 1 0 377.488 2.694 50 0 GFAARO CCCCSc1nc(N)cc(NCC2([NH+]3CCN(C)CC3)CCCC2)n1 ZINC000095373861 208169828 /nfs/dbraw/zinc/16/98/28/208169828.db2.gz UCUVYDYWOFXGFE-UHFFFAOYSA-N 1 0 378.590 2.923 50 0 GFAARO Cn1cc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c2ccccc21 ZINC000095380801 208172403 /nfs/dbraw/zinc/17/24/03/208172403.db2.gz NMSPHGQLCFCROJ-KRWDZBQOSA-N 1 0 379.508 2.956 50 0 GFAARO CCCn1ncc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)c1C ZINC000091873400 208140459 /nfs/dbraw/zinc/14/04/59/208140459.db2.gz NLGKYHWDXYHXMN-UHFFFAOYSA-N 1 0 384.528 2.611 50 0 GFAARO Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cc1-c1ccccc1 ZINC000091943800 208143395 /nfs/dbraw/zinc/14/33/95/208143395.db2.gz CEDYKNZSTWJCOY-FXAWDEMLSA-N 1 0 394.519 2.803 50 0 GFAARO O=C(N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)C1([NH+]2CCCC2)CCCC1 ZINC000092065633 208150834 /nfs/dbraw/zinc/15/08/34/208150834.db2.gz QYSYSTXNWBFTQG-PZJWPPBQSA-N 1 0 382.552 2.913 50 0 GFAARO NC(=O)c1cccnc1N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388923 208175948 /nfs/dbraw/zinc/17/59/48/208175948.db2.gz ABQNIIRISCAEAG-IPMKNSEASA-N 1 0 384.430 2.525 50 0 GFAARO O=C(c1ccn(C(F)F)n1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095386384 208176001 /nfs/dbraw/zinc/17/60/01/208176001.db2.gz DJTSSRRKKRICCR-WMLDXEAASA-N 1 0 386.446 2.982 50 0 GFAARO O=C(Nc1ccc2c(c1)C(=O)NCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095398203 208179089 /nfs/dbraw/zinc/17/90/89/208179089.db2.gz RDNHKEQSFWGTOD-UHFFFAOYSA-N 1 0 378.476 2.759 50 0 GFAARO O=C(c1cncc(F)c1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392508 208180107 /nfs/dbraw/zinc/18/01/07/208180107.db2.gz BKIDEMBDKDQMOW-IOMROCGXSA-N 1 0 395.434 2.652 50 0 GFAARO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cccc(S(N)(=O)=O)c3)cc2)n1 ZINC000095469139 208190208 /nfs/dbraw/zinc/19/02/08/208190208.db2.gz DZTVTTHWCRSGOC-INIZCTEOSA-N 1 0 384.505 2.987 50 0 GFAARO NC(=O)CN1CCC([NH2+][C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000095466834 208190995 /nfs/dbraw/zinc/19/09/95/208190995.db2.gz VCZJUGGDDLZPML-LJQANCHMSA-N 1 0 392.425 2.729 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000095500024 208199916 /nfs/dbraw/zinc/19/99/16/208199916.db2.gz LXFAJUPMRXUWPF-OAHLLOKOSA-N 1 0 375.904 2.903 50 0 GFAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000095500562 208201906 /nfs/dbraw/zinc/20/19/06/208201906.db2.gz WPRCCOJBRFHHCT-HXUWFJFHSA-N 1 0 395.551 2.639 50 0 GFAARO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000095502388 208203556 /nfs/dbraw/zinc/20/35/56/208203556.db2.gz AKPHXUGZEMBOGP-KIAWPDGXSA-N 1 0 385.552 2.893 50 0 GFAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4c(s3)c(C)nn4C)CC2)C1 ZINC000095511484 208213327 /nfs/dbraw/zinc/21/33/27/208213327.db2.gz JTXPVJWQWLSQHQ-AWEZNQCLSA-N 1 0 391.541 2.582 50 0 GFAARO COc1ccc(CN2CC(c3ccccn3)C2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095511845 208215142 /nfs/dbraw/zinc/21/51/42/208215142.db2.gz QWCGRGSPGSAATQ-FQEVSTJZSA-N 1 0 399.535 2.770 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3c(c1)CCO3)CC2 ZINC000095521396 208219888 /nfs/dbraw/zinc/21/98/88/208219888.db2.gz UATOPEOVJJBHHI-UHFFFAOYSA-N 1 0 380.492 2.744 50 0 GFAARO O=C(CCC1CCN(C(=O)[C@H]2C=CC[NH2+]2)CC1)NCc1cccc(Cl)c1 ZINC000095529132 208229598 /nfs/dbraw/zinc/22/95/98/208229598.db2.gz WQBHCKMHBBFTNP-GOSISDBHSA-N 1 0 375.900 2.503 50 0 GFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2cccc(-n3cncn3)c2)CC1 ZINC000096151726 208275454 /nfs/dbraw/zinc/27/54/54/208275454.db2.gz NJNNLRLRRGTLCZ-UHFFFAOYSA-N 1 0 377.452 2.715 50 0 GFAARO NC(=O)CN1CCC([NH2+][C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000095996243 208250279 /nfs/dbraw/zinc/25/02/79/208250279.db2.gz LQUOOENBGAUICA-SFHVURJKSA-N 1 0 392.297 2.671 50 0 GFAARO C[N@H+]1CC=C(CNS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 ZINC000095993310 208250744 /nfs/dbraw/zinc/25/07/44/208250744.db2.gz JNWKJAIEUABWIV-UHFFFAOYSA-N 1 0 384.448 2.756 50 0 GFAARO Nc1ncccc1C[NH+]1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 ZINC000096179969 208284693 /nfs/dbraw/zinc/28/46/93/208284693.db2.gz GVCDYRGDVRKMHE-UHFFFAOYSA-N 1 0 381.528 2.566 50 0 GFAARO O=C(/C=C/c1ccco1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101660288 208395071 /nfs/dbraw/zinc/39/50/71/208395071.db2.gz VTGAHQMLDYLDAG-BQYQJAHWSA-N 1 0 393.443 2.656 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000015362009 208793154 /nfs/dbraw/zinc/79/31/54/208793154.db2.gz USWURBKFTZOOBX-UHFFFAOYSA-N 1 0 390.505 2.794 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022794204 208853725 /nfs/dbraw/zinc/85/37/25/208853725.db2.gz YEMASFNVWFPTJZ-IBGZPJMESA-N 1 0 389.446 2.692 50 0 GFAARO COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)cn1 ZINC000239869305 209018539 /nfs/dbraw/zinc/01/85/39/209018539.db2.gz CYAZSJDNAQCQLC-IBGZPJMESA-N 1 0 384.524 2.789 50 0 GFAARO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238152538 209018830 /nfs/dbraw/zinc/01/88/30/209018830.db2.gz IGCFUOWWCOPLJM-CTNGQTDRSA-N 1 0 379.504 2.534 50 0 GFAARO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc(OC)c1OC ZINC000240540888 209020125 /nfs/dbraw/zinc/02/01/25/209020125.db2.gz GPYSUEWPJNFKMS-PBHICJAKSA-N 1 0 385.464 2.954 50 0 GFAARO CSc1nn2c(nc(C[N@H+](C)[C@@H](C)Cc3ncccc3C)cc2=O)s1 ZINC000244795041 209023302 /nfs/dbraw/zinc/02/33/02/209023302.db2.gz QYNRWQCSUCUCSM-LBPRGKRZSA-N 1 0 375.523 2.639 50 0 GFAARO C[NH+](C)Cc1cccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 ZINC000244773718 209024371 /nfs/dbraw/zinc/02/43/71/209024371.db2.gz PFCVRKITMXVSOP-VWPQPMDRSA-N 1 0 380.488 2.925 50 0 GFAARO C[NH+](C)Cc1cccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 ZINC000244773717 209025028 /nfs/dbraw/zinc/02/50/28/209025028.db2.gz PFCVRKITMXVSOP-RZUBCFFCSA-N 1 0 380.488 2.925 50 0 GFAARO CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000252551868 209037089 /nfs/dbraw/zinc/03/70/89/209037089.db2.gz UILQDBUCBSIMBV-IBGZPJMESA-N 1 0 390.528 2.677 50 0 GFAARO CCc1oc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000299790143 209089523 /nfs/dbraw/zinc/08/95/23/209089523.db2.gz AQRHZYLRJZZPLN-KRWDZBQOSA-N 1 0 381.476 2.973 50 0 GFAARO Cc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)Cn3ccnc3)O2)CC1 ZINC000299782022 209088111 /nfs/dbraw/zinc/08/81/11/209088111.db2.gz FKXATPCJYACWTR-FQEVSTJZSA-N 1 0 382.508 2.522 50 0 GFAARO Cc1ccnc(N2CCN(C(=O)c3ccc(C[C@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000072172591 136167418 /nfs/dbraw/zinc/16/74/18/136167418.db2.gz VCJQKDHZDFAIPD-HXUWFJFHSA-N 1 0 378.520 2.895 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(N(C)C)[nH+]1 ZINC000072434107 136170295 /nfs/dbraw/zinc/17/02/95/136170295.db2.gz KXLXKZCZTQPUGR-UHFFFAOYSA-N 1 0 393.413 2.832 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095512610 136180680 /nfs/dbraw/zinc/18/06/80/136180680.db2.gz HSYQQMUAWVBRSF-SFHVURJKSA-N 1 0 383.544 2.609 50 0 GFAARO Cc1ccc2[nH]c(C3CCN(c4cc(C5CC([NH3+])C5)nc(N)n4)CC3)nc2c1 ZINC000219810022 136204466 /nfs/dbraw/zinc/20/44/66/136204466.db2.gz RVUPTFBQHXWIEJ-UHFFFAOYSA-N 1 0 377.496 2.832 50 0 GFAARO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000064164833 222071272 /nfs/dbraw/zinc/07/12/72/222071272.db2.gz RAWOHIWYAHGABO-QRFQSNJMSA-N 1 0 377.444 2.966 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426496671 534362041 /nfs/dbraw/zinc/36/20/41/534362041.db2.gz KQHKPVURBMBMJG-HNNXBMFYSA-N 1 0 388.537 2.593 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)C[NH+](C)C)csc2C1 ZINC000426489656 534364448 /nfs/dbraw/zinc/36/44/48/534364448.db2.gz PABKTEHQPOCSPZ-GFCCVEGCSA-N 1 0 376.526 2.591 50 0 GFAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CCC(Cn2ccnc2)CC1 ZINC000426422731 534617853 /nfs/dbraw/zinc/61/78/53/534617853.db2.gz CVKURRJMSSAPQE-UHFFFAOYSA-N 1 0 376.888 2.817 50 0 GFAARO CCCCC(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000065025382 534957320 /nfs/dbraw/zinc/95/73/20/534957320.db2.gz XDYUNFQILDVMRQ-INIZCTEOSA-N 1 0 387.528 2.635 50 0 GFAARO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1C ZINC000003583471 551093666 /nfs/dbraw/zinc/09/36/66/551093666.db2.gz PIGMKYOBKOJELR-CYBMUJFWSA-N 1 0 382.302 2.687 50 0 GFAARO C[C@H](CNC(=O)c1ccc(F)cc1I)[NH+]1CCCC1 ZINC000048128712 551155943 /nfs/dbraw/zinc/15/59/43/551155943.db2.gz YAWKNMMZGDPIAJ-SNVBAGLBSA-N 1 0 376.213 2.644 50 0 GFAARO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151354316 551412064 /nfs/dbraw/zinc/41/20/64/551412064.db2.gz HLSPSFNTYGPQFF-WFASDCNBSA-N 1 0 379.448 2.814 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000178973615 552181421 /nfs/dbraw/zinc/18/14/21/552181421.db2.gz PBSDARBIMWBLNP-LLVKDONJSA-N 1 0 375.694 2.939 50 0 GFAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000237327168 553076424 /nfs/dbraw/zinc/07/64/24/553076424.db2.gz FGLUKKMWZYHERX-ZJUUUORDSA-N 1 0 381.723 2.850 50 0 GFAARO O=S(=O)(CCN1CCC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000247299052 553120735 /nfs/dbraw/zinc/12/07/35/553120735.db2.gz DPWUTCDGLHTHCO-AWEZNQCLSA-N 1 0 377.337 2.937 50 0 GFAARO OCC[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751688 566087331 /nfs/dbraw/zinc/08/73/31/566087331.db2.gz QEIQGZXHIWFRRT-YJBOKZPZSA-N 1 0 383.330 2.716 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(NC[C@H](c2ccccc2)[NH+](C)C)nc1 ZINC000006083790 570239104 /nfs/dbraw/zinc/23/91/04/570239104.db2.gz QRPVYHHTCNFMSU-GOSISDBHSA-N 1 0 376.526 2.827 50 0 GFAARO C/C(=C\c1ccco1)CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105281236 570260509 /nfs/dbraw/zinc/26/05/09/570260509.db2.gz OUMKHDZOSQVYDL-JENJNIGESA-N 1 0 375.557 2.924 50 0 GFAARO O=C1[C@@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002183628 570277885 /nfs/dbraw/zinc/27/78/85/570277885.db2.gz NCQGMLSCJCEBNE-SFHVURJKSA-N 1 0 390.915 2.669 50 0 GFAARO COc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1Cn1cccn1 ZINC000215684658 570290718 /nfs/dbraw/zinc/29/07/18/570290718.db2.gz HSDNLGNJPVYSAY-UHFFFAOYSA-N 1 0 377.492 2.653 50 0 GFAARO OCCOc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1 ZINC000107100691 570308534 /nfs/dbraw/zinc/30/85/34/570308534.db2.gz BBNZZRSPGCNOGL-NRFANRHFSA-N 1 0 376.541 2.507 50 0 GFAARO COc1ccc(F)cc1[C@H]1CCc2nc(C(=O)NCC[NH+]3CCCC3)cn2C1 ZINC000034899036 570343289 /nfs/dbraw/zinc/34/32/89/570343289.db2.gz UINLSBIFVLYIJK-HNNXBMFYSA-N 1 0 386.471 2.586 50 0 GFAARO COC(=O)C1CC[NH+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000023192110 570349175 /nfs/dbraw/zinc/34/91/75/570349175.db2.gz JBWWUCZNIBWYSQ-UHFFFAOYSA-N 1 0 385.508 2.667 50 0 GFAARO C[C@@H]1CN(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000022612615 570371661 /nfs/dbraw/zinc/37/16/61/570371661.db2.gz DOJPEFRCUZPSKF-CALCHBBNSA-N 1 0 394.475 2.971 50 0 GFAARO O=C(Cn1ncc2c1c1ccccc1oc2=O)NCCC[NH+]1CCCCCC1 ZINC000005004192 570393607 /nfs/dbraw/zinc/39/36/07/570393607.db2.gz DVWBEIGSSFVARY-UHFFFAOYSA-N 1 0 382.464 2.525 50 0 GFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033061210 570400463 /nfs/dbraw/zinc/40/04/63/570400463.db2.gz MJNOJZAJAJLOMD-CQSZACIVSA-N 1 0 387.509 2.642 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000011715968 570429632 /nfs/dbraw/zinc/42/96/32/570429632.db2.gz HTSCOTNHZGTPPP-UHFFFAOYSA-N 1 0 389.521 2.830 50 0 GFAARO CCOc1ccccc1OCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000072278358 570463044 /nfs/dbraw/zinc/46/30/44/570463044.db2.gz QIKKSGAQUIMWOP-SFHVURJKSA-N 1 0 378.513 2.814 50 0 GFAARO O=C(NCc1ccc(Cn2ccnc2)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000072294931 570500953 /nfs/dbraw/zinc/50/09/53/570500953.db2.gz FRLKLZAOQUFEJX-UHFFFAOYSA-N 1 0 389.503 2.855 50 0 GFAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+]CCO)c1ccccc1CC2 ZINC000002963811 570538928 /nfs/dbraw/zinc/53/89/28/570538928.db2.gz NBANXQQLBHBHEY-UHFFFAOYSA-N 1 0 397.475 2.990 50 0 GFAARO CCOC(=O)CCNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000011878234 570590074 /nfs/dbraw/zinc/59/00/74/570590074.db2.gz GZHFILAUQHZWSM-IBGZPJMESA-N 1 0 389.540 2.844 50 0 GFAARO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000011878553 570590507 /nfs/dbraw/zinc/59/05/07/570590507.db2.gz IRVZWHQKBVHWMO-HXUWFJFHSA-N 1 0 381.524 2.859 50 0 GFAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3cnn(C(C)C)c3)CC2)CC1 ZINC000011879189 570590530 /nfs/dbraw/zinc/59/05/30/570590530.db2.gz PULXEAIFHRZWDU-UHFFFAOYSA-N 1 0 375.561 2.665 50 0 GFAARO O=C(Cc1ccccc1)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000011971735 570596380 /nfs/dbraw/zinc/59/63/80/570596380.db2.gz MMGIRZMYKAHPBE-NRFANRHFSA-N 1 0 379.504 2.954 50 0 GFAARO C[C@H](C[N@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1)c1ccccc1 ZINC000012002408 570597829 /nfs/dbraw/zinc/59/78/29/570597829.db2.gz FSMXPQYXAAULFD-QGZVFWFLSA-N 1 0 393.491 2.505 50 0 GFAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccccc3F)CC2)N(C)C1=O ZINC000096211060 570607988 /nfs/dbraw/zinc/60/79/88/570607988.db2.gz QEDSURJYXJAIJR-BBRMVZONSA-N 1 0 378.517 2.791 50 0 GFAARO O=C(CCN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012112262 570609174 /nfs/dbraw/zinc/60/91/74/570609174.db2.gz WCUPFYRSUUOBDA-QFIPXVFZSA-N 1 0 387.499 2.653 50 0 GFAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1)C(C1CC1)C1CC1 ZINC000012194131 570622585 /nfs/dbraw/zinc/62/25/85/570622585.db2.gz NFNNRBHRMPJJCT-LJQANCHMSA-N 1 0 387.568 2.746 50 0 GFAARO O=C(NCCc1cccs1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012200787 570624483 /nfs/dbraw/zinc/62/44/83/570624483.db2.gz MUEVSCTUDWYWKL-QGZVFWFLSA-N 1 0 389.565 2.520 50 0 GFAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2 ZINC000012281081 570632504 /nfs/dbraw/zinc/63/25/04/570632504.db2.gz MKXXLKLGXUNNIO-QGZVFWFLSA-N 1 0 393.491 2.853 50 0 GFAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cnn(C)c4C)CC3)on2)c1 ZINC000012430500 570659171 /nfs/dbraw/zinc/65/91/71/570659171.db2.gz HXOXQHODYVQFBW-UHFFFAOYSA-N 1 0 396.491 2.962 50 0 GFAARO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000229818672 570666927 /nfs/dbraw/zinc/66/69/27/570666927.db2.gz IPDSMUURMRECIW-OAGGEKHMSA-N 1 0 377.916 2.930 50 0 GFAARO O=C(CCOC[C@@H]1CCCO1)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153091763 570671300 /nfs/dbraw/zinc/67/13/00/570671300.db2.gz ONXRLYRXNBGDQJ-UXHICEINSA-N 1 0 398.507 2.854 50 0 GFAARO O=C(CCOC[C@@H]1CCCO1)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000153091651 570671369 /nfs/dbraw/zinc/67/13/69/570671369.db2.gz ONXRLYRXNBGDQJ-PMACEKPBSA-N 1 0 398.507 2.854 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000036397007 570681435 /nfs/dbraw/zinc/68/14/35/570681435.db2.gz RLEJPETWTLKCFF-HZPDHXFCSA-N 1 0 379.932 2.944 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2C)CC1 ZINC000012591986 570687682 /nfs/dbraw/zinc/68/76/82/570687682.db2.gz SMWVETDTOJLTIH-GOSISDBHSA-N 1 0 375.513 2.821 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnccn4)C3)C2)c1 ZINC000012713385 570703115 /nfs/dbraw/zinc/70/31/15/570703115.db2.gz NXCWZZGUSMSCFM-HSZRJFAPSA-N 1 0 394.519 2.933 50 0 GFAARO O=C(CCN1CCCCCC1=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012718671 570705986 /nfs/dbraw/zinc/70/59/86/570705986.db2.gz DSDUPVPSJOANMD-NRFANRHFSA-N 1 0 385.552 2.993 50 0 GFAARO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058130655 570710425 /nfs/dbraw/zinc/71/04/25/570710425.db2.gz OTFUYHQMNIURFI-KRWDZBQOSA-N 1 0 383.492 2.827 50 0 GFAARO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000058264644 570723749 /nfs/dbraw/zinc/72/37/49/570723749.db2.gz MGZKPKDEZSYCHJ-UHFFFAOYSA-N 1 0 376.482 2.584 50 0 GFAARO Cc1cccc(OCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000058312140 570726718 /nfs/dbraw/zinc/72/67/18/570726718.db2.gz KONAANJGXRCYNW-SFHVURJKSA-N 1 0 381.476 2.710 50 0 GFAARO CC(=O)[C@@H]1CC(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)=NN1c1ccccc1 ZINC000058324898 570727503 /nfs/dbraw/zinc/72/75/03/570727503.db2.gz LRRWRQSKOUHGAF-UWJYYQICSA-N 1 0 384.524 2.839 50 0 GFAARO C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000058330987 570727928 /nfs/dbraw/zinc/72/79/28/570727928.db2.gz XOJZTQDRCZLVLE-IRXDYDNUSA-N 1 0 377.554 2.837 50 0 GFAARO COc1ccc(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000058434947 570733666 /nfs/dbraw/zinc/73/36/66/570733666.db2.gz ZWEQGMIMRPJVFQ-GOSISDBHSA-N 1 0 381.476 2.574 50 0 GFAARO Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1 ZINC000012986965 570738098 /nfs/dbraw/zinc/73/80/98/570738098.db2.gz VTIZXVMCKFOQED-LJQANCHMSA-N 1 0 376.460 2.574 50 0 GFAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000013134153 570748370 /nfs/dbraw/zinc/74/83/70/570748370.db2.gz MGNZRUQLGFVWLY-WOJBJXKFSA-N 1 0 377.431 2.888 50 0 GFAARO CN1CCC([N@H+](CCc2ccccc2)Cc2ccccc2OCC(N)=O)CC1 ZINC000063844735 570750828 /nfs/dbraw/zinc/75/08/28/570750828.db2.gz IFLVSTSDARKMNC-UHFFFAOYSA-N 1 0 381.520 2.690 50 0 GFAARO CC(C)c1nsc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000065383585 570763509 /nfs/dbraw/zinc/76/35/09/570763509.db2.gz WUJCIUCPLDOGBA-HNNXBMFYSA-N 1 0 387.509 2.611 50 0 GFAARO O=C(CC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)Nc1nnc(C2CC2)s1 ZINC000065529597 570772246 /nfs/dbraw/zinc/77/22/46/570772246.db2.gz WMYCLCOSSLYTCS-UHFFFAOYSA-N 1 0 390.484 2.867 50 0 GFAARO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000013683416 570773938 /nfs/dbraw/zinc/77/39/38/570773938.db2.gz QGJFNYISYBGCCY-CQSZACIVSA-N 1 0 384.827 3.000 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272936 570779154 /nfs/dbraw/zinc/77/91/54/570779154.db2.gz KELHSPWKPUPHPO-INIZCTEOSA-N 1 0 389.565 2.691 50 0 GFAARO CN1CCNC(=O)C12CC[NH+](Cc1ccccc1OCc1ccccc1)CC2 ZINC000067559645 570781553 /nfs/dbraw/zinc/78/15/53/570781553.db2.gz KQAUJZDTQAQCDD-UHFFFAOYSA-N 1 0 379.504 2.662 50 0 GFAARO CC(C)(C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1)N1CCOCC1 ZINC000067758814 570790161 /nfs/dbraw/zinc/79/01/61/570790161.db2.gz PARHUBPCCGSPAW-HSZRJFAPSA-N 1 0 391.600 2.992 50 0 GFAARO CC[C@H]1CN(C(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)CC[NH2+]1 ZINC000067867337 570794524 /nfs/dbraw/zinc/79/45/24/570794524.db2.gz CGGMKKINTCVQMC-ZDUSSCGKSA-N 1 0 386.477 2.996 50 0 GFAARO CC(C)Cc1noc([C@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000067965658 570799158 /nfs/dbraw/zinc/79/91/58/570799158.db2.gz CWMNPZLGNPWJKV-ZDUSSCGKSA-N 1 0 379.468 2.939 50 0 GFAARO O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000065523056 570830101 /nfs/dbraw/zinc/83/01/01/570830101.db2.gz KUTFUHMWAUJVBN-KRWDZBQOSA-N 1 0 376.932 2.904 50 0 GFAARO CC(C)[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CCC[N@@H+]1CC1CC1 ZINC000071404064 570832690 /nfs/dbraw/zinc/83/26/90/570832690.db2.gz DADSVHRFFUILFG-FQEVSTJZSA-N 1 0 386.540 2.501 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)NCC2CC[NH2+]CC2)(Cc2ccccc2)C1=O ZINC000071404027 570833023 /nfs/dbraw/zinc/83/30/23/570833023.db2.gz KHLCSWFBBZTFIZ-DEOSSOPVSA-N 1 0 391.515 2.649 50 0 GFAARO CC[NH+](CC)CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071419086 570833658 /nfs/dbraw/zinc/83/36/58/570833658.db2.gz UJYYNXAVHSAGFT-IBGZPJMESA-N 1 0 377.504 2.753 50 0 GFAARO COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071422315 570833737 /nfs/dbraw/zinc/83/37/37/570833737.db2.gz SPZLSLYGMRCIES-HXUWFJFHSA-N 1 0 387.568 2.904 50 0 GFAARO CC(C)c1ncc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071589514 570840946 /nfs/dbraw/zinc/84/09/46/570840946.db2.gz FGZIWYQVWGRZFK-GOSISDBHSA-N 1 0 385.556 2.555 50 0 GFAARO COc1cc(Cn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)cc(OC)c1 ZINC000071738671 570844493 /nfs/dbraw/zinc/84/44/93/570844493.db2.gz FNVYAZXSTDDSOE-QGZVFWFLSA-N 1 0 394.475 2.567 50 0 GFAARO CC(C)c1nccn1CCCNC(=O)c1ccc(NC2CC[NH+](C)CC2)nc1 ZINC000071750268 570846839 /nfs/dbraw/zinc/84/68/39/570846839.db2.gz WQQSQGFDYREPSU-UHFFFAOYSA-N 1 0 384.528 2.728 50 0 GFAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071761950 570849748 /nfs/dbraw/zinc/84/97/48/570849748.db2.gz CBNFVAQWRYDILN-HXUWFJFHSA-N 1 0 383.536 2.758 50 0 GFAARO Oc1ccc(C2=CC[N@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032854349 570854811 /nfs/dbraw/zinc/85/48/11/570854811.db2.gz RQQITUGYUOOUIZ-FQEVSTJZSA-N 1 0 383.444 2.788 50 0 GFAARO COCCOCCOCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000170597537 570855577 /nfs/dbraw/zinc/85/55/77/570855577.db2.gz LRFQAMILCZTJFI-OAQYLSRUSA-N 1 0 392.540 2.535 50 0 GFAARO CCOC(=O)N1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000014950771 570865566 /nfs/dbraw/zinc/86/55/66/570865566.db2.gz LZSLLPLXCFCNBE-QGZVFWFLSA-N 1 0 395.450 2.620 50 0 GFAARO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072126543 570867573 /nfs/dbraw/zinc/86/75/73/570867573.db2.gz KDAWRJPCXHMSPH-CEWLAPEOSA-N 1 0 383.467 2.841 50 0 GFAARO CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)C1 ZINC000072140300 570869772 /nfs/dbraw/zinc/86/97/72/570869772.db2.gz VXUNRVZWVGLFLG-CQSZACIVSA-N 1 0 393.894 2.921 50 0 GFAARO NC(=O)c1cccnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072156919 570874497 /nfs/dbraw/zinc/87/44/97/570874497.db2.gz MMTOQPLVSFDCPX-OAQYLSRUSA-N 1 0 386.446 2.951 50 0 GFAARO C[NH+](C)C[C@]1(O)CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000072161900 570875825 /nfs/dbraw/zinc/87/58/25/570875825.db2.gz NAIXTNDEMJVVIO-NRFANRHFSA-N 1 0 388.533 2.821 50 0 GFAARO C[C@@H]1CCC[C@H](NC2=NNC(=C3C=NC(C(=O)N4CCCC4)=C3)CS2)[C@@H]1C ZINC000104980874 570911297 /nfs/dbraw/zinc/91/12/97/570911297.db2.gz KDDICYIKNRUZNB-PGNCXEMYSA-N 1 0 387.553 2.853 50 0 GFAARO CCOc1ccc(CCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OCC ZINC000534649246 570917766 /nfs/dbraw/zinc/91/77/66/570917766.db2.gz ZMOCRFJATJRMMY-HDICACEKSA-N 1 0 375.513 2.620 50 0 GFAARO CC[C@@H]1CN(C(=O)CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000251859385 570918200 /nfs/dbraw/zinc/91/82/00/570918200.db2.gz SPLJZHGLYWNQBJ-FSSWDIPSSA-N 1 0 385.552 2.753 50 0 GFAARO COc1cccc([C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)[NH+](C)C)c1 ZINC000052839198 570950021 /nfs/dbraw/zinc/95/00/21/570950021.db2.gz WNDYDGTZQORLJJ-NRFANRHFSA-N 1 0 395.503 2.850 50 0 GFAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2ccncc2)c1 ZINC000033278758 570953356 /nfs/dbraw/zinc/95/33/56/570953356.db2.gz LLSWRHJPVQJZDS-UHFFFAOYSA-N 1 0 382.464 2.651 50 0 GFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCNC(=O)c1ccccc1 ZINC000012700510 570966518 /nfs/dbraw/zinc/96/65/18/570966518.db2.gz CUDZKFDHBWZESM-PZJWPPBQSA-N 1 0 377.488 2.949 50 0 GFAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)nn1C ZINC000012229251 570972050 /nfs/dbraw/zinc/97/20/50/570972050.db2.gz WVHICMCRGRPLES-UHFFFAOYSA-N 1 0 379.436 2.825 50 0 GFAARO COc1ccc(COC[C@@H](O)C[NH2+]CCOc2ccc(C)cc2)cc1OC ZINC000007737960 571029683 /nfs/dbraw/zinc/02/96/83/571029683.db2.gz PEWSCWQZTFTKHI-SFHVURJKSA-N 1 0 375.465 2.558 50 0 GFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000002213829 571034895 /nfs/dbraw/zinc/03/48/95/571034895.db2.gz AZBHJRZWKAGWJN-SFHVURJKSA-N 1 0 398.459 2.914 50 0 GFAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000157772376 655102126 /nfs/dbraw/zinc/10/21/26/655102126.db2.gz HZINQVIYPSTXDH-YVZNUBBCSA-N 1 0 393.260 2.737 50 0 GFAARO C[NH+](C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000169790782 655143910 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2.634 50 0 GFAARO CCc1nccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 ZINC000426551045 529759570 /nfs/dbraw/zinc/75/95/70/529759570.db2.gz HGDNDURYVFNHPY-KRWDZBQOSA-N 1 0 383.544 2.533 50 0 GFAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1 ZINC000426376382 529780959 /nfs/dbraw/zinc/78/09/59/529780959.db2.gz NWMOBBSJTKEKNQ-MRXNPFEDSA-N 1 0 376.460 2.605 50 0 GFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000005027776 209119807 /nfs/dbraw/zinc/11/98/07/209119807.db2.gz AVRKSDIAESDLTH-APWZRJJASA-N 1 0 386.492 2.812 50 0 GFAARO C[NH2+][C@H]1CCCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)C1 ZINC000133272509 209113493 /nfs/dbraw/zinc/11/34/93/209113493.db2.gz ZWLUGJYWWWUJDX-HNNXBMFYSA-N 1 0 395.429 2.656 50 0 GFAARO Cc1nc(C[C@@H]2CCCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000225421390 206259076 /nfs/dbraw/zinc/25/90/76/206259076.db2.gz INPCZXPBOHDWBT-SFTDATJTSA-N 1 0 384.524 2.924 50 0 GFAARO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000222080113 206259484 /nfs/dbraw/zinc/25/94/84/206259484.db2.gz ZGCILIIUXPJJDC-XDNAFOTISA-N 1 0 389.496 2.945 50 0 GFAARO COCCC[NH+]1CCC(NC(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000096189921 206300583 /nfs/dbraw/zinc/30/05/83/206300583.db2.gz XRRVXVUIJUEPIV-ALCCZGGFSA-N 1 0 398.450 2.927 50 0 GFAARO OCC[NH+](CCO)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626542 206309102 /nfs/dbraw/zinc/30/91/02/206309102.db2.gz IUYHQXQULKHTOS-HNNXBMFYSA-N 1 0 397.302 2.749 50 0 GFAARO COc1ccc(S(=O)(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000000860157 206328954 /nfs/dbraw/zinc/32/89/54/206328954.db2.gz TYSAYJUMHQYUDB-UHFFFAOYSA-N 1 0 390.549 2.826 50 0 GFAARO CCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011874011 206840287 /nfs/dbraw/zinc/84/02/87/206840287.db2.gz UBSQWIMCUFLHKB-LJQANCHMSA-N 1 0 391.531 2.797 50 0 GFAARO O=C(CCNC(=O)c1ccco1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014230494 207016558 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0 GFAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3cccc4nccnc34)CC2)C1=O ZINC000014755869 207029660 /nfs/dbraw/zinc/02/96/60/207029660.db2.gz IWPCABGLKCWQKE-UHFFFAOYSA-N 1 0 381.480 2.514 50 0 GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCC(O)CC3)CC2)CC1 ZINC000015074568 207046542 /nfs/dbraw/zinc/04/65/42/207046542.db2.gz MJBICXQCTSYOBM-UHFFFAOYSA-N 1 0 399.579 2.655 50 0 GFAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000019223273 207110022 /nfs/dbraw/zinc/11/00/22/207110022.db2.gz ZPHGYESXEBLNTN-UHFFFAOYSA-N 1 0 393.491 2.519 50 0 GFAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](CCCn3cccn3)C2)CC1 ZINC000019217640 207107735 /nfs/dbraw/zinc/10/77/35/207107735.db2.gz ZPLMXGIPUWWQJG-HXUWFJFHSA-N 1 0 383.540 2.568 50 0 GFAARO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214244 207184658 /nfs/dbraw/zinc/18/46/58/207184658.db2.gz WXPGGVIAUXPESM-BIENJYKASA-N 1 0 389.471 2.975 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020388010 207189517 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395.503 2.959 50 0 GFAARO CC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000022804503 207261099 /nfs/dbraw/zinc/26/10/99/207261099.db2.gz HZSFFIBIGFFVBC-UHFFFAOYSA-N 1 0 377.492 2.850 50 0 GFAARO Cc1ncc2c(c1-c1noc(-c3cc[nH]n3)n1)CC[N@@H+](CC1CCOCC1)C2 ZINC000023250324 207272174 /nfs/dbraw/zinc/27/21/74/207272174.db2.gz BMNLWFWGDHCZPP-UHFFFAOYSA-N 1 0 380.452 2.615 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)CCc3nc4ccccc4s3)cn2)CC1 ZINC000023318201 207273674 /nfs/dbraw/zinc/27/36/74/207273674.db2.gz WZNASPSNOWGQER-UHFFFAOYSA-N 1 0 395.532 2.692 50 0 GFAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023372914 207275038 /nfs/dbraw/zinc/27/50/38/207275038.db2.gz MFVAXXHAGFZUGI-QHCPKHFHSA-N 1 0 395.547 2.844 50 0 GFAARO Cn1c(CCN2CC[NH+](C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000022930740 207265880 /nfs/dbraw/zinc/26/58/80/207265880.db2.gz PRJVPXAFOQMHAB-UHFFFAOYSA-N 1 0 383.540 2.882 50 0 GFAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CC[NH+](CC)CC2)c1=O ZINC000024022780 207286046 /nfs/dbraw/zinc/28/60/46/207286046.db2.gz IDOPVFLXJMZWKA-OAQYLSRUSA-N 1 0 385.508 2.618 50 0 GFAARO CCc1ccc([C@@H]([NH2+]CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 ZINC000024747455 207294948 /nfs/dbraw/zinc/29/49/48/207294948.db2.gz DRMFFKOGFRYAJI-UNMCSNQZSA-N 1 0 395.503 2.815 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)Cn1c2ccccc2oc1=O)[NH+]1CCCC1 ZINC000027570059 207327417 /nfs/dbraw/zinc/32/74/17/207327417.db2.gz MIWLMMWCANTFFK-SFHVURJKSA-N 1 0 395.459 2.556 50 0 GFAARO COc1cccc(CC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000040081457 207337276 /nfs/dbraw/zinc/33/72/76/207337276.db2.gz OAMHXDUUBAQFBX-QFIPXVFZSA-N 1 0 381.520 2.733 50 0 GFAARO CN1N=C(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CCC1=O ZINC000031078593 207379635 /nfs/dbraw/zinc/37/96/35/207379635.db2.gz RRYSTUYXXZCJAZ-UHFFFAOYSA-N 1 0 378.476 2.640 50 0 GFAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 ZINC000031766039 207385135 /nfs/dbraw/zinc/38/51/35/207385135.db2.gz NVPXNIMPNZWQFO-UHFFFAOYSA-N 1 0 375.513 2.944 50 0 GFAARO CC(C)(C)c1ccc(OCC(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000032593469 207397615 /nfs/dbraw/zinc/39/76/15/207397615.db2.gz PCZHKWFBHIAWKI-UHFFFAOYSA-N 1 0 387.568 2.993 50 0 GFAARO Cc1cccc2c(=O)n(CC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cnc12 ZINC000040146752 207584312 /nfs/dbraw/zinc/58/43/12/207584312.db2.gz ZAKCWKPETFVHKF-IRXDYDNUSA-N 1 0 384.524 2.579 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCC4(CCO4)CC3)C2=O)cc1 ZINC000067819153 207909569 /nfs/dbraw/zinc/90/95/69/207909569.db2.gz IYYLLAITJJJRNH-HSZRJFAPSA-N 1 0 386.536 2.918 50 0 GFAARO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000072296370 207991232 /nfs/dbraw/zinc/99/12/32/207991232.db2.gz OREKBYCWNCTTCY-GFCCVEGCSA-N 1 0 382.302 2.685 50 0 GFAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000072133495 207978175 /nfs/dbraw/zinc/97/81/75/207978175.db2.gz TWXGNFGAGLGSRW-UXHICEINSA-N 1 0 398.507 2.568 50 0 GFAARO O=C(CCc1cccnc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 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384.528 2.804 50 0 GFAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000084536000 208091904 /nfs/dbraw/zinc/09/19/04/208091904.db2.gz MWJQWEJSDQAKFH-UXHICEINSA-N 1 0 395.503 2.799 50 0 GFAARO CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O)C1CCCCC1 ZINC000091518575 208123423 /nfs/dbraw/zinc/12/34/23/208123423.db2.gz GYEVYALCYYBJHH-JOCHJYFZSA-N 1 0 375.557 2.892 50 0 GFAARO Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1N1CCNC1=O ZINC000091575399 208124434 /nfs/dbraw/zinc/12/44/34/208124434.db2.gz ORULFUOECKYZJH-HXUWFJFHSA-N 1 0 392.503 2.744 50 0 GFAARO CC(=O)c1cc(CN2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)n(C)c1 ZINC000091586090 208126263 /nfs/dbraw/zinc/12/62/63/208126263.db2.gz XWPOFNSPYWFUSD-UHFFFAOYSA-N 1 0 383.540 2.956 50 0 GFAARO CCSCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000089275279 208104434 /nfs/dbraw/zinc/10/44/34/208104434.db2.gz PXLOXEVTIFFXRA-SFHVURJKSA-N 1 0 379.570 2.762 50 0 GFAARO Cc1cccc(-n2cc(C[NH+]3CCC4(CC3)c3[nH]cnc3CCN4C)cn2)c1 ZINC000091493844 208120341 /nfs/dbraw/zinc/12/03/41/208120341.db2.gz YICFOAOTHZTDOI-UHFFFAOYSA-N 1 0 376.508 2.883 50 0 GFAARO CCCn1ncc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c1C ZINC000095356201 208158680 /nfs/dbraw/zinc/15/86/80/208158680.db2.gz UVPZHXNUKRDICA-QFIPXVFZSA-N 1 0 387.572 2.510 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncnc(Oc3cccnc3C)c1C)C2 ZINC000095367700 208162745 /nfs/dbraw/zinc/16/27/45/208162745.db2.gz CLTIWNKGELBDIN-QZTJIDSGSA-N 1 0 383.496 2.828 50 0 GFAARO CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095367259 208164036 /nfs/dbraw/zinc/16/40/36/208164036.db2.gz BBGWWVJIXFFDOY-KRWDZBQOSA-N 1 0 377.448 2.871 50 0 GFAARO CC[N@H+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095372752 208165827 /nfs/dbraw/zinc/16/58/27/208165827.db2.gz SMWXKZRQODWBOO-FQEVSTJZSA-N 1 0 383.536 2.725 50 0 GFAARO CC[NH+](CC)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095371655 208168120 /nfs/dbraw/zinc/16/81/20/208168120.db2.gz DMVOWQCVNSKGAB-ZLGUVYLKSA-N 1 0 377.479 2.695 50 0 GFAARO COc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000095378106 208170718 /nfs/dbraw/zinc/17/07/18/208170718.db2.gz VAZQEODQNVYXRZ-XMSQKQJNSA-N 1 0 390.499 2.810 50 0 GFAARO CN1CC[C@@]2(CN(Cc3cccc(F)c3C(F)(F)F)CC[N@@H+]2C)CCC1=O ZINC000095379396 208172508 /nfs/dbraw/zinc/17/25/08/208172508.db2.gz WIEYUJCTTXFYOB-GOSISDBHSA-N 1 0 387.421 2.973 50 0 GFAARO Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095379062 208172878 /nfs/dbraw/zinc/17/28/78/208172878.db2.gz OEPQEMIAVNXKEU-VLCRHTCISA-N 1 0 380.492 2.519 50 0 GFAARO CCn1cncc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091860418 208140616 /nfs/dbraw/zinc/14/06/16/208140616.db2.gz ZNAIQZKAJILMBM-UHFFFAOYSA-N 1 0 381.524 2.745 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cc(Cl)ccc3n2)C[C@@H]1CO ZINC000091894533 208140639 /nfs/dbraw/zinc/14/06/39/208140639.db2.gz WKNQVSWYZAQGNE-HZPDHXFCSA-N 1 0 377.916 2.820 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3ccc(SC)cc3n2)C[C@@H]1CO ZINC000092081814 208151098 /nfs/dbraw/zinc/15/10/98/208151098.db2.gz HJHKQUUVHQZXGP-IAGOWNOFSA-N 1 0 389.565 2.888 50 0 GFAARO CS[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000095946026 208242001 /nfs/dbraw/zinc/24/20/01/208242001.db2.gz ZHMJKCIAZFWUBK-ZWKOTPCHSA-N 1 0 380.521 2.832 50 0 GFAARO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095511359 208214084 /nfs/dbraw/zinc/21/40/84/208214084.db2.gz LHBDUWPGGCLRKR-IEBWSBKVSA-N 1 0 377.488 2.988 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)S(=O)(=O)N1CCCCC1 ZINC000095518668 208215465 /nfs/dbraw/zinc/21/54/65/208215465.db2.gz CAUUQLAFWLHNRR-GOSISDBHSA-N 1 0 397.560 2.743 50 0 GFAARO COc1ccc(C(=O)NCc2cccnc2N)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095518365 208215565 /nfs/dbraw/zinc/21/55/65/208215565.db2.gz GZHRKBUOMCLVDS-UHFFFAOYSA-N 1 0 398.507 2.854 50 0 GFAARO C[NH+]1CCC2(CC(=O)N(CC(=O)N3CCC[C@@H](c4ccccc4)CC3)C2)CC1 ZINC000095518893 208218014 /nfs/dbraw/zinc/21/80/14/208218014.db2.gz XVKTWUUCBUDGIG-HXUWFJFHSA-N 1 0 383.536 2.727 50 0 GFAARO Nc1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c(-c2ccccc2)n1 ZINC000095520513 208220809 /nfs/dbraw/zinc/22/08/09/208220809.db2.gz NHHVWKSVKDAAAS-SJLPKXTDSA-N 1 0 377.492 2.672 50 0 GFAARO Cc1nnc(CCC(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)[nH]1 ZINC000095520641 208220958 /nfs/dbraw/zinc/22/09/58/208220958.db2.gz MERAGUWQOJXDGJ-UHFFFAOYSA-N 1 0 387.503 2.598 50 0 GFAARO Cc1nc2c(c(N(C)CCCC[NH+]3CCOCC3)n1)Cc1ccccc1OC2 ZINC000095522600 208222454 /nfs/dbraw/zinc/22/24/54/208222454.db2.gz CULQLNHSAOLVNE-UHFFFAOYSA-N 1 0 382.508 2.817 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1Cn1c2ccc(C(=O)OC)cc2n(Cc2ccccn2)c1=O ZINC000095528825 208227895 /nfs/dbraw/zinc/22/78/95/208227895.db2.gz PAAXIHXJXANBPF-GOSISDBHSA-N 1 0 394.475 2.517 50 0 GFAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccc4nonc43)CC2)n1C1CC1 ZINC000096148258 208274973 /nfs/dbraw/zinc/27/49/73/208274973.db2.gz QLYGHCYFCCDTCA-UHFFFAOYSA-N 1 0 381.484 2.590 50 0 GFAARO C[C@@H]([NH2+][C@@H](C)CCCN1C(=O)c2ccccc2C1=O)c1nnc2n1CCCC2 ZINC000095968700 208246635 /nfs/dbraw/zinc/24/66/35/208246635.db2.gz DAACJUKNEOYBAJ-LSDHHAIUSA-N 1 0 381.480 2.730 50 0 GFAARO COc1cccc([C@H](CNC(=O)[C@@H](C)NC(=O)/C=C\c2ccccc2)[NH+](C)C)c1 ZINC000096129987 208266419 /nfs/dbraw/zinc/26/64/19/208266419.db2.gz XXLWZPKHPDCLJA-JLMIGJNSSA-N 1 0 395.503 2.632 50 0 GFAARO CCC(=O)Nc1ccc(F)c(NC(=O)N(CCOC)C2CC[NH+](C)CC2)c1 ZINC000096165188 208280606 /nfs/dbraw/zinc/28/06/06/208280606.db2.gz NFEHXQCXIRRRRK-UHFFFAOYSA-N 1 0 380.464 2.749 50 0 GFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000096162097 208282513 /nfs/dbraw/zinc/28/25/13/208282513.db2.gz YEQPJWBULZFEMP-OAQYLSRUSA-N 1 0 393.531 2.967 50 0 GFAARO COc1ccc(/C=C\C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000096947515 208332001 /nfs/dbraw/zinc/33/20/01/208332001.db2.gz PHYPGQMTSGWXOA-VUSZVFHXSA-N 1 0 376.497 2.721 50 0 GFAARO O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097173355 208344370 /nfs/dbraw/zinc/34/43/70/208344370.db2.gz POMVSZLQVJXTAX-AWEZNQCLSA-N 1 0 386.477 2.865 50 0 GFAARO CSCC(=O)N1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)[C@@H](CO)C1 ZINC000097660673 208358623 /nfs/dbraw/zinc/35/86/23/208358623.db2.gz JJRXJLSVJDOGIR-QGZVFWFLSA-N 1 0 380.529 2.612 50 0 GFAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCCCCC3)CC2=O)cc1 ZINC000004111096 220682724 /nfs/dbraw/zinc/68/27/24/220682724.db2.gz YLJWHXGEWUBXTG-OAQYLSRUSA-N 1 0 385.552 2.768 50 0 GFAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N(C)Cc2cc(-c3ccncc3)no2)n1 ZINC000244718862 209024334 /nfs/dbraw/zinc/02/43/34/209024334.db2.gz LSIGHEBUPQEXKS-GASCZTMLSA-N 1 0 380.452 2.514 50 0 GFAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)nc2ccccc21 ZINC000248163546 209028338 /nfs/dbraw/zinc/02/83/38/209028338.db2.gz YUNRJXBKEGPSOT-SFHVURJKSA-N 1 0 383.540 2.603 50 0 GFAARO C[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3Oc3cccnc3)C2)CC1 ZINC000299781264 209087891 /nfs/dbraw/zinc/08/78/91/209087891.db2.gz DIQZKEHQKAZVTC-KRWDZBQOSA-N 1 0 381.480 2.728 50 0 GFAARO COc1ccc(CCN(Cc2ccncc2)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000426546303 533478674 /nfs/dbraw/zinc/47/86/74/533478674.db2.gz YVFYGZAXVWXVKZ-FQEVSTJZSA-N 1 0 382.508 2.796 50 0 GFAARO c1ccc2c(c1)nc(-c1ccncc1)nc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000040040263 132392685 /nfs/dbraw/zinc/39/26/85/132392685.db2.gz VQTLPVMXVGFPTM-GOSISDBHSA-N 1 0 375.476 2.993 50 0 GFAARO Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800118 136157652 /nfs/dbraw/zinc/15/76/52/136157652.db2.gz GEVVVKUIUPTHEI-UHFFFAOYSA-N 1 0 384.459 2.878 50 0 GFAARO CCOC(=O)N1CCC([NH+]2CCN(c3cc(C(C)C)nc(C)n3)CC2)CC1 ZINC000065526971 136164217 /nfs/dbraw/zinc/16/42/17/136164217.db2.gz VNTUBKBERPTSLK-UHFFFAOYSA-N 1 0 375.517 2.651 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4sccc43)CC2)C1 ZINC000071721379 136165787 /nfs/dbraw/zinc/16/57/87/136165787.db2.gz JWYAYLKUERHQLW-CQSZACIVSA-N 1 0 385.537 2.651 50 0 GFAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[NH2+][C@H](c4ccccc4)C3)c12 ZINC000072448019 136170720 /nfs/dbraw/zinc/17/07/20/136170720.db2.gz WLRGPCWFTLFZJV-SFHVURJKSA-N 1 0 385.475 2.885 50 0 GFAARO COc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000072441268 136170907 /nfs/dbraw/zinc/17/09/07/136170907.db2.gz HTKVWTYHWNEPRK-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc(N(C)C)[nH+]1 ZINC000095500780 136179891 /nfs/dbraw/zinc/17/98/91/136179891.db2.gz BXHGALUIEQPRSL-UHFFFAOYSA-N 1 0 377.496 2.875 50 0 GFAARO Cc1cccc2cc(CO)c(N3CCC([C@@H](C)[NH+]4CCN(C)CC4)CC3)nc12 ZINC000096137543 136184205 /nfs/dbraw/zinc/18/42/05/136184205.db2.gz MPSQOOUGSGMHOG-GOSISDBHSA-N 1 0 382.552 2.888 50 0 GFAARO O=C(CCc1ccccc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697952 136199826 /nfs/dbraw/zinc/19/98/26/136199826.db2.gz SHDBYESEGYTYDR-UHFFFAOYSA-N 1 0 388.475 2.897 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000023197900 221587382 /nfs/dbraw/zinc/58/73/82/221587382.db2.gz WDWHUUYBJMULOK-TZIWHRDSSA-N 1 0 380.488 2.837 50 0 GFAARO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000072309465 222223409 /nfs/dbraw/zinc/22/34/09/222223409.db2.gz GMCKXMPOAKRABF-ZWKOTPCHSA-N 1 0 384.524 2.995 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC[N@@H+](C)CC3)csc2C1 ZINC000426712644 534360655 /nfs/dbraw/zinc/36/06/55/534360655.db2.gz MPQWLJFDVNHEFV-UHFFFAOYSA-N 1 0 388.537 2.689 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@H]3CC[N@@H+](C)C3)csc2C1 ZINC000426496672 534360753 /nfs/dbraw/zinc/36/07/53/534360753.db2.gz KQHKPVURBMBMJG-OAHLLOKOSA-N 1 0 388.537 2.593 50 0 GFAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000012612446 519729196 /nfs/dbraw/zinc/72/91/96/519729196.db2.gz XGVZLSLEOGAXKM-QFIPXVFZSA-N 1 0 393.531 2.781 50 0 GFAARO CCCc1cnc(C)nc1-c1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2OCC)cc1 ZINC000426615472 528648688 /nfs/dbraw/zinc/64/86/88/528648688.db2.gz MBEHOECVNPWCFF-PMACEKPBSA-N 1 0 382.508 2.853 50 0 GFAARO CC(C)[C@H](NC(=O)CN1[C@H](C)C[NH+](C)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000241816006 529084166 /nfs/dbraw/zinc/08/41/66/529084166.db2.gz SEVCPFYAKYBLMP-YVHKJVDXSA-N 1 0 389.540 2.686 50 0 GFAARO CCNc1cc(N2CCN(C(=O)Nc3ccc(OCC)cc3)CC2)nc(C)[nH+]1 ZINC000065365553 535523164 /nfs/dbraw/zinc/52/31/64/535523164.db2.gz DQNJBZYYPTWOJB-UHFFFAOYSA-N 1 0 384.484 2.970 50 0 GFAARO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH2+]CC1 ZINC000019288089 551114361 /nfs/dbraw/zinc/11/43/61/551114361.db2.gz XVXPAKUWKWBDDA-HNNXBMFYSA-N 1 0 388.309 2.823 50 0 GFAARO CCn1cc(Br)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000028244265 551123725 /nfs/dbraw/zinc/12/37/25/551123725.db2.gz SLHMVBJHBYSAAV-UHFFFAOYSA-N 1 0 392.301 2.670 50 0 GFAARO CC[NH+]1CCC(NC(=O)c2ccc(F)cc2I)CC1 ZINC000033240815 551133452 /nfs/dbraw/zinc/13/34/52/551133452.db2.gz OEQDAXJEZBSJPD-UHFFFAOYSA-N 1 0 376.213 2.644 50 0 GFAARO O=S(=O)(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(F)c(Cl)c1 ZINC000225573188 553059415 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570604513 /nfs/dbraw/zinc/60/45/13/570604513.db2.gz UKZGPLUFDJEYBD-HXUWFJFHSA-N 1 0 397.563 2.848 50 0 GFAARO COc1ccc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000225828930 570622775 /nfs/dbraw/zinc/62/27/75/570622775.db2.gz NURMGQSXMPDELK-KRWDZBQOSA-N 1 0 398.569 2.577 50 0 GFAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011053 570623265 /nfs/dbraw/zinc/62/32/65/570623265.db2.gz UEJAUKVAJUYODU-ZDUSSCGKSA-N 1 0 387.509 2.703 50 0 GFAARO O=C(NCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012387291 570651814 /nfs/dbraw/zinc/65/18/14/570651814.db2.gz RZVKHWLZMNUBAW-GOSISDBHSA-N 1 0 387.499 2.555 50 0 GFAARO Cc1nnc(SCC(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012431544 570659602 /nfs/dbraw/zinc/65/96/02/570659602.db2.gz UOTJKRCRNLULMI-INIZCTEOSA-N 1 0 388.562 2.687 50 0 GFAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCC([NH+]2CCCC2)CC1 ZINC000012440539 570663938 /nfs/dbraw/zinc/66/39/38/570663938.db2.gz YISFJXJZZOWFPJ-QHCPKHFHSA-N 1 0 391.600 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570700961 /nfs/dbraw/zinc/70/09/61/570700961.db2.gz PXVRDACEXRQYAX-CQSZACIVSA-N 1 0 386.452 2.536 50 0 GFAARO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000058053056 570708172 /nfs/dbraw/zinc/70/81/72/570708172.db2.gz LQIZWXPAQQDRAJ-WMLDXEAASA-N 1 0 385.468 2.968 50 0 GFAARO Cn1cc(C(=O)NC2CC[NH+](CCOc3cccc4ccccc43)CC2)cn1 ZINC000058172154 570715255 /nfs/dbraw/zinc/71/52/55/570715255.db2.gz JOQRZLWQUBPXHU-UHFFFAOYSA-N 1 0 378.476 2.847 50 0 GFAARO COc1cc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000058179459 570716902 /nfs/dbraw/zinc/71/69/02/570716902.db2.gz PQNLAFQHALSLCT-GASCZTMLSA-N 1 0 379.501 2.577 50 0 GFAARO C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000058330982 570727902 /nfs/dbraw/zinc/72/79/02/570727902.db2.gz XOJZTQDRCZLVLE-SJORKVTESA-N 1 0 377.554 2.837 50 0 GFAARO CN1CCc2c1nc1ccccc1c2NC(=O)C[NH2+]CCc1ccc(O)cc1 ZINC000003143996 570730020 /nfs/dbraw/zinc/73/00/20/570730020.db2.gz MFLDJOWIRNYTMZ-UHFFFAOYSA-N 1 0 376.460 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CCC[NH+]1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000065521619 570829883 /nfs/dbraw/zinc/82/98/83/570829883.db2.gz KBMYSUHOWCDULS-UHFFFAOYSA-N 1 0 397.313 2.753 50 0 GFAARO COc1cccc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)c1 ZINC000071404140 570833042 /nfs/dbraw/zinc/83/30/42/570833042.db2.gz PSQXZDMISGRKAA-UHFFFAOYSA-N 1 0 378.476 2.617 50 0 GFAARO COc1cc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc(OC)c1OC ZINC000004700068 570844067 /nfs/dbraw/zinc/84/40/67/570844067.db2.gz NQXQOGAQXBMBAA-UHFFFAOYSA-N 1 0 376.497 2.983 50 0 GFAARO O=C(NC1CCOCC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071748375 570845569 /nfs/dbraw/zinc/84/55/69/570845569.db2.gz GHPWFJHPUWWDBS-NRFANRHFSA-N 1 0 399.579 2.701 50 0 GFAARO COc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071747752 570845577 /nfs/dbraw/zinc/84/55/77/570845577.db2.gz LZSWUSJOMWFIJN-IBGZPJMESA-N 1 0 386.471 2.883 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 ZINC000051138035 570849716 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2.637 50 0 GFAARO CCC(CC)CN1CC2(CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)OC1=O ZINC000077406049 208041117 /nfs/dbraw/zinc/04/11/17/208041117.db2.gz FTTRCVZOQKEKLZ-KRWDZBQOSA-N 1 0 377.529 2.626 50 0 GFAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)C3=Cc4ccccc4OC=C3)cc2C1 ZINC000082096445 208081252 /nfs/dbraw/zinc/08/12/52/208081252.db2.gz LHJFBSLCSIMQEK-UHFFFAOYSA-N 1 0 378.476 2.961 50 0 GFAARO Cc1cnn([C@H](C)C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1 ZINC000082126153 208083658 /nfs/dbraw/zinc/08/36/58/208083658.db2.gz YXLJOUKWSAATCQ-QGZVFWFLSA-N 1 0 384.528 2.804 50 0 GFAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(C(=O)c3ccncc3)CC1)C2 ZINC000091547353 208122536 /nfs/dbraw/zinc/12/25/36/208122536.db2.gz UGBXPHRWSHWKBS-MRXNPFEDSA-N 1 0 381.476 2.536 50 0 GFAARO COc1ccccc1CN1C[C@@H](c2nc(CC3CC[NH+](C)CC3)no2)CCC1=O ZINC000091586623 208126397 /nfs/dbraw/zinc/12/63/97/208126397.db2.gz GVPCZBHFJOPHOE-SFHVURJKSA-N 1 0 398.507 2.869 50 0 GFAARO CN(CC(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000091625844 208130242 /nfs/dbraw/zinc/13/02/42/208130242.db2.gz LONOSHCAJGOPPQ-UHFFFAOYSA-N 1 0 381.524 2.784 50 0 GFAARO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000091781326 208138580 /nfs/dbraw/zinc/13/85/80/208138580.db2.gz OYRJEQZDVPKQRG-UHFFFAOYSA-N 1 0 375.476 2.854 50 0 GFAARO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cc1Cl ZINC000091256002 208113298 /nfs/dbraw/zinc/11/32/98/208113298.db2.gz LQBOWJVGOLXHDP-UHFFFAOYSA-N 1 0 380.916 2.936 50 0 GFAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)OCO4)C2)CN1CCc1c[nH]cn1 ZINC000091435223 208116245 /nfs/dbraw/zinc/11/62/45/208116245.db2.gz FQFPKBKIJNEJPN-QFIPXVFZSA-N 1 0 396.491 2.586 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cnn2ccccc12 ZINC000091475152 208118910 /nfs/dbraw/zinc/11/89/10/208118910.db2.gz AEMUJCRIUBZMAH-UHFFFAOYSA-N 1 0 378.480 2.609 50 0 GFAARO COc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1 ZINC000091504055 208120172 /nfs/dbraw/zinc/12/01/72/208120172.db2.gz QVKCEWOCRTXWFG-UHFFFAOYSA-N 1 0 380.492 2.704 50 0 GFAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091468776 208120792 /nfs/dbraw/zinc/12/07/92/208120792.db2.gz YKYVAQJUJFWELP-JOCHJYFZSA-N 1 0 379.508 2.893 50 0 GFAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](Cc1nnc(-c3cccnc3)o1)C2 ZINC000091859894 208140655 /nfs/dbraw/zinc/14/06/55/208140655.db2.gz MONKRQRIRFZLPP-OAQYLSRUSA-N 1 0 381.480 2.746 50 0 GFAARO O=C(C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2)NC1CC1 ZINC000092001657 208147060 /nfs/dbraw/zinc/14/70/60/208147060.db2.gz SOAZVBHERUCYKH-HXUWFJFHSA-N 1 0 381.520 2.526 50 0 GFAARO CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000095352519 208157070 /nfs/dbraw/zinc/15/70/70/208157070.db2.gz NAXGZBPSZILLIR-JOCHJYFZSA-N 1 0 395.547 2.883 50 0 GFAARO CN(CCO)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095507024 208207841 /nfs/dbraw/zinc/20/78/41/208207841.db2.gz JKFUSJVTECAADY-UHFFFAOYSA-N 1 0 382.504 2.837 50 0 GFAARO CCOC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095499281 208201997 /nfs/dbraw/zinc/20/19/97/208201997.db2.gz GMIXMEJNSLZMJX-UHFFFAOYSA-N 1 0 397.903 2.631 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnccn1 ZINC000095502501 208204752 /nfs/dbraw/zinc/20/47/52/208204752.db2.gz YCBKDCWQOVUFEG-LJQANCHMSA-N 1 0 382.508 2.902 50 0 GFAARO COCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095508673 208211799 /nfs/dbraw/zinc/21/17/99/208211799.db2.gz KJJZXTYVXMVRLO-QFIPXVFZSA-N 1 0 386.536 2.520 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000095511339 208213503 /nfs/dbraw/zinc/21/35/03/208213503.db2.gz HBYVTJDXOIBUMT-HNNXBMFYSA-N 1 0 386.525 2.564 50 0 GFAARO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095524653 208222801 /nfs/dbraw/zinc/22/28/01/208222801.db2.gz UPTGSHYLGFJQOU-DOTOQJQBSA-N 1 0 381.505 2.722 50 0 GFAARO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000095528547 208226572 /nfs/dbraw/zinc/22/65/72/208226572.db2.gz OEIYBYHZQYRVAI-SFHVURJKSA-N 1 0 385.483 2.849 50 0 GFAARO COc1ccc(C(=O)N(C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c(OC)n1 ZINC000095527846 208226793 /nfs/dbraw/zinc/22/67/93/208226793.db2.gz IZEMLABDDJMVCY-UHFFFAOYSA-N 1 0 387.480 2.984 50 0 GFAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)Cn3nc4ccccc4n3)CC2)o1 ZINC000095529955 208229352 /nfs/dbraw/zinc/22/93/52/208229352.db2.gz NKMBPSNJHHNKRH-UHFFFAOYSA-N 1 0 381.480 2.703 50 0 GFAARO CN(C)c1ccccc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095530902 208229453 /nfs/dbraw/zinc/22/94/53/208229453.db2.gz UDGDXVXIBIQJQJ-SFHVURJKSA-N 1 0 383.540 2.921 50 0 GFAARO C[NH+]1CCC(Cc2nc(CCc3cnccn3)n(Cc3ccccc3)n2)CC1 ZINC000096148166 208273037 /nfs/dbraw/zinc/27/30/37/208273037.db2.gz BKNWGJVRQVRYIG-UHFFFAOYSA-N 1 0 376.508 2.786 50 0 GFAARO Cc1cccc(C[NH+]2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)n1 ZINC000096151354 208275377 /nfs/dbraw/zinc/27/53/77/208275377.db2.gz AFPHMTPYQZULJY-UHFFFAOYSA-N 1 0 377.496 2.941 50 0 GFAARO O=C(CCCc1nnc2ccccn21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096117822 208263165 /nfs/dbraw/zinc/26/31/65/208263165.db2.gz DEJOVKDYQNMPRY-UHFFFAOYSA-N 1 0 395.482 2.972 50 0 GFAARO COc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1OCc1c(C)noc1C ZINC000097162402 208340906 /nfs/dbraw/zinc/34/09/06/208340906.db2.gz QGNYYZJTVXNOTM-GOSISDBHSA-N 1 0 375.469 2.869 50 0 GFAARO Cc1cccc([C@H](CNC(=O)CCn2c(CO)nc3ccccc32)[NH+](C)C)c1 ZINC000097776149 208362317 /nfs/dbraw/zinc/36/23/17/208362317.db2.gz PVHPWDGLXLDIDN-FQEVSTJZSA-N 1 0 380.492 2.646 50 0 GFAARO CCN1C(=O)C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000100633156 208377802 /nfs/dbraw/zinc/37/78/02/208377802.db2.gz XYFQLQZHLUZOJJ-HXUWFJFHSA-N 1 0 377.488 2.541 50 0 GFAARO COc1ccc([C@H](NC(=O)CCC[NH+]2CCCCCC2)C2CC(O)C2)cn1 ZINC000219940430 208857256 /nfs/dbraw/zinc/85/72/56/208857256.db2.gz NGJXNIABVLIJPJ-NGICGMGXSA-N 1 0 375.513 2.675 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccccc3-c3ncc[nH]3)cc2C1 ZINC000299801488 209092250 /nfs/dbraw/zinc/09/22/50/209092250.db2.gz ZJAHUVOOKGAQKJ-UHFFFAOYSA-N 1 0 378.480 2.819 50 0 GFAARO Cc1nonc1CNCc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O ZINC000299785750 209088917 /nfs/dbraw/zinc/08/89/17/209088917.db2.gz NTEHZYSBYBAESS-UHFFFAOYSA-N 1 0 399.470 2.608 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(c(Br)c2)OCO3)N1 ZINC000007127109 220986910 /nfs/dbraw/zinc/98/69/10/220986910.db2.gz QDSAKIMVDQPAEM-AWEZNQCLSA-N 1 0 386.209 2.624 50 0 GFAARO O=C(CNC(=O)c1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007990338 221023008 /nfs/dbraw/zinc/02/30/08/221023008.db2.gz GJJHBXYGHDLXCK-UHFFFAOYSA-N 1 0 385.895 2.851 50 0 GFAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC[NH+]4CCCC4)n3)cc2)CC1 ZINC000064746432 136157613 /nfs/dbraw/zinc/15/76/13/136157613.db2.gz QXLDDBNKFDFHIQ-UHFFFAOYSA-N 1 0 383.496 2.799 50 0 GFAARO CCCN(CCC)C(=O)c1cc(NC(=O)CC(C)C)cnc1N1CC[NH2+]CC1 ZINC000065025387 136158809 /nfs/dbraw/zinc/15/88/09/136158809.db2.gz GOQPYXGHSRBOMG-UHFFFAOYSA-N 1 0 389.544 2.738 50 0 GFAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216153 136160252 /nfs/dbraw/zinc/16/02/52/136160252.db2.gz MQEMEQYAVVTYEJ-UHFFFAOYSA-N 1 0 384.528 2.894 50 0 GFAARO CNc1cc(C)[nH+]c(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)n1 ZINC000091595570 136176760 /nfs/dbraw/zinc/17/67/60/136176760.db2.gz RLVHFMMOSGFHGQ-NRFANRHFSA-N 1 0 380.496 2.631 50 0 GFAARO Cc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000091964476 136177349 /nfs/dbraw/zinc/17/73/49/136177349.db2.gz FFEWBQFYQOKUEJ-UHFFFAOYSA-N 1 0 379.508 2.819 50 0 GFAARO Cc1noc(-c2ccc(N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)nc2)n1 ZINC000095512638 136180675 /nfs/dbraw/zinc/18/06/75/136180675.db2.gz PNLSTKZGDCOMQR-QGZVFWFLSA-N 1 0 381.484 2.582 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095512609 136180770 /nfs/dbraw/zinc/18/07/70/136180770.db2.gz HSYQQMUAWVBRSF-GOSISDBHSA-N 1 0 383.544 2.609 50 0 GFAARO Cc1cc(N2CCC([NH2+][C@H](C)c3ncnn3C)CC2)nc(-c2ccccc2)n1 ZINC000096153773 136184658 /nfs/dbraw/zinc/18/46/58/136184658.db2.gz ZDMSSUYNJGJSNR-MRXNPFEDSA-N 1 0 377.496 2.900 50 0 GFAARO Cc1cc(N2CCC([NH2+]CCc3ccnn3C)CC2)nc(-c2ccccc2)n1 ZINC000096180365 136184939 /nfs/dbraw/zinc/18/49/39/136184939.db2.gz KYGNWXKQFVQUOP-UHFFFAOYSA-N 1 0 376.508 2.987 50 0 GFAARO c1ccc(Cn2nc(C[NH2+]CCCN3CCOCC3)c(-c3ccccc3)n2)cc1 ZINC000261491717 209080907 /nfs/dbraw/zinc/08/09/07/209080907.db2.gz FGGIUCGPZWZRCA-UHFFFAOYSA-N 1 0 391.519 2.805 50 0 GFAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000299754355 209083187 /nfs/dbraw/zinc/08/31/87/209083187.db2.gz CQEABHXMZGKDIQ-APWZRJJASA-N 1 0 382.508 2.991 50 0 GFAARO COc1cccc([C@H]2CCCCN2C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000426477343 533788957 /nfs/dbraw/zinc/78/89/57/533788957.db2.gz GSKYJPUXQRBPEF-HXUWFJFHSA-N 1 0 375.513 2.779 50 0 GFAARO C[NH+](C)C1(CNC(=O)CNC(=O)c2ccccc2Br)CCCCC1 ZINC000007990043 551102332 /nfs/dbraw/zinc/10/23/32/551102332.db2.gz DHNWQBINGWOJIF-UHFFFAOYSA-N 1 0 396.329 2.560 50 0 GFAARO CSc1nn(CCC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 ZINC000040288237 551134206 /nfs/dbraw/zinc/13/42/06/551134206.db2.gz DOXVVCWAEOYKBP-UHFFFAOYSA-N 1 0 377.539 2.658 50 0 GFAARO CCNc1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nc(C)[nH+]1 ZINC000067614314 551189997 /nfs/dbraw/zinc/18/99/97/551189997.db2.gz IWICMPLVKWNYOD-UHFFFAOYSA-N 1 0 394.273 2.535 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000237076700 553074234 /nfs/dbraw/zinc/07/42/34/553074234.db2.gz LVLMGDMUDUBHMA-SECBINFHSA-N 1 0 399.738 2.763 50 0 GFAARO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)sc1Cl ZINC000652383467 565927531 /nfs/dbraw/zinc/92/75/31/565927531.db2.gz VTNSEJPOGMDSES-JHJVBQTASA-N 1 0 378.947 2.759 50 0 GFAARO Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2c1C ZINC000023317892 570242202 /nfs/dbraw/zinc/24/22/02/570242202.db2.gz LSBLLYDMUHOVRT-UHFFFAOYSA-N 1 0 377.492 2.862 50 0 GFAARO CCc1ccc(-n2nnc(C(=O)NCC[NH+]3CCCC3)c2-c2ccncc2)cc1 ZINC000049003522 570261749 /nfs/dbraw/zinc/26/17/49/570261749.db2.gz VYSDSLPJQVQWDB-UHFFFAOYSA-N 1 0 390.491 2.717 50 0 GFAARO Cn1c(=S)n(CN2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccncc1 ZINC000084304513 570280751 /nfs/dbraw/zinc/28/07/51/570280751.db2.gz KRNXMUIJNVJLHC-UHFFFAOYSA-N 1 0 380.521 2.788 50 0 GFAARO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012912470 570291476 /nfs/dbraw/zinc/29/14/76/570291476.db2.gz UDPPOIHETTVBPD-OAHLLOKOSA-N 1 0 399.466 2.887 50 0 GFAARO Cc1n[nH]c(C)c1NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022805023 570329281 /nfs/dbraw/zinc/32/92/81/570329281.db2.gz JEFKGKZEOGPODR-UHFFFAOYSA-N 1 0 377.492 2.936 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000237215095 570339099 /nfs/dbraw/zinc/33/90/99/570339099.db2.gz SVQLGWAOYQQZBA-HNNXBMFYSA-N 1 0 398.956 2.885 50 0 GFAARO C[NH+]1CCC(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000034911665 570341161 /nfs/dbraw/zinc/34/11/61/570341161.db2.gz GBSTTZJWZYADKW-UHFFFAOYSA-N 1 0 389.503 2.877 50 0 GFAARO O=C(NCc1cn(-c2ccncc2)nn1)c1ccc(Oc2nccs2)cc1 ZINC000390832258 570371821 /nfs/dbraw/zinc/37/18/21/570371821.db2.gz YGDVOIKAMPMVFW-UHFFFAOYSA-N 1 0 378.417 2.841 50 0 GFAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1cccs1 ZINC000004488462 570378347 /nfs/dbraw/zinc/37/83/47/570378347.db2.gz WLUMVKRIUCHFMO-UHFFFAOYSA-N 1 0 391.522 2.741 50 0 GFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCn1cccn1 ZINC000583647615 570382247 /nfs/dbraw/zinc/38/22/47/570382247.db2.gz SMIVRFQMPQEAJZ-UXHICEINSA-N 1 0 376.545 2.793 50 0 GFAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000012995626 570410547 /nfs/dbraw/zinc/41/05/47/570410547.db2.gz GBIMILIITBQWIG-GOSISDBHSA-N 1 0 395.532 2.961 50 0 GFAARO Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000247964469 570432460 /nfs/dbraw/zinc/43/24/60/570432460.db2.gz PVISSQJNJCAWGS-LMMKCTJWSA-N 1 0 396.535 2.959 50 0 GFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)nn2)CC1 ZINC000243932290 570433265 /nfs/dbraw/zinc/43/32/65/570433265.db2.gz BUIOIEHVWORKDM-QKLQHJQFSA-N 1 0 376.464 2.635 50 0 GFAARO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2cc(C)nc(N(C)C)n2)C1 ZINC000252478670 570474102 /nfs/dbraw/zinc/47/41/02/570474102.db2.gz ARVPFJDTDHEAKF-HNNXBMFYSA-N 1 0 375.904 2.882 50 0 GFAARO O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)C1([NH+]2CCCC2)CCCC1 ZINC000223882006 570488286 /nfs/dbraw/zinc/48/82/86/570488286.db2.gz HKSCTZRAQQNIJU-RTBURBONSA-N 1 0 376.472 2.887 50 0 GFAARO Cc1cccc2c(=O)n(CCC(=O)N3CCN(Cc4cccs4)CC3)cnc12 ZINC000022692067 570526020 /nfs/dbraw/zinc/52/60/20/570526020.db2.gz MRGBSUDXLQCURY-UHFFFAOYSA-N 1 0 396.516 2.501 50 0 GFAARO COc1cc(COC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000002686944 570535860 /nfs/dbraw/zinc/53/58/60/570535860.db2.gz HBVSYOPPYRXUFP-LJQANCHMSA-N 1 0 387.476 2.648 50 0 GFAARO CC(=O)Nc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000036385632 570564616 /nfs/dbraw/zinc/56/46/16/570564616.db2.gz DTEXRXDZTXQYBR-HSZRJFAPSA-N 1 0 381.520 2.756 50 0 GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000269271656 570575145 /nfs/dbraw/zinc/57/51/45/570575145.db2.gz MOYFLEUMNBMJNY-CHWSQXEVSA-N 1 0 377.286 2.834 50 0 GFAARO COc1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n[nH]2)c(Cl)c1 ZINC000011818922 570585540 /nfs/dbraw/zinc/58/55/40/570585540.db2.gz BSAKPSDJLYDRBI-CQSZACIVSA-N 1 0 390.871 2.571 50 0 GFAARO Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000012092987 570608276 /nfs/dbraw/zinc/60/82/76/570608276.db2.gz PLPQVVRRDAWKLN-GOSISDBHSA-N 1 0 396.535 2.755 50 0 GFAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)s1 ZINC000033011028 570622582 /nfs/dbraw/zinc/62/25/82/570622582.db2.gz PXJZMCXJRBKJOZ-UHFFFAOYSA-N 1 0 387.509 2.705 50 0 GFAARO O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000012197217 570623422 /nfs/dbraw/zinc/62/34/22/570623422.db2.gz MYWZSCNNQWVBNU-UHFFFAOYSA-N 1 0 385.487 2.804 50 0 GFAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000012199009 570624009 /nfs/dbraw/zinc/62/40/09/570624009.db2.gz SICZXBHLQDTSLE-HXUWFJFHSA-N 1 0 383.536 2.806 50 0 GFAARO COc1ccc(C(=O)N(C)[C@H]2CCOC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012314343 570640627 /nfs/dbraw/zinc/64/06/27/570640627.db2.gz BQHNVCSYDSDMSD-KRWDZBQOSA-N 1 0 376.497 2.808 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000033026961 570662444 /nfs/dbraw/zinc/66/24/44/570662444.db2.gz CGRCIAPRSOWLAE-UHFFFAOYSA-N 1 0 390.487 2.950 50 0 GFAARO COC[C@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012443448 570665475 /nfs/dbraw/zinc/66/54/75/570665475.db2.gz BWLPJUVMKXRUMZ-KRWDZBQOSA-N 1 0 383.492 2.890 50 0 GFAARO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](c2ccccc2C)[N@@H+]1C ZINC000055036748 570679611 /nfs/dbraw/zinc/67/96/11/570679611.db2.gz CKLRINSSXSPAPW-IPJJNNNSSA-N 1 0 399.491 2.875 50 0 GFAARO CN(C(=O)CCC1=NNC(=O)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012576054 570682249 /nfs/dbraw/zinc/68/22/49/570682249.db2.gz KZWWPZLLPZJZED-FQEVSTJZSA-N 1 0 384.524 2.588 50 0 GFAARO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1)c1ccc(F)cc1 ZINC000012592771 570688208 /nfs/dbraw/zinc/68/82/08/570688208.db2.gz YCKNYKIZUQJVON-GOSISDBHSA-N 1 0 386.467 2.839 50 0 GFAARO CCC(=O)Nc1ccc(OCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCC2)cc1 ZINC000055387327 570693958 /nfs/dbraw/zinc/69/39/58/570693958.db2.gz YOMJFZYCAFJZPB-FQEVSTJZSA-N 1 0 396.491 2.762 50 0 GFAARO O=C1NC2(CC[NH+](Cc3ccc(F)cc3)CC2)C(=O)N1CCOc1ccccc1 ZINC000017190883 570701464 /nfs/dbraw/zinc/70/14/64/570701464.db2.gz MFMFETUXKXTFBM-UHFFFAOYSA-N 1 0 397.450 2.791 50 0 GFAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000012709531 570701523 /nfs/dbraw/zinc/70/15/23/570701523.db2.gz UTLPXJLHSZMJCO-UHFFFAOYSA-N 1 0 397.523 2.581 50 0 GFAARO Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)cc(=O)[nH]1 ZINC000058105606 570709391 /nfs/dbraw/zinc/70/93/91/570709391.db2.gz AZAWOMVDRZDCJG-GOSISDBHSA-N 1 0 381.480 2.837 50 0 GFAARO Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)cc(=O)[nH]1 ZINC000058105599 570709417 /nfs/dbraw/zinc/70/94/17/570709417.db2.gz AZAWOMVDRZDCJG-SFHVURJKSA-N 1 0 381.480 2.837 50 0 GFAARO O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180304546 570718609 /nfs/dbraw/zinc/71/86/09/570718609.db2.gz SOMLOAHCYRLVBA-KRWDZBQOSA-N 1 0 393.553 2.959 50 0 GFAARO COc1ccc(C[N@H+](CC(=O)N2CCOCC2)C2CCCCC2)c(OC)c1 ZINC000252509058 570729306 /nfs/dbraw/zinc/72/93/06/570729306.db2.gz YBTWUWPCXGMFPS-UHFFFAOYSA-N 1 0 376.497 2.697 50 0 GFAARO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000058407647 570731882 /nfs/dbraw/zinc/73/18/82/570731882.db2.gz VIVJEBCREQPPIC-GOEBONIOSA-N 1 0 395.345 2.669 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562335 570782066 /nfs/dbraw/zinc/78/20/66/570782066.db2.gz MIUBQDRLUSYFQE-IBGZPJMESA-N 1 0 391.531 2.573 50 0 GFAARO COc1cccc(CNCCC[NH2+]CCO)c1OCc1ccccc1Cl ZINC000013732809 570783789 /nfs/dbraw/zinc/78/37/89/570783789.db2.gz OHFAXNQJVKCJHU-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO COc1ccc2[nH]c(CCN(C)c3nc(CC[NH3+])nc4ccccc43)nc2c1 ZINC000067725894 570788546 /nfs/dbraw/zinc/78/85/46/570788546.db2.gz BXWNTJHFFFNMJH-UHFFFAOYSA-N 1 0 376.464 2.695 50 0 GFAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000007118818 570792539 /nfs/dbraw/zinc/79/25/39/570792539.db2.gz XDDALCXJKJONFC-UHFFFAOYSA-N 1 0 376.460 2.839 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000182505943 570793162 /nfs/dbraw/zinc/79/31/62/570793162.db2.gz OTNNMAWGLNEZNW-FQEVSTJZSA-N 1 0 381.476 2.644 50 0 GFAARO Cc1nn(C)cc1C[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067872809 570795671 /nfs/dbraw/zinc/79/56/71/570795671.db2.gz IKPPFPGELDFUCT-QHCPKHFHSA-N 1 0 398.551 2.837 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000032763585 570800736 /nfs/dbraw/zinc/80/07/36/570800736.db2.gz AREDRZPJBZJMNT-IBGZPJMESA-N 1 0 387.549 2.749 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc2[nH]c3ccccc3n21)c1ccccc1 ZINC000005893507 570801274 /nfs/dbraw/zinc/80/12/74/570801274.db2.gz RTYDLVPMTVYVKR-QGZVFWFLSA-N 1 0 394.504 2.722 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2C)CC1 ZINC000012528292 570833119 /nfs/dbraw/zinc/83/31/19/570833119.db2.gz DECOEHHBNIAUGI-OAQYLSRUSA-N 1 0 381.476 2.915 50 0 GFAARO C[C@H]1CN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000071440551 570835349 /nfs/dbraw/zinc/83/53/49/570835349.db2.gz VSKYVHVYBJDLOZ-SFHVURJKSA-N 1 0 391.519 2.742 50 0 GFAARO C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000043940934 570842013 /nfs/dbraw/zinc/84/20/13/570842013.db2.gz FMAMBWUXGXAPFY-INIZCTEOSA-N 1 0 385.533 2.954 50 0 GFAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071711972 570843322 /nfs/dbraw/zinc/84/33/22/570843322.db2.gz LEJBYDGIGJKMMI-FQEVSTJZSA-N 1 0 385.552 2.994 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)Cn2ccccc2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071715142 570843765 /nfs/dbraw/zinc/84/37/65/570843765.db2.gz IRYKDPCRXXRFAX-FQEVSTJZSA-N 1 0 385.483 2.747 50 0 GFAARO O=S(=O)(NCc1ccccc1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071746857 570844963 /nfs/dbraw/zinc/84/49/63/570844963.db2.gz RLTMTBOFPQASIK-LJQANCHMSA-N 1 0 377.485 2.587 50 0 GFAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000071746464 570845146 /nfs/dbraw/zinc/84/51/46/570845146.db2.gz PINRPRFYOVYWTH-QGZVFWFLSA-N 1 0 399.564 2.531 50 0 GFAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)o1 ZINC000071748076 570845664 /nfs/dbraw/zinc/84/56/64/570845664.db2.gz VUVVFMYEFPHXDI-GOSISDBHSA-N 1 0 387.524 2.659 50 0 GFAARO Cc1cc(C)n(CCCN(C)c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000071763676 570850767 /nfs/dbraw/zinc/85/07/67/570850767.db2.gz WNAZBFDMMXVBOA-UHFFFAOYSA-N 1 0 377.496 2.524 50 0 GFAARO CC(C)[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071765143 570851451 /nfs/dbraw/zinc/85/14/51/570851451.db2.gz UHLNPFWCEKCEPC-HXUWFJFHSA-N 1 0 389.515 2.897 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)NC(C)(C)C[NH+](C)C)(Cc2ccccc2)C1=O ZINC000071767929 570851984 /nfs/dbraw/zinc/85/19/84/570851984.db2.gz NXYVMRHTYOVMSF-DEOSSOPVSA-N 1 0 393.531 2.990 50 0 GFAARO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000170598146 570856593 /nfs/dbraw/zinc/85/65/93/570856593.db2.gz DYMTVDDMQGFERS-UHFFFAOYSA-N 1 0 388.491 2.549 50 0 GFAARO COc1cccc(C(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c1OC ZINC000072119318 570866562 /nfs/dbraw/zinc/86/65/62/570866562.db2.gz VDMSZYSZTABNOU-UHFFFAOYSA-N 1 0 399.495 2.634 50 0 GFAARO O=C(c1ccccn1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072131799 570868651 /nfs/dbraw/zinc/86/86/51/570868651.db2.gz XADGJFGXZVULIG-MAODMQOUSA-N 1 0 377.444 2.513 50 0 GFAARO O=C(CN1CCN(c2ccc(F)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051182414 570874761 /nfs/dbraw/zinc/87/47/61/570874761.db2.gz CXDONQBZRIOKBC-LJQANCHMSA-N 1 0 396.510 2.590 50 0 GFAARO Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000072161765 570875928 /nfs/dbraw/zinc/87/59/28/570875928.db2.gz DLUYPLOLIDDLAG-IBGZPJMESA-N 1 0 384.524 2.533 50 0 GFAARO COc1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072163979 570876268 /nfs/dbraw/zinc/87/62/68/570876268.db2.gz AIZKIXAKQZOMNJ-JOCHJYFZSA-N 1 0 381.476 2.719 50 0 GFAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000004725552 570878006 /nfs/dbraw/zinc/87/80/06/570878006.db2.gz MXNKKLZJXGRTSN-UHFFFAOYSA-N 1 0 376.472 2.839 50 0 GFAARO CO[C@]12CC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534575985 570901336 /nfs/dbraw/zinc/90/13/36/570901336.db2.gz BZUZAQBCRJGYES-XWRIVVANSA-N 1 0 387.455 2.728 50 0 GFAARO Cn1nc(-c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)ccc1=O ZINC000534592717 570907014 /nfs/dbraw/zinc/90/70/14/570907014.db2.gz NGAHQSKCAOOJOA-KRWDZBQOSA-N 1 0 382.489 2.542 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000004034842 570923067 /nfs/dbraw/zinc/92/30/67/570923067.db2.gz NUYPOACQZPSOOZ-AWEZNQCLSA-N 1 0 393.940 2.885 50 0 GFAARO CCn1ncc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)cc2)c1C ZINC000534675312 570923193 /nfs/dbraw/zinc/92/31/93/570923193.db2.gz SWRWGNSTKJSGRF-HXUWFJFHSA-N 1 0 384.524 2.845 50 0 GFAARO CCCN(CCC)S(=O)(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000046796337 570934662 /nfs/dbraw/zinc/93/46/62/570934662.db2.gz VBFMFMUXOKGKOM-IBGZPJMESA-N 1 0 383.558 2.789 50 0 GFAARO Cc1cc(=O)c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC000237500696 570943942 /nfs/dbraw/zinc/94/39/42/570943942.db2.gz LPEAIBIQBNMDBX-RISCZKNCSA-N 1 0 394.397 2.512 50 0 GFAARO CC(C)(CO)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000044891357 570980752 /nfs/dbraw/zinc/98/07/52/570980752.db2.gz YTKTYOJDMBGLKS-MRXNPFEDSA-N 1 0 375.856 2.971 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000007724441 571022568 /nfs/dbraw/zinc/02/25/68/571022568.db2.gz PPLHAKGCZGIQHG-GOSISDBHSA-N 1 0 390.487 2.659 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@H]2[NH+](C)C)cc1 ZINC000095523373 571088723 /nfs/dbraw/zinc/08/87/23/571088723.db2.gz QGZAZBBQCHNGBM-DLBZAZTESA-N 1 0 377.872 2.825 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070173471 654992442 /nfs/dbraw/zinc/99/24/42/654992442.db2.gz RUAQCFIYLGHWAB-VHSXEESVSA-N 1 0 381.723 2.850 50 0 GFAARO NC(=O)c1cncc(N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426571674 231242394 /nfs/dbraw/zinc/24/23/94/231242394.db2.gz VJLUCVGTBBBESJ-JOCHJYFZSA-N 1 0 379.508 2.501 50 0 GFAARO Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000426634075 231248335 /nfs/dbraw/zinc/24/83/35/231248335.db2.gz AGFFPJPIXWJABL-SFHVURJKSA-N 1 0 382.508 2.878 50 0 GFAARO COc1ccccc1-c1cc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)on1 ZINC000426652135 231249030 /nfs/dbraw/zinc/24/90/30/231249030.db2.gz WSNCYWJEYAFKNL-UHFFFAOYSA-N 1 0 399.491 2.857 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2cccnc2)CC1 ZINC000426722740 231255893 /nfs/dbraw/zinc/25/58/93/231255893.db2.gz YWPNPLAKPDGRPD-UHFFFAOYSA-N 1 0 379.508 2.578 50 0 GFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000328596431 206231698 /nfs/dbraw/zinc/23/16/98/206231698.db2.gz PIPGUORJQDZWLL-CXLRFSCWSA-N 1 0 393.260 2.594 50 0 GFAARO COc1ccccc1S(=O)(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000253404913 206282857 /nfs/dbraw/zinc/28/28/57/206282857.db2.gz RMKOBCCHHARDQZ-UHFFFAOYSA-N 1 0 375.494 2.594 50 0 GFAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(OC)c1O ZINC000000819295 206324716 /nfs/dbraw/zinc/32/47/16/206324716.db2.gz YXBZELARZWXZSH-HNNXBMFYSA-N 1 0 376.497 2.880 50 0 GFAARO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+](C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005307522 206605587 /nfs/dbraw/zinc/60/55/87/206605587.db2.gz QVCRERJKQUDJJG-HNNXBMFYSA-N 1 0 386.492 2.815 50 0 GFAARO CCC[NH+]1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012003654 206847556 /nfs/dbraw/zinc/84/75/56/206847556.db2.gz HSHYWXPJVNCWEY-OAQYLSRUSA-N 1 0 389.496 2.636 50 0 GFAARO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)Cc2ccco2)c1 ZINC000014085913 207009475 /nfs/dbraw/zinc/00/94/75/207009475.db2.gz FJJCKRCPVYBCPD-UHFFFAOYSA-N 1 0 399.900 2.644 50 0 GFAARO CC(C)OCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014531593 207021428 /nfs/dbraw/zinc/02/14/28/207021428.db2.gz VSTDNIXWEADEOI-GOSISDBHSA-N 1 0 384.524 2.564 50 0 GFAARO COc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000014753089 207028923 /nfs/dbraw/zinc/02/89/23/207028923.db2.gz IMLCOJHFKSEGTE-KRWDZBQOSA-N 1 0 384.524 2.897 50 0 GFAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CCOCC3)C2)c(OC)c1 ZINC000014953119 207032827 /nfs/dbraw/zinc/03/28/27/207032827.db2.gz MTCDSUDLTIGRNP-QGZVFWFLSA-N 1 0 390.524 2.991 50 0 GFAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000015068756 207045310 /nfs/dbraw/zinc/04/53/10/207045310.db2.gz JERLKUUAYPJEBK-LJQANCHMSA-N 1 0 396.539 2.506 50 0 GFAARO Cc1cc(N)n(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000015065166 207042613 /nfs/dbraw/zinc/04/26/13/207042613.db2.gz QUVXVEAQIAJSGU-HXUWFJFHSA-N 1 0 383.540 2.753 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671817 207054127 /nfs/dbraw/zinc/05/41/27/207054127.db2.gz NSGJSXQXYMTMMP-UHFFFAOYSA-N 1 0 388.541 2.535 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016025231 207069978 /nfs/dbraw/zinc/06/99/78/207069978.db2.gz FVKQFELKGIGCNI-MFCZKXCZSA-N 1 0 389.883 2.517 50 0 GFAARO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000015731048 207057780 /nfs/dbraw/zinc/05/77/80/207057780.db2.gz SDTRQZUGKQJWBN-UHFFFAOYSA-N 1 0 397.566 2.614 50 0 GFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016025015 207070586 /nfs/dbraw/zinc/07/05/86/207070586.db2.gz BKBWMJHSTIUDBM-CJXDPKRBSA-N 1 0 389.883 2.515 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000019228557 207110118 /nfs/dbraw/zinc/11/01/18/207110118.db2.gz NEJYZWOJSPXBTE-NRFANRHFSA-N 1 0 381.511 2.706 50 0 GFAARO COc1ccc2occ([C@H]3NC(=N)NC(Nc4ccc(F)cc4)=[NH+]3)c(=O)c2c1 ZINC000019330031 207115210 /nfs/dbraw/zinc/11/52/10/207115210.db2.gz GDMFXCWMPNLMSD-KRWDZBQOSA-N 1 0 381.367 2.535 50 0 GFAARO COc1ccc(C(=O)CCc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cc1 ZINC000019340580 207115958 /nfs/dbraw/zinc/11/59/58/207115958.db2.gz GKRHTUFFHCRKAY-UHFFFAOYSA-N 1 0 378.432 2.910 50 0 GFAARO COc1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000019361400 207117631 /nfs/dbraw/zinc/11/76/31/207117631.db2.gz YCALHNIHGSUWEB-UHFFFAOYSA-N 1 0 383.492 2.850 50 0 GFAARO OCCN1CC[NH+](CCn2c(-c3ccccc3)cn3c4ccccc4nc32)CC1 ZINC000019771488 207160697 /nfs/dbraw/zinc/16/06/97/207160697.db2.gz DJDIYZSFQJPEBZ-UHFFFAOYSA-N 1 0 389.503 2.566 50 0 GFAARO C[NH+](C)CCCN1CN=C2N[C@@H](c3cccs3)n3c4ccccc4nc3N2C1 ZINC000020102203 207177603 /nfs/dbraw/zinc/17/76/03/207177603.db2.gz HRENEARRCJVIRH-GOSISDBHSA-N 1 0 395.536 2.593 50 0 GFAARO Cc1ccc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cc1N1CCNC1=O ZINC000020209348 207184584 /nfs/dbraw/zinc/18/45/84/207184584.db2.gz VPRSQCGHKYDGOU-UHFFFAOYSA-N 1 0 390.447 2.591 50 0 GFAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccco4)nc3c12 ZINC000020622190 207207726 /nfs/dbraw/zinc/20/77/26/207207726.db2.gz MULYSWPZORGEQC-UHFFFAOYSA-N 1 0 380.452 2.678 50 0 GFAARO Cc1ccsc1CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)C[NH3+])s1 ZINC000020868644 207216987 /nfs/dbraw/zinc/21/69/87/207216987.db2.gz YHHNEZWRGGJBDE-ZDUSSCGKSA-N 1 0 377.535 2.713 50 0 GFAARO CCCOc1c(Br)cc(CNCCC[NH2+]CCO)cc1OCC ZINC000020968190 207221145 /nfs/dbraw/zinc/22/11/45/207221145.db2.gz DWUMJXABXGUAEL-UHFFFAOYSA-N 1 0 389.334 2.698 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(NC(=O)C2=CSCCO2)c1 ZINC000021019500 207224280 /nfs/dbraw/zinc/22/42/80/207224280.db2.gz RTFSFUYZQNHCBR-UHFFFAOYSA-N 1 0 389.521 2.836 50 0 GFAARO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000021795106 207237428 /nfs/dbraw/zinc/23/74/28/207237428.db2.gz ZCLAIKOUSKZHRQ-UHFFFAOYSA-N 1 0 396.495 2.748 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000023242115 207272130 /nfs/dbraw/zinc/27/21/30/207272130.db2.gz NRQVQKUCPGXVAG-INIZCTEOSA-N 1 0 386.323 2.958 50 0 GFAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc2c1OCO2 ZINC000023375433 207276843 /nfs/dbraw/zinc/27/68/43/207276843.db2.gz NQFVLZGHMFHKNR-FQEVSTJZSA-N 1 0 398.503 2.801 50 0 GFAARO COc1cc(OC)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 ZINC000023718671 207281460 /nfs/dbraw/zinc/28/14/60/207281460.db2.gz NUZWGVWCNQMDHK-IBGZPJMESA-N 1 0 386.492 2.703 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000027662223 207328583 /nfs/dbraw/zinc/32/85/83/207328583.db2.gz MTJWZBZTVPVYFX-HXUWFJFHSA-N 1 0 387.911 2.824 50 0 GFAARO O=C(c1cc(Br)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040118560 207342138 /nfs/dbraw/zinc/34/21/38/207342138.db2.gz RLXFZUJMVCLYGN-UHFFFAOYSA-N 1 0 385.277 2.773 50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CN1C1Cc2ccccc2C1 ZINC000032582176 207397642 /nfs/dbraw/zinc/39/76/42/207397642.db2.gz QPJFOBYTWJEOGI-NQIIRXRSSA-N 1 0 383.923 2.786 50 0 GFAARO CC(C)C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721196 207605265 /nfs/dbraw/zinc/60/52/65/207605265.db2.gz KRBXNULJNARLMZ-NRFANRHFSA-N 1 0 383.492 2.735 50 0 GFAARO CC(=O)[C@@H]1CC(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)=NN1c1ccccc1 ZINC000058324896 207773676 /nfs/dbraw/zinc/77/36/76/207773676.db2.gz LRRWRQSKOUHGAF-UTKZUKDTSA-N 1 0 384.524 2.839 50 0 GFAARO Cn1c2cn(CCC[NH+](C)C)c(-c3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000061719983 207788433 /nfs/dbraw/zinc/78/84/33/207788433.db2.gz YSAQABOWGVBTRC-UHFFFAOYSA-N 1 0 390.487 2.811 50 0 GFAARO CCN(Cc1noc(C)n1)C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065384005 207867150 /nfs/dbraw/zinc/86/71/50/207867150.db2.gz OOTRRDCHBRZLJJ-UHFFFAOYSA-N 1 0 378.860 2.581 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000067851470 207911616 /nfs/dbraw/zinc/91/16/16/207911616.db2.gz XCSKILIONZJZPC-LPHOPBHVSA-N 1 0 382.508 2.570 50 0 GFAARO O=C(CC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1)NC1CC1 ZINC000077521829 208048269 /nfs/dbraw/zinc/04/82/69/208048269.db2.gz LMKKQRVJRRVBSF-UHFFFAOYSA-N 1 0 389.927 2.823 50 0 GFAARO Cc1nc(C)n(C[C@H](C)C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000072409058 208016482 /nfs/dbraw/zinc/01/64/82/208016482.db2.gz QQXLCASNPRDWKL-MRTVRIQXSA-N 1 0 385.556 2.644 50 0 GFAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccccc1OCc1ccccn1 ZINC000072412091 208019280 /nfs/dbraw/zinc/01/92/80/208019280.db2.gz KIDVWKNWBKXBGP-UHFFFAOYSA-N 1 0 377.448 2.532 50 0 GFAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000072453907 208027904 /nfs/dbraw/zinc/02/79/04/208027904.db2.gz IMANTWSGHVATHH-GOSISDBHSA-N 1 0 378.501 2.659 50 0 GFAARO Cc1cc(C)cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000072463457 208029420 /nfs/dbraw/zinc/02/94/20/208029420.db2.gz ITHSHNWKGIUCRK-JOCHJYFZSA-N 1 0 387.568 2.685 50 0 GFAARO Cc1nc2ccc(C(=O)N3CC[N@H+](C4CCCC4)[C@H](CCO)C3)cc2nc1C ZINC000072480486 208034183 /nfs/dbraw/zinc/03/41/83/208034183.db2.gz IHZBJYJRCFYKGN-LJQANCHMSA-N 1 0 382.508 2.698 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc3ccccc31)CC2 ZINC000091656849 208127684 /nfs/dbraw/zinc/12/76/84/208127684.db2.gz SJIPLJLRWQKGOG-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091656115 208129186 /nfs/dbraw/zinc/12/91/86/208129186.db2.gz KMYCZHIYPKEGJI-JOCHJYFZSA-N 1 0 381.524 2.837 50 0 GFAARO C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000091665820 208133043 /nfs/dbraw/zinc/13/30/43/208133043.db2.gz FLNKAGZAHLHYJU-SFHVURJKSA-N 1 0 381.524 2.764 50 0 GFAARO Cc1ccc(CNC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000091745735 208135551 /nfs/dbraw/zinc/13/55/51/208135551.db2.gz UKGXUYSEZIHURK-HSZRJFAPSA-N 1 0 383.536 2.726 50 0 GFAARO Cc1[nH]c2ccccc2c1CC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091444508 208119193 /nfs/dbraw/zinc/11/91/93/208119193.db2.gz NFEHBEKLZFMQQF-UHFFFAOYSA-N 1 0 377.492 2.748 50 0 GFAARO CCn1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095372199 208165467 /nfs/dbraw/zinc/16/54/67/208165467.db2.gz FHNPTTSTNKOIOV-CEWLAPEOSA-N 1 0 380.492 2.614 50 0 GFAARO O=C(c1cccc(O)c1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378972 208173454 /nfs/dbraw/zinc/17/34/54/208173454.db2.gz VICFKQIFJABRFC-VLCRHTCISA-N 1 0 392.455 2.823 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000095379266 208173592 /nfs/dbraw/zinc/17/35/92/208173592.db2.gz UYUQKNDJNIHSHD-UHFFFAOYSA-N 1 0 375.904 2.903 50 0 GFAARO O=C1N(CC2CCC2)CCC[C@@]12CC[N@H+](Cc1nnc(-c3cccnc3)o1)C2 ZINC000091859899 208140326 /nfs/dbraw/zinc/14/03/26/208140326.db2.gz MONKRQRIRFZLPP-NRFANRHFSA-N 1 0 381.480 2.746 50 0 GFAARO O=C(c1cn2cc(Cl)ccc2n1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095386317 208174259 /nfs/dbraw/zinc/17/42/59/208174259.db2.gz IKQFVVFAOOXPTB-WMLDXEAASA-N 1 0 388.899 2.703 50 0 GFAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc(NC)c1)CC2 ZINC000091964839 208143087 /nfs/dbraw/zinc/14/30/87/208143087.db2.gz WOMOVZBTNKZGON-UHFFFAOYSA-N 1 0 382.512 2.636 50 0 GFAARO C=Cc1cccc(-c2cn(C3CC[NH+](C4CCS(=O)(=O)CC4)CC3)nn2)c1 ZINC000092078153 208151286 /nfs/dbraw/zinc/15/12/86/208151286.db2.gz OGODYNDDVOLXEJ-UHFFFAOYSA-N 1 0 386.521 2.802 50 0 GFAARO CNC(=O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095508545 208209729 /nfs/dbraw/zinc/20/97/29/208209729.db2.gz ZSWLYKXAZYFSMK-UHFFFAOYSA-N 1 0 395.931 2.705 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2nc(C)cc2C)C3)cc1 ZINC000095387304 208176996 /nfs/dbraw/zinc/17/69/96/208176996.db2.gz JAIBQTIUYDAYGC-VQTJNVASSA-N 1 0 382.508 2.632 50 0 GFAARO CCC[C@@H](C)CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000095399848 208178949 /nfs/dbraw/zinc/17/89/49/208178949.db2.gz FCWVOWSRTAJTFB-YLJYHZDGSA-N 1 0 382.570 2.788 50 0 GFAARO COc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1O ZINC000095391467 208179402 /nfs/dbraw/zinc/17/94/02/208179402.db2.gz LAWVMWJBIRRLBO-MRXNPFEDSA-N 1 0 386.496 2.569 50 0 GFAARO Cc1c(CC(=O)N2CC[C@@H](C[NH3+])C2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095500290 208202425 /nfs/dbraw/zinc/20/24/25/208202425.db2.gz YXOQSBXOSLRTSR-SFHVURJKSA-N 1 0 379.504 2.714 50 0 GFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1)c1cccnc1 ZINC000095501867 208202604 /nfs/dbraw/zinc/20/26/04/208202604.db2.gz IPGCNWHWOMYAIQ-INIZCTEOSA-N 1 0 377.448 2.774 50 0 GFAARO Cc1cccc(-c2cccc(NC(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000095516452 208215216 /nfs/dbraw/zinc/21/52/16/208215216.db2.gz QXZHJZOCRHJXCV-LJQANCHMSA-N 1 0 380.492 2.981 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ncoc1C ZINC000095517445 208216095 /nfs/dbraw/zinc/21/60/95/208216095.db2.gz OTDZSOOLYDKABF-SFHVURJKSA-N 1 0 397.519 2.951 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000095520198 208221298 /nfs/dbraw/zinc/22/12/98/208221298.db2.gz YWEFIXRXEUQUAE-MRXNPFEDSA-N 1 0 380.496 2.731 50 0 GFAARO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095523981 208222301 /nfs/dbraw/zinc/22/23/01/208222301.db2.gz RUWKHOVQUAIIKS-NRFANRHFSA-N 1 0 386.540 2.966 50 0 GFAARO COc1cc2cccnc2c(NC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000095522694 208224143 /nfs/dbraw/zinc/22/41/43/208224143.db2.gz YRDQPZUUWBUFQT-GOSISDBHSA-N 1 0 384.480 2.962 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cnc(C)nc3)C2)cc1 ZINC000095527685 208227198 /nfs/dbraw/zinc/22/71/98/208227198.db2.gz UYEGHRTUIYDYJD-IBGZPJMESA-N 1 0 382.508 2.820 50 0 GFAARO CN1CCC(CNc2cc(C(F)(F)F)nc3ncnn32)([NH+]2CCCCC2)CC1 ZINC000095962009 208246380 /nfs/dbraw/zinc/24/63/80/208246380.db2.gz MYYLZZXSFKGYAS-UHFFFAOYSA-N 1 0 397.449 2.505 50 0 GFAARO C[NH+]1CCC(O)(c2nc(-c3ccc(F)c(F)c3)nn2CC(F)(F)F)CC1 ZINC000096154154 208279686 /nfs/dbraw/zinc/27/96/86/208279686.db2.gz QMXTYJADYVNKHO-UHFFFAOYSA-N 1 0 376.329 2.699 50 0 GFAARO CC[N@@H+]1CC[C@@H](c2nc(C3CCOCC3)nn2-c2cnc3ccccc3n2)C1 ZINC000096164164 208280689 /nfs/dbraw/zinc/28/06/89/208280689.db2.gz UIYYWUDTLJIHJR-MRXNPFEDSA-N 1 0 378.480 2.914 50 0 GFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000096166966 208283799 /nfs/dbraw/zinc/28/37/99/208283799.db2.gz CVFBJSLWBNTZFC-NRFANRHFSA-N 1 0 393.531 2.967 50 0 GFAARO Cn1nc2cccc(NC(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)c2n1 ZINC000097522580 208355543 /nfs/dbraw/zinc/35/55/43/208355543.db2.gz UWAAQWMEVFPGQB-KRWDZBQOSA-N 1 0 378.480 2.969 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000237507457 208466795 /nfs/dbraw/zinc/46/67/95/208466795.db2.gz WIPWSYJONCRBLI-QFBILLFUSA-N 1 0 386.517 2.860 50 0 GFAARO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1)[C@]1(C)CCCO1 ZINC000239636959 209017580 /nfs/dbraw/zinc/01/75/80/209017580.db2.gz BHUSKJQLELFQKN-IQWFGDOHSA-N 1 0 396.535 2.998 50 0 GFAARO C[C@@H](O)c1ncc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000241862553 209019759 /nfs/dbraw/zinc/01/97/59/209019759.db2.gz SRARNODOLXSHSZ-CHWSQXEVSA-N 1 0 392.500 2.578 50 0 GFAARO C[NH+]1CCN(c2cc(CNC(=O)N3CCc4cc(Cl)ccc4C3)ccn2)CC1 ZINC000241316700 209020423 /nfs/dbraw/zinc/02/04/23/209020423.db2.gz LUDXHKVCGGIZEU-UHFFFAOYSA-N 1 0 399.926 2.755 50 0 GFAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800348 136157739 /nfs/dbraw/zinc/15/77/39/136157739.db2.gz QTVXEOBOHXQTMX-UHFFFAOYSA-N 1 0 384.459 2.878 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3ncnc4sccc43)CC2)C1)N1CCCC1 ZINC000071764106 136166347 /nfs/dbraw/zinc/16/63/47/136166347.db2.gz XJIXCPSCHWHJTG-MRXNPFEDSA-N 1 0 399.564 2.995 50 0 GFAARO Cc1nnc(-c2cccc(N3CCC([NH2+]CCN4CCOC4=O)CC3)c2)s1 ZINC000082039344 136173365 /nfs/dbraw/zinc/17/33/65/136173365.db2.gz XHJZSTCFLCGXED-UHFFFAOYSA-N 1 0 387.509 2.524 50 0 GFAARO O=C(CCn1cncn1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095947164 136182691 /nfs/dbraw/zinc/18/26/91/136182691.db2.gz LEAGADGMJHZEJP-UHFFFAOYSA-N 1 0 390.491 2.629 50 0 GFAARO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc2ccccc2n1 ZINC000095967265 136182894 /nfs/dbraw/zinc/18/28/94/136182894.db2.gz JHHKOJYBRSXKRO-GOSISDBHSA-N 1 0 376.508 2.888 50 0 GFAARO O=C(c1ccc(F)cc1Cl)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121054 136183875 /nfs/dbraw/zinc/18/38/75/136183875.db2.gz QDZCAVKONQWHKK-UHFFFAOYSA-N 1 0 389.862 2.832 50 0 GFAARO O=C(/C=C/c1ccccc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697956 136199828 /nfs/dbraw/zinc/19/98/28/136199828.db2.gz MUKBNNHNBYRGFU-RMKNXTFCSA-N 1 0 386.459 2.977 50 0 GFAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)NC[C@@H](O)c1cccc(O)c1 ZINC000426407484 534324970 /nfs/dbraw/zinc/32/49/70/534324970.db2.gz FHJJXXVLXFVNTC-OAQYLSRUSA-N 1 0 383.492 2.604 50 0 GFAARO CC(C)[C@@H](NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000241644366 528544335 /nfs/dbraw/zinc/54/43/35/528544335.db2.gz PQESKIOZKOMVCP-UNMKOGDSSA-N 1 0 390.524 2.895 50 0 GFAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000045089550 551145537 /nfs/dbraw/zinc/14/55/37/551145537.db2.gz IDVHTCHLZRSUAR-UHFFFAOYSA-N 1 0 383.311 2.788 50 0 GFAARO C[C@@H]1CN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H](C)O1 ZINC000067439757 551188741 /nfs/dbraw/zinc/18/87/41/551188741.db2.gz ISVWAHWLYNTMPS-ZIAGYGMSSA-N 1 0 399.329 2.809 50 0 GFAARO Cc1ccc(Br)nc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000170605054 551635914 /nfs/dbraw/zinc/63/59/14/551635914.db2.gz FZBQHWYCSABPNI-UHFFFAOYSA-N 1 0 396.329 2.917 50 0 GFAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000192936833 552978438 /nfs/dbraw/zinc/97/84/38/552978438.db2.gz CMDFIQMAPYCTAX-AWEZNQCLSA-N 1 0 385.942 2.939 50 0 GFAARO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)C1CC[NH2+]CC1 ZINC000237117508 553074763 /nfs/dbraw/zinc/07/47/63/553074763.db2.gz VNTCFHKUUXKARL-UHFFFAOYSA-N 1 0 381.249 2.598 50 0 GFAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000237427939 553077761 /nfs/dbraw/zinc/07/77/61/553077761.db2.gz JHEZJMHQFSVDED-BXUZGUMPSA-N 1 0 377.286 2.895 50 0 GFAARO COc1cccc([C@H](CNC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)[NH+](C)C)c1 ZINC000047681728 570214074 /nfs/dbraw/zinc/21/40/74/570214074.db2.gz XXLWZPKHPDCLJA-FBZGKKRMSA-N 1 0 395.503 2.632 50 0 GFAARO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CCCCCC2)c1 ZINC000006085766 570240417 /nfs/dbraw/zinc/24/04/17/570240417.db2.gz LZJRTZAGZPLYRE-UHFFFAOYSA-N 1 0 381.542 2.968 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1 ZINC000048353830 570240920 /nfs/dbraw/zinc/24/09/20/570240920.db2.gz KTXJBAQMYUVQNA-UHFFFAOYSA-N 1 0 378.476 2.825 50 0 GFAARO COc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000004385385 570372804 /nfs/dbraw/zinc/37/28/04/570372804.db2.gz QTJVUOOSCQXYBK-UHFFFAOYSA-N 1 0 385.464 2.717 50 0 GFAARO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000090608972 570384253 /nfs/dbraw/zinc/38/42/53/570384253.db2.gz PJIIKWJVLXTQEP-ZDUSSCGKSA-N 1 0 382.473 2.763 50 0 GFAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004574446 570385256 /nfs/dbraw/zinc/38/52/56/570385256.db2.gz QPKBDTATQRSVQP-UHFFFAOYSA-N 1 0 384.307 2.939 50 0 GFAARO CC(C)n1ncc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCCC3)cnc21 ZINC000069922902 570392388 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50 0 GFAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776155 570543207 /nfs/dbraw/zinc/54/32/07/570543207.db2.gz RNSLOKJMUXQGGE-GOSISDBHSA-N 1 0 397.523 2.687 50 0 GFAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022767156 570544059 /nfs/dbraw/zinc/54/40/59/570544059.db2.gz KMGSJWOVPPCVKN-IBGZPJMESA-N 1 0 393.578 2.632 50 0 GFAARO C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccccn3)C3CC3)cn2)CCO1 ZINC000193316806 570544151 /nfs/dbraw/zinc/54/41/51/570544151.db2.gz SWSFIERSNLUIAO-INIZCTEOSA-N 1 0 381.480 2.576 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000035477269 570553390 /nfs/dbraw/zinc/55/33/90/570553390.db2.gz WJJJQTWDXICAAZ-UHFFFAOYSA-N 1 0 379.508 2.964 50 0 GFAARO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662818 570577357 /nfs/dbraw/zinc/57/73/57/570577357.db2.gz NKPILMTXRZKDRK-OAHLLOKOSA-N 1 0 387.553 2.735 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCCN4CCOCC4)C3)C2)c1 ZINC000011818718 570585595 /nfs/dbraw/zinc/58/55/95/570585595.db2.gz VORCEGZNKJEZEB-DEOSSOPVSA-N 1 0 399.579 2.922 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1 ZINC000039532665 570593229 /nfs/dbraw/zinc/59/32/29/570593229.db2.gz KDCHDWSONZXDML-OAQYLSRUSA-N 1 0 386.471 2.546 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1nc2c3c(ncn2n1)sc1c3[C@@H](C)CCC1 ZINC000005443365 570594878 /nfs/dbraw/zinc/59/48/78/570594878.db2.gz ZQXFZLBCBWPDGV-LBPRGKRZSA-N 1 0 386.525 2.850 50 0 GFAARO Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCC[NH+](C)C)c1=O ZINC000012016329 570598420 /nfs/dbraw/zinc/59/84/20/570598420.db2.gz SGLCDYPREIWMFK-UHFFFAOYSA-N 1 0 390.487 2.796 50 0 GFAARO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1C ZINC000040720576 570605486 /nfs/dbraw/zinc/60/54/86/570605486.db2.gz OQFOTJAKRJJXGE-UHFFFAOYSA-N 1 0 378.900 2.908 50 0 GFAARO COc1ccc(OC)c(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000040731342 570608399 /nfs/dbraw/zinc/60/83/99/570608399.db2.gz DOWCHEAWJNFONA-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000012308938 570640282 /nfs/dbraw/zinc/64/02/82/570640282.db2.gz LVMUZPASNSLWFL-SFHVURJKSA-N 1 0 382.464 2.981 50 0 GFAARO COc1ccc(C(=O)N(C)[C@@H]2CCOC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012314342 570640793 /nfs/dbraw/zinc/64/07/93/570640793.db2.gz BQHNVCSYDSDMSD-QGZVFWFLSA-N 1 0 376.497 2.808 50 0 GFAARO C[C@H](NC(=O)CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 ZINC000072313484 570651406 /nfs/dbraw/zinc/65/14/06/570651406.db2.gz SNUYKGVHEPXUIG-CDNPAEQRSA-N 1 0 399.579 2.664 50 0 GFAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000033028214 570665578 /nfs/dbraw/zinc/66/55/78/570665578.db2.gz RLWLGKXRQRMDJF-DYESRHJHSA-N 1 0 382.460 2.788 50 0 GFAARO O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCCC1 ZINC000033031757 570668989 /nfs/dbraw/zinc/66/89/89/570668989.db2.gz KUPMLEVMQWIQMA-UHFFFAOYSA-N 1 0 398.482 2.776 50 0 GFAARO COc1ccc(OC)c(CC(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012456218 570669137 /nfs/dbraw/zinc/66/91/37/570669137.db2.gz PZELYTSMHONUSS-HXUWFJFHSA-N 1 0 394.515 2.994 50 0 GFAARO CN(Cc1nc2ccccc2[nH]1)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000053523811 570674945 /nfs/dbraw/zinc/67/49/45/570674945.db2.gz RPXQREWGGHHZFA-QFIPXVFZSA-N 1 0 384.524 2.929 50 0 GFAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)ccc1C ZINC000006882069 570677750 /nfs/dbraw/zinc/67/77/50/570677750.db2.gz MSHKXQXQOHUEIY-HNNXBMFYSA-N 1 0 381.542 2.696 50 0 GFAARO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 ZINC000033040121 570679149 /nfs/dbraw/zinc/67/91/49/570679149.db2.gz RCOQHIZVXGVCFI-KSSFIOAISA-N 1 0 375.494 2.710 50 0 GFAARO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3ccc(CSc4nc[nH]n4)o3)C2)C1 ZINC000055325499 570691117 /nfs/dbraw/zinc/69/11/17/570691117.db2.gz XYBLHSPLTQFALX-GOSISDBHSA-N 1 0 375.498 2.638 50 0 GFAARO O=C(NCc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012707497 570701106 /nfs/dbraw/zinc/70/11/06/570701106.db2.gz LQGLFKFNKYGLGU-GOSISDBHSA-N 1 0 387.499 2.555 50 0 GFAARO COC(=O)CCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012709759 570702236 /nfs/dbraw/zinc/70/22/36/570702236.db2.gz HOBXBGMXCJVZNX-LJQANCHMSA-N 1 0 390.524 2.751 50 0 GFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)CCN1CCCO1 ZINC000012757636 570710208 /nfs/dbraw/zinc/71/02/08/570710208.db2.gz SXWSUOBVPLAAFZ-UHFFFAOYSA-N 1 0 377.504 2.566 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004374403 570720174 /nfs/dbraw/zinc/72/01/74/570720174.db2.gz UITARRRUYPCPDC-MRXNPFEDSA-N 1 0 378.904 2.621 50 0 GFAARO O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012975090 570734554 /nfs/dbraw/zinc/73/45/54/570734554.db2.gz STAYWVNJZLWXFO-KRWDZBQOSA-N 1 0 383.448 2.921 50 0 GFAARO C[C@@H]1CN(Cc2cccc(C(=O)Nc3ccc4c(c3)CC(=O)N4)c2)[C@@H](C)C[NH2+]1 ZINC000065395178 570765534 /nfs/dbraw/zinc/76/55/34/570765534.db2.gz WJBRAQDQDUCUMA-CABCVRRESA-N 1 0 378.476 2.616 50 0 GFAARO COc1cccc(OC)c1OCC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000065398906 570766229 /nfs/dbraw/zinc/76/62/29/570766229.db2.gz WSNIQBAFKXWHRK-UHFFFAOYSA-N 1 0 397.475 2.981 50 0 GFAARO COc1cc(NC(=O)C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)ccc1Cl ZINC000065398901 570766265 /nfs/dbraw/zinc/76/62/65/570766265.db2.gz UYXDPNUUCCSBIE-AWEZNQCLSA-N 1 0 391.855 2.775 50 0 GFAARO O=C(Nc1cnns1)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000065452415 570768956 /nfs/dbraw/zinc/76/89/56/570768956.db2.gz YXUFAOOWBPUQGS-MRXNPFEDSA-N 1 0 382.493 2.899 50 0 GFAARO Cc1c(C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)c(=O)n(-c2ccccc2)n1C ZINC000065461220 570769770 /nfs/dbraw/zinc/76/97/70/570769770.db2.gz KYHVJYRWSZBNJA-HSZRJFAPSA-N 1 0 377.488 2.886 50 0 GFAARO Cc1nc(-c2ccc(Cn3cnc4sc5c(c4c3=O)CC[NH2+]C5)cc2)no1 ZINC000065464412 570769957 /nfs/dbraw/zinc/76/99/57/570769957.db2.gz VITIWJZUATWLKO-UHFFFAOYSA-N 1 0 379.445 2.510 50 0 GFAARO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1(n2cnnn2)CCCCC1 ZINC000524734268 570770233 /nfs/dbraw/zinc/77/02/33/570770233.db2.gz OFUKFUXODQFJDK-UHFFFAOYSA-N 1 0 398.511 2.836 50 0 GFAARO CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]([NH3+])CC(C)(C)C)CC1 ZINC000067489721 570780660 /nfs/dbraw/zinc/78/06/60/570780660.db2.gz NNFGOWIFWNMWCI-MRXNPFEDSA-N 1 0 377.533 2.795 50 0 GFAARO O=C([C@@H]1CC[NH2+]C1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067675840 570785768 /nfs/dbraw/zinc/78/57/68/570785768.db2.gz VBJJXRQANXNJOE-CYBMUJFWSA-N 1 0 395.484 2.999 50 0 GFAARO C[NH+](C)CCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000067855636 570794560 /nfs/dbraw/zinc/79/45/60/570794560.db2.gz JWIJSAWWBJAUND-UHFFFAOYSA-N 1 0 383.496 2.524 50 0 GFAARO C[N@H+](Cc1ccc2nonc2c1)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000067947505 570797917 /nfs/dbraw/zinc/79/79/17/570797917.db2.gz UNUBWVSBKYPYOU-OAQYLSRUSA-N 1 0 386.496 2.588 50 0 GFAARO COc1cccc(CN2CC[N@H+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)c1 ZINC000067955121 570798401 /nfs/dbraw/zinc/79/84/01/570798401.db2.gz GIXHSIDNBZVWGQ-UHFFFAOYSA-N 1 0 375.513 2.822 50 0 GFAARO CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)C1CC[NH+](C)CC1 ZINC000007168305 570809315 /nfs/dbraw/zinc/80/93/15/570809315.db2.gz ZIHPGWAQOOGXQJ-UHFFFAOYSA-N 1 0 390.487 2.611 50 0 GFAARO CC(C)C[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006023246 570814935 /nfs/dbraw/zinc/81/49/35/570814935.db2.gz PDGVIBBLGORWGP-UHFFFAOYSA-N 1 0 387.933 2.699 50 0 GFAARO C[C@@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007374295 570830679 /nfs/dbraw/zinc/83/06/79/570830679.db2.gz OXGZVPGHKPRDMI-LBPRGKRZSA-N 1 0 387.402 2.903 50 0 GFAARO Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071439347 570835378 /nfs/dbraw/zinc/83/53/78/570835378.db2.gz LLWJZCZPVJSIJC-IBGZPJMESA-N 1 0 386.471 2.590 50 0 GFAARO CC(C)[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071498206 570838789 /nfs/dbraw/zinc/83/87/89/570838789.db2.gz ZGXYZJGDCPYBFU-LJQANCHMSA-N 1 0 382.508 2.516 50 0 GFAARO CC(C)c1ncc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071589513 570840948 /nfs/dbraw/zinc/84/09/48/570840948.db2.gz FGZIWYQVWGRZFK-SFHVURJKSA-N 1 0 385.556 2.555 50 0 GFAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000043940972 570842025 /nfs/dbraw/zinc/84/20/25/570842025.db2.gz PGDKBZNOGRITLQ-UHFFFAOYSA-N 1 0 393.459 2.993 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000071681219 570842422 /nfs/dbraw/zinc/84/24/22/570842422.db2.gz CRPLIDFERHFFLC-SFHVURJKSA-N 1 0 394.519 2.763 50 0 GFAARO CC(C)N1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065169892 570842668 /nfs/dbraw/zinc/84/26/68/570842668.db2.gz LBGHQUXFVTZBNK-JOCHJYFZSA-N 1 0 383.536 2.998 50 0 GFAARO COc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071746916 570845034 /nfs/dbraw/zinc/84/50/34/570845034.db2.gz SPARLBVLOUDFER-KRWDZBQOSA-N 1 0 389.515 2.789 50 0 GFAARO Cc1nc(C(C)C)cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071750126 570846896 /nfs/dbraw/zinc/84/68/96/570846896.db2.gz IBUWBXUWCQQWLI-KRWDZBQOSA-N 1 0 385.556 2.868 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CN2CCCC2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752042 570847227 /nfs/dbraw/zinc/84/72/27/570847227.db2.gz KUJJNVJBCIHEGW-LJQANCHMSA-N 1 0 375.488 2.507 50 0 GFAARO CNS(=O)(=O)c1ccc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc1 ZINC000071754047 570848059 /nfs/dbraw/zinc/84/80/59/570848059.db2.gz LKPREYZAJMUJIL-HXUWFJFHSA-N 1 0 379.570 2.537 50 0 GFAARO CC(C)[C@H]1CN(CC(=O)Nc2cnn(C)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071765062 570851563 /nfs/dbraw/zinc/85/15/63/570851563.db2.gz NSBKORAZNABBBG-HXUWFJFHSA-N 1 0 387.503 2.730 50 0 GFAARO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000032850983 570854214 /nfs/dbraw/zinc/85/42/14/570854214.db2.gz JEKSRQGTYUDFDC-UHFFFAOYSA-N 1 0 375.469 2.614 50 0 GFAARO COc1ccc([C@H](CN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)[NH+](C)C)cc1 ZINC000170613691 570871036 /nfs/dbraw/zinc/87/10/36/570871036.db2.gz USOXKHBRWBJRLW-PMACEKPBSA-N 1 0 379.460 2.687 50 0 GFAARO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCN[C@H](C(=O)NCc2cccnc2)C1 ZINC000072152044 570873657 /nfs/dbraw/zinc/87/36/57/570873657.db2.gz RMNCZHFGVMFDHL-IBGZPJMESA-N 1 0 378.476 2.535 50 0 GFAARO O=C(Nc1ccccc1Oc1ccccc1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072156292 570874563 /nfs/dbraw/zinc/87/45/63/570874563.db2.gz NAQSKPFQLNPODK-OAQYLSRUSA-N 1 0 383.448 2.702 50 0 GFAARO Cn1c(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc2ccccc21 ZINC000072161649 570875874 /nfs/dbraw/zinc/87/58/74/570875874.db2.gz KLANMKGTBSOJFA-RTWAWAEBSA-N 1 0 375.472 2.645 50 0 GFAARO O=C(NCCCSc1ccccc1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000534589142 570905733 /nfs/dbraw/zinc/90/57/33/570905733.db2.gz SCOMKXKJIPAPOA-FQEVSTJZSA-N 1 0 388.581 2.590 50 0 GFAARO Cc1nc(CNC(=O)c2cccc(-c3ccc(C[NH+]4CCCC4)cn3)c2)no1 ZINC000534649968 570913716 /nfs/dbraw/zinc/91/37/16/570913716.db2.gz SGGRFTXQCOZLQE-UHFFFAOYSA-N 1 0 377.448 2.966 50 0 GFAARO COC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)c(O)c1 ZINC000534670883 570920921 /nfs/dbraw/zinc/92/09/21/570920921.db2.gz UTVBNUWILRUZCY-SFHVURJKSA-N 1 0 380.444 2.766 50 0 GFAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCNC(=O)c2cccc(C)c2)CC1 ZINC000012642030 570933822 /nfs/dbraw/zinc/93/38/22/570933822.db2.gz HRPKYDYYMRCYTJ-UHFFFAOYSA-N 1 0 394.519 2.896 50 0 GFAARO Cc1csc2nc(CN3CCC(C(=O)Nc4ncccc4C)CC3)cc(=O)n12 ZINC000047261488 570950440 /nfs/dbraw/zinc/95/04/40/570950440.db2.gz CAQSIYKPFZCJMD-UHFFFAOYSA-N 1 0 397.504 2.619 50 0 GFAARO Cc1cc(C)n(-c2ccc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)cn2)n1 ZINC000193984917 570951262 /nfs/dbraw/zinc/95/12/62/570951262.db2.gz FDUOWLCDXNBAPO-UHFFFAOYSA-N 1 0 390.491 2.674 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000004744128 570960066 /nfs/dbraw/zinc/96/00/66/570960066.db2.gz WMRUCRFBZWLYAG-UHFFFAOYSA-N 1 0 379.526 2.674 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccco2)CC1 ZINC000004749077 570961300 /nfs/dbraw/zinc/96/13/00/570961300.db2.gz OIBRFZAOHHQWCJ-VQHVLOKHSA-N 1 0 383.448 2.860 50 0 GFAARO CS[C@H]1CCC[C@@H]1N(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000170690275 571011026 /nfs/dbraw/zinc/01/10/26/571011026.db2.gz LQRLJCKJYVPJTI-PMACEKPBSA-N 1 0 390.597 2.860 50 0 GFAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000012571914 654501358 /nfs/dbraw/zinc/50/13/58/654501358.db2.gz UNEYXOZRNCJCFY-HNNXBMFYSA-N 1 0 384.567 2.581 50 0 GFAARO CCS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC[NH2+]C[C@@H]3C)c2)s1 ZINC000426443044 231221912 /nfs/dbraw/zinc/22/19/12/231221912.db2.gz RXLDNQPHLKQIOO-ZDUSSCGKSA-N 1 0 378.519 2.643 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000245325701 529695514 /nfs/dbraw/zinc/69/55/14/529695514.db2.gz HLJFSDOUDBCMRB-WQWSPGPQSA-N 1 0 389.883 2.515 50 0 GFAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)C1 ZINC000133272725 209112565 /nfs/dbraw/zinc/11/25/65/209112565.db2.gz ZWLUGJYWWWUJDX-OAHLLOKOSA-N 1 0 395.429 2.656 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2Br)on1 ZINC000126421594 209109591 /nfs/dbraw/zinc/10/95/91/209109591.db2.gz VXROIPMLSSDKJP-LBPRGKRZSA-N 1 0 394.269 2.758 50 0 GFAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)COc1ccccc1 ZINC000000847463 206327245 /nfs/dbraw/zinc/32/72/45/206327245.db2.gz YZVGXJBXRGLPRH-IBGZPJMESA-N 1 0 394.519 2.848 50 0 GFAARO COC(=O)c1ccc(N2C(=O)C[C@H](n3cnc4cc(C)c(C)cc43)C2=O)cc1 ZINC000001441066 206382048 /nfs/dbraw/zinc/38/20/48/206382048.db2.gz AULFYADTTHCAON-SFHVURJKSA-N 1 0 377.400 2.944 50 0 GFAARO COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC[NH+](C)C)cc1OC ZINC000010312803 206811526 /nfs/dbraw/zinc/81/15/26/206811526.db2.gz RKFNFMSRAMRKSO-UHFFFAOYSA-N 1 0 385.464 2.638 50 0 GFAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cnn1C ZINC000014530601 207021781 /nfs/dbraw/zinc/02/17/81/207021781.db2.gz BPEYMCZCFRIUJU-UHFFFAOYSA-N 1 0 389.544 2.782 50 0 GFAARO COc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1 ZINC000014533716 207023498 /nfs/dbraw/zinc/02/34/98/207023498.db2.gz LEKSIODLHVIVRJ-KRWDZBQOSA-N 1 0 384.524 2.897 50 0 GFAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014541568 207023747 /nfs/dbraw/zinc/02/37/47/207023747.db2.gz NMJOCCDRMSBSCV-UHFFFAOYSA-N 1 0 392.503 2.943 50 0 GFAARO Cc1nc2sccn2c1C[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C ZINC000014741133 207027414 /nfs/dbraw/zinc/02/74/14/207027414.db2.gz CDJADBLVKMWYLU-UHFFFAOYSA-N 1 0 389.525 2.589 50 0 GFAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014751714 207028848 /nfs/dbraw/zinc/02/88/48/207028848.db2.gz RVXXJWYFEBMVJP-KRWDZBQOSA-N 1 0 390.572 2.631 50 0 GFAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cn1 ZINC000015070798 207045032 /nfs/dbraw/zinc/04/50/32/207045032.db2.gz GVESYMGQGQSWAX-NRFANRHFSA-N 1 0 384.455 2.639 50 0 GFAARO CCN(CC[NH+](C)C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000015675263 207053895 /nfs/dbraw/zinc/05/38/95/207053895.db2.gz NLNSYYQAJXFLSL-UHFFFAOYSA-N 1 0 376.526 2.517 50 0 GFAARO COc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(OC)c1 ZINC000016215496 207074611 /nfs/dbraw/zinc/07/46/11/207074611.db2.gz JXYUWPOPWYGUHO-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO c1cn(CCC[NH+]2CCOCC2)nc1-c1cccc(-c2cnn3cccnc23)c1 ZINC000019146556 207105578 /nfs/dbraw/zinc/10/55/78/207105578.db2.gz VDICBSBCJZRGEE-UHFFFAOYSA-N 1 0 388.475 2.982 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)CC1 ZINC000019299754 207114281 /nfs/dbraw/zinc/11/42/81/207114281.db2.gz ZAJXISKBHLXDGR-QFIPXVFZSA-N 1 0 384.568 2.909 50 0 GFAARO COCCNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000019740061 207156869 /nfs/dbraw/zinc/15/68/69/207156869.db2.gz ILUONVNBKMQVBP-UHFFFAOYSA-N 1 0 388.487 2.971 50 0 GFAARO O=C1C[C@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccccc1 ZINC000019848234 207166031 /nfs/dbraw/zinc/16/60/31/207166031.db2.gz QDAYJKBPVWIXSM-IOFSEFHDSA-N 1 0 393.531 2.905 50 0 GFAARO O=c1c2[nH]c3ccccc3c2ncn1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020438298 207193103 /nfs/dbraw/zinc/19/31/03/207193103.db2.gz ISGIPRWERFAXQG-UHFFFAOYSA-N 1 0 387.487 2.696 50 0 GFAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)CC1 ZINC000020538147 207201726 /nfs/dbraw/zinc/20/17/26/207201726.db2.gz ZTUNZOWNVYRTQI-QGZVFWFLSA-N 1 0 379.495 2.774 50 0 GFAARO CN1Cc2ccccc2C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000020600267 207206640 /nfs/dbraw/zinc/20/66/40/207206640.db2.gz JLWCKEKBWBREMI-IBGZPJMESA-N 1 0 376.460 2.952 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)cc1CO ZINC000022853438 207262371 /nfs/dbraw/zinc/26/23/71/207262371.db2.gz DPLBKSOUUPSYAJ-HSZRJFAPSA-N 1 0 398.547 2.955 50 0 GFAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CC[NH+](CCO)CC2)o1 ZINC000022912051 207262821 /nfs/dbraw/zinc/26/28/21/207262821.db2.gz ZXMFJHUQXRFANC-UHFFFAOYSA-N 1 0 384.455 2.690 50 0 GFAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023372911 207275241 /nfs/dbraw/zinc/27/52/41/207275241.db2.gz MFVAXXHAGFZUGI-HSZRJFAPSA-N 1 0 395.547 2.844 50 0 GFAARO C[NH+]1CCC(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000023449544 207277864 /nfs/dbraw/zinc/27/78/64/207277864.db2.gz HYJDIQXRLYFFGY-UHFFFAOYSA-N 1 0 378.476 2.826 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000024139864 207288805 /nfs/dbraw/zinc/28/88/05/207288805.db2.gz KQBFUWGQYQCGHT-IBGZPJMESA-N 1 0 383.492 2.786 50 0 GFAARO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(Br)c1 ZINC000040090065 207337340 /nfs/dbraw/zinc/33/73/40/207337340.db2.gz PZDCGHIAMFTAFO-UHFFFAOYSA-N 1 0 375.332 2.910 50 0 GFAARO O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898952 207366592 /nfs/dbraw/zinc/36/65/92/207366592.db2.gz QCHXMSNKWSKSMN-IBGZPJMESA-N 1 0 397.475 2.887 50 0 GFAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccccc1Cl ZINC000032565440 207397799 /nfs/dbraw/zinc/39/77/99/207397799.db2.gz WEVFLWGCJDXPDU-PXNSSMCTSA-N 1 0 387.911 2.914 50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(SC)cc2)CN1C1Cc2ccccc2C1 ZINC000032540547 207398037 /nfs/dbraw/zinc/39/80/37/207398037.db2.gz CAZHJKSKKYYPJW-KNQAVFIVSA-N 1 0 395.572 2.854 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018773 207430852 /nfs/dbraw/zinc/43/08/52/207430852.db2.gz BVBGNZSFYDQYPV-KRWDZBQOSA-N 1 0 394.523 2.557 50 0 GFAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)NC[C@H]1CCCO1 ZINC000077191610 207555377 /nfs/dbraw/zinc/55/53/77/207555377.db2.gz FWKOJXFMAFUIDU-LJQANCHMSA-N 1 0 380.916 2.864 50 0 GFAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120130 207579178 /nfs/dbraw/zinc/57/91/78/207579178.db2.gz CFPYJNOTZLGCIC-HNNXBMFYSA-N 1 0 399.457 2.758 50 0 GFAARO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N(Cc1ccccn1)C1CCCCC1 ZINC000067790234 207906640 /nfs/dbraw/zinc/90/66/40/207906640.db2.gz DUMMMVANNMEVLA-KRWDZBQOSA-N 1 0 382.512 2.648 50 0 GFAARO O=C(Cc1c(F)cccc1Cl)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072153610 207982812 /nfs/dbraw/zinc/98/28/12/207982812.db2.gz NCEVMPUOPKUCAF-UXHICEINSA-N 1 0 388.870 2.875 50 0 GFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000072411216 208019997 /nfs/dbraw/zinc/01/99/97/208019997.db2.gz LTMYAENGBFQKHW-GASCZTMLSA-N 1 0 388.487 2.735 50 0 GFAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)C[C@H](O)CO ZINC000072427299 208021852 /nfs/dbraw/zinc/02/18/52/208021852.db2.gz UEQGLRPXGQIHCM-KRWDZBQOSA-N 1 0 387.430 2.911 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@H](c1ccccc1)c1ccccn1 ZINC000072478680 208032592 /nfs/dbraw/zinc/03/25/92/208032592.db2.gz KHTNVDDKGCLGFQ-JOCHJYFZSA-N 1 0 375.476 2.610 50 0 GFAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077436907 208043573 /nfs/dbraw/zinc/04/35/73/208043573.db2.gz VQZXJAWSVDILPD-JOCHJYFZSA-N 1 0 383.492 2.709 50 0 GFAARO CSc1nccn1-c1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000078998553 208068140 /nfs/dbraw/zinc/06/81/40/208068140.db2.gz FKVUSURZTDKAJQ-GOSISDBHSA-N 1 0 376.551 2.761 50 0 GFAARO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1I ZINC000079057411 208070732 /nfs/dbraw/zinc/07/07/32/208070732.db2.gz VYMNAUSHPPPTFO-YPMHNXCESA-N 1 0 384.261 2.955 50 0 GFAARO COc1ccc(OCC[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000084651620 208096760 /nfs/dbraw/zinc/09/67/60/208096760.db2.gz RSFZOXQWMWVHLY-OAHLLOKOSA-N 1 0 378.494 2.675 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn(C)c3ccccc13)CC2 ZINC000091625990 208129389 /nfs/dbraw/zinc/12/93/89/208129389.db2.gz PKNQFGQDNLNUTP-UHFFFAOYSA-N 1 0 377.492 2.911 50 0 GFAARO CC1(C)CN(c2nnc(-c3ccccc3)s2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091756032 208134413 /nfs/dbraw/zinc/13/44/13/208134413.db2.gz VHIHZIVQIUMAST-FQEVSTJZSA-N 1 0 388.537 2.505 50 0 GFAARO O=c1cc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]c2c(F)cccc12 ZINC000091757309 208134559 /nfs/dbraw/zinc/13/45/59/208134559.db2.gz CEFKXVSNHYMWJO-UHFFFAOYSA-N 1 0 377.463 2.952 50 0 GFAARO CCCc1nnsc1C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091819117 208137646 /nfs/dbraw/zinc/13/76/46/208137646.db2.gz GZRXNAGPNIVDAG-UHFFFAOYSA-N 1 0 388.541 2.765 50 0 GFAARO CC(C)(CNC(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1)[NH+]1CCCC1 ZINC000091793265 208138750 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ZINC000091985402 208142876 /nfs/dbraw/zinc/14/28/76/208142876.db2.gz GBRXUFZANSGWIJ-QZTJIDSGSA-N 1 0 381.476 2.525 50 0 GFAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000091985969 208143510 /nfs/dbraw/zinc/14/35/10/208143510.db2.gz GBYMQZLBIPTGSD-IBGZPJMESA-N 1 0 383.536 2.941 50 0 GFAARO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000092019285 208146885 /nfs/dbraw/zinc/14/68/85/208146885.db2.gz KRQFMFSBDAYJPT-HSZRJFAPSA-N 1 0 383.536 2.726 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cncnc2C)C1 ZINC000095509622 208210442 /nfs/dbraw/zinc/21/04/42/208210442.db2.gz RQOFDMQLPRNJPK-SFHVURJKSA-N 1 0 382.508 2.820 50 0 GFAARO C[C@@H]([NH3+])C(=O)N1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000095519302 208217911 /nfs/dbraw/zinc/21/79/11/208217911.db2.gz VGPCKMAKBYGJOI-CQSZACIVSA-N 1 0 393.915 2.683 50 0 GFAARO COC(=O)c1ccc(NC(=O)N2CC[NH+](C3CCSCC3)CC2)c(C)c1 ZINC000095516733 208218196 /nfs/dbraw/zinc/21/81/96/208218196.db2.gz BYQOCXBWHUJFOK-UHFFFAOYSA-N 1 0 377.510 2.827 50 0 GFAARO Cc1c(CC(=O)N2CCC([NH3+])CC2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095521404 208219387 /nfs/dbraw/zinc/21/93/87/208219387.db2.gz LMKSFDOVQSEQLH-UHFFFAOYSA-N 1 0 379.504 2.856 50 0 GFAARO COc1ccc(CN(C)Cc2ccncc2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095528268 208227070 /nfs/dbraw/zinc/22/70/70/208227070.db2.gz KXVTWCNPNKINHH-OAQYLSRUSA-N 1 0 399.535 2.866 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)S(C)(=O)=O ZINC000095528818 208227501 /nfs/dbraw/zinc/22/75/01/208227501.db2.gz RPZCZTHTAMQLMG-HNNXBMFYSA-N 1 0 378.460 2.851 50 0 GFAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000095529300 208229604 /nfs/dbraw/zinc/22/96/04/208229604.db2.gz GOQDTAALCUCYOV-QGZVFWFLSA-N 1 0 376.460 2.971 50 0 GFAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)Nc1ccccc1OCc1ccccn1 ZINC000096150350 208275955 /nfs/dbraw/zinc/27/59/55/208275955.db2.gz VIKYFSLWEZOLIK-GOSISDBHSA-N 1 0 384.480 2.629 50 0 GFAARO CCOC(=O)[C@@H](Cc1cc(-c2ccccc2Cl)on1)CN1CC[NH+](C)CC1 ZINC000096316084 208306899 /nfs/dbraw/zinc/30/68/99/208306899.db2.gz JELAZEWGZNGTFU-HNNXBMFYSA-N 1 0 391.899 2.964 50 0 GFAARO Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230209280 209006445 /nfs/dbraw/zinc/00/64/45/209006445.db2.gz BIYBBESDDGXOLM-QUCCMNQESA-N 1 0 381.524 2.807 50 0 GFAARO Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)n1 ZINC000238950619 209018060 /nfs/dbraw/zinc/01/80/60/209018060.db2.gz ZALXBUPLKWCELC-AABGKKOBSA-N 1 0 385.556 2.691 50 0 GFAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000299799022 209090797 /nfs/dbraw/zinc/09/07/97/209090797.db2.gz UIXFPRJZZZNINA-MRXNPFEDSA-N 1 0 380.448 2.629 50 0 GFAARO O=C(Nc1ccc2c(c1)OC(F)(F)O2)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299783943 209088258 /nfs/dbraw/zinc/08/82/58/209088258.db2.gz KPUCBLKWYUJQEE-AWEZNQCLSA-N 1 0 383.395 2.773 50 0 GFAARO COc1cccc(CCNC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)c1 ZINC000426409315 533460169 /nfs/dbraw/zinc/46/01/69/533460169.db2.gz LRBBNIZSPAWBJX-UHFFFAOYSA-N 1 0 382.508 2.939 50 0 GFAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 ZINC000065216078 136160356 /nfs/dbraw/zinc/16/03/56/136160356.db2.gz CCFUZWSAIINVPE-KRWDZBQOSA-N 1 0 384.528 2.894 50 0 GFAARO Cc1cc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)nc(-c2cccnc2)n1 ZINC000065376621 136163751 /nfs/dbraw/zinc/16/37/51/136163751.db2.gz FGVLIPWTCPQERU-GOSISDBHSA-N 1 0 380.540 2.699 50 0 GFAARO CC(C)c1cncnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071712158 136165833 /nfs/dbraw/zinc/16/58/33/136165833.db2.gz GUAXSIXJKBJDDM-SFHVURJKSA-N 1 0 385.556 2.903 50 0 GFAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 ZINC000072173905 136167582 /nfs/dbraw/zinc/16/75/82/136167582.db2.gz PZVGRDTZSHRGNJ-IBGZPJMESA-N 1 0 379.508 2.813 50 0 GFAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(c2ccccc2)C(=O)C1 ZINC000082096564 136173443 /nfs/dbraw/zinc/17/34/43/136173443.db2.gz DGYQRGDQGZFUSU-NRFANRHFSA-N 1 0 377.488 2.917 50 0 GFAARO CNc1cc(C)[nH+]c(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 ZINC000095354301 136177870 /nfs/dbraw/zinc/17/78/70/136177870.db2.gz VUGCZYWXBSYPOM-UHFFFAOYSA-N 1 0 394.523 2.673 50 0 GFAARO O=C1COc2cccnc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000095378939 136178788 /nfs/dbraw/zinc/17/87/88/136178788.db2.gz YLDCIUZBMJRCDK-UHFFFAOYSA-N 1 0 386.883 2.673 50 0 GFAARO Cc1noc(C)c1C[N@@H+](C)CCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000095456904 136179290 /nfs/dbraw/zinc/17/92/90/136179290.db2.gz FIIAISLVVHZYNX-HXUWFJFHSA-N 1 0 398.507 2.767 50 0 GFAARO CCC(=O)Nc1cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000096164974 136184862 /nfs/dbraw/zinc/18/48/62/136184862.db2.gz JNPGOGDXOJKQAD-UHFFFAOYSA-N 1 0 383.452 2.793 50 0 GFAARO Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NCC[NH+](C)C)cc1 ZINC000096323081 136186616 /nfs/dbraw/zinc/18/66/16/136186616.db2.gz CGSYNXHIEGPNBQ-IBGZPJMESA-N 1 0 385.483 2.970 50 0 GFAARO C[N@H+](CCNC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1)C1CCCCC1 ZINC000096387309 136186829 /nfs/dbraw/zinc/18/68/29/136186829.db2.gz LOKDVQYZFJYVKM-KRWDZBQOSA-N 1 0 396.539 2.622 50 0 GFAARO O[C@H]1CN(Cc2ccccc2)CC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000108265915 136191902 /nfs/dbraw/zinc/19/19/02/136191902.db2.gz PXNAEJYLMYDWPM-NRFANRHFSA-N 1 0 383.511 2.973 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1 ZINC000215810121 136203064 /nfs/dbraw/zinc/20/30/64/136203064.db2.gz YDWHVGJARITTFJ-LJQANCHMSA-N 1 0 379.508 2.667 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(-n4ccnc4)cc3)cc2C1 ZINC000299772504 209086329 /nfs/dbraw/zinc/08/63/29/209086329.db2.gz AEVFTEHXVPDBTL-UHFFFAOYSA-N 1 0 378.480 2.615 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000023197895 221588338 /nfs/dbraw/zinc/58/83/38/221588338.db2.gz WDWHUUYBJMULOK-CTNGQTDRSA-N 1 0 380.488 2.837 50 0 GFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000426471355 534573223 /nfs/dbraw/zinc/57/32/23/534573223.db2.gz LGFUEGVEEJLCOB-FUHWJXTLSA-N 1 0 391.947 2.831 50 0 GFAARO C[NH+]1CCC(Nc2ccc(C(=O)N3CCC(CCn4cccn4)CC3)cn2)CC1 ZINC000019220124 523778712 /nfs/dbraw/zinc/77/87/12/523778712.db2.gz JQWKSMJFIASMNI-UHFFFAOYSA-N 1 0 396.539 2.727 50 0 GFAARO CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000012612761 523878012 /nfs/dbraw/zinc/87/80/12/523878012.db2.gz DHPRDCSFYDKVTE-UHFFFAOYSA-N 1 0 380.492 2.997 50 0 GFAARO O=C(c1ccccc1-n1cnnc1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426658515 534748324 /nfs/dbraw/zinc/74/83/24/534748324.db2.gz RAFSEULOZPBQLV-HXUWFJFHSA-N 1 0 387.487 2.583 50 0 GFAARO COc1ccc([C@@H](CNC(=O)CCN2CCSC2=O)[NH+]2CCCC2)cc1 ZINC000040007670 525182076 /nfs/dbraw/zinc/18/20/76/525182076.db2.gz DXYSDEKZRJYQEU-QGZVFWFLSA-N 1 0 377.510 2.507 50 0 GFAARO CC[C@H](CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)[NH+](C)C ZINC000426505969 529360048 /nfs/dbraw/zinc/36/00/48/529360048.db2.gz XRMKGMDQJVXTTP-OAHLLOKOSA-N 1 0 390.553 2.981 50 0 GFAARO CCNc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000065363190 535522474 /nfs/dbraw/zinc/52/24/74/535522474.db2.gz NCWPKTWSWQNVPV-UHFFFAOYSA-N 1 0 389.887 2.598 50 0 GFAARO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCSc1ccc(Br)cc1 ZINC000006651095 551099638 /nfs/dbraw/zinc/09/96/38/551099638.db2.gz QKVKSIVOVQEVTO-CYBMUJFWSA-N 1 0 387.343 2.768 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000178973605 552181433 /nfs/dbraw/zinc/18/14/33/552181433.db2.gz PBSDARBIMWBLNP-NSHDSACASA-N 1 0 375.694 2.939 50 0 GFAARO C[C@@](O)(CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1Br ZINC000225623083 553059762 /nfs/dbraw/zinc/05/97/62/553059762.db2.gz YIUUSSPKVBATOI-FUHWJXTLSA-N 1 0 381.314 2.647 50 0 GFAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)c(C)c1Br ZINC000237659872 553080475 /nfs/dbraw/zinc/08/04/75/553080475.db2.gz HHDRUDUEDAKSQG-HNNXBMFYSA-N 1 0 377.286 2.815 50 0 GFAARO CC[C@H]1C[N@@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000012412601 560211922 /nfs/dbraw/zinc/21/19/22/560211922.db2.gz DAXYUDFNWXHGBE-VKCGGMIFSA-N 1 0 384.476 2.700 50 0 biogenic,in-vitro GFAARO O=C(NCCCn1cc(Cl)cn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000584897364 565102931 /nfs/dbraw/zinc/10/29/31/565102931.db2.gz KJYORSOENWLONW-UHFFFAOYSA-N 1 0 381.933 2.906 50 0 GFAARO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000048301119 570234344 /nfs/dbraw/zinc/23/43/44/570234344.db2.gz GICSRADQSXQCFK-QUCCMNQESA-N 1 0 388.508 2.646 50 0 GFAARO C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3-c3ccco3)C[C@H]2CCO)CC1 ZINC000104445768 570258631 /nfs/dbraw/zinc/25/86/31/570258631.db2.gz RXGPNCQDPIHIMH-OAQYLSRUSA-N 1 0 383.536 2.909 50 0 GFAARO O=C(COc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1)N1CCCC1 ZINC000215010615 570283715 /nfs/dbraw/zinc/28/37/15/570283715.db2.gz XYVRRHRKBJBYOH-LJQANCHMSA-N 1 0 380.492 2.857 50 0 GFAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000248704402 570287799 /nfs/dbraw/zinc/28/77/99/570287799.db2.gz AOWYMTBFBZWPOG-OXQOHEQNSA-N 1 0 392.455 2.809 50 0 GFAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000215403851 570288399 /nfs/dbraw/zinc/28/83/99/570288399.db2.gz NNJXWKQXXIHXAY-UHFFFAOYSA-N 1 0 377.448 2.859 50 0 GFAARO CCc1ccc(CN(Cc2ccccc2OC)C(=O)[C@@H]2C[C@H]([NH3+])CN2C)cc1 ZINC000216231784 570297062 /nfs/dbraw/zinc/29/70/62/570297062.db2.gz LZDOVGAAPCCFGW-SFTDATJTSA-N 1 0 381.520 2.818 50 0 GFAARO Cn1cc([C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C2CC(O)C2)cn1 ZINC000218982914 570345147 /nfs/dbraw/zinc/34/51/47/570345147.db2.gz YYXNIKSQVDIFHW-MNLRITNHSA-N 1 0 382.508 2.648 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022767036 570376419 /nfs/dbraw/zinc/37/64/19/570376419.db2.gz WHGMGYOQRCQKJI-GOSISDBHSA-N 1 0 376.501 2.675 50 0 GFAARO Cc1c(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)nnn1C1CC[NH2+]CC1 ZINC000237643409 570386637 /nfs/dbraw/zinc/38/66/37/570386637.db2.gz GBLJQPFIVVBIHY-UHFFFAOYSA-N 1 0 397.523 2.811 50 0 GFAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000004703378 570395459 /nfs/dbraw/zinc/39/54/59/570395459.db2.gz MXBXTSWTXIQPJA-UHFFFAOYSA-N 1 0 385.961 2.521 50 0 GFAARO COc1ccccc1[C@H]1CN(C(=O)[C@H]2CC[C@@H](O)CC2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000240662410 570430880 /nfs/dbraw/zinc/43/08/80/570430880.db2.gz PKTQFPPHXQPTIX-IZHZWAPYSA-N 1 0 384.520 2.635 50 0 GFAARO CS[C@@H]1CN(c2ccc(C(=O)Nc3ccccc3)nn2)C[C@H]1[NH+]1CCCC1 ZINC000241132819 570431350 /nfs/dbraw/zinc/43/13/50/570431350.db2.gz JLYRAMLGIBZVJP-QZTJIDSGSA-N 1 0 383.521 2.745 50 0 GFAARO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc2c(c1)OCCO2 ZINC000072304789 570516226 /nfs/dbraw/zinc/51/62/26/570516226.db2.gz APKYAFUISYQQLD-UHFFFAOYSA-N 1 0 397.475 2.736 50 0 GFAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1 ZINC000036097172 570535395 /nfs/dbraw/zinc/53/53/95/570535395.db2.gz RYQURPWJTOVWGA-GOSISDBHSA-N 1 0 393.480 2.713 50 0 GFAARO O=C(CCN(C(=O)c1ccc(F)c(Cl)c1)C1CCCC1)N1CC[NH2+]CC1 ZINC000035482159 570553739 /nfs/dbraw/zinc/55/37/39/570553739.db2.gz LSMTXFUHLVCLEQ-UHFFFAOYSA-N 1 0 381.879 2.686 50 0 GFAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000009620693 570560341 /nfs/dbraw/zinc/56/03/41/570560341.db2.gz JNARDLGITQLZTE-UHFFFAOYSA-N 1 0 379.508 2.667 50 0 GFAARO CN1CCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355578 570566219 /nfs/dbraw/zinc/56/62/19/570566219.db2.gz ZMNFAHQXDYDTJF-UHFFFAOYSA-N 1 0 398.410 2.802 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000225470362 570577716 /nfs/dbraw/zinc/57/77/16/570577716.db2.gz GOGJZLZZQPYDAS-GOSISDBHSA-N 1 0 395.569 2.598 50 0 GFAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000011718033 570581167 /nfs/dbraw/zinc/58/11/67/570581167.db2.gz LPLZLORNMNCQOQ-UHFFFAOYSA-N 1 0 394.479 2.715 50 0 GFAARO O=C(NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)[C@H]1CCCO1 ZINC000011814312 570583329 /nfs/dbraw/zinc/58/33/29/570583329.db2.gz PEJRHUJEIUVODX-NHCUHLMSSA-N 1 0 386.536 2.928 50 0 GFAARO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000225524013 570583656 /nfs/dbraw/zinc/58/36/56/570583656.db2.gz WXXZSHIAYQUKGH-FQEVSTJZSA-N 1 0 395.544 2.843 50 0 GFAARO CCN(CC[NH+](CC)CC)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011874012 570590017 /nfs/dbraw/zinc/59/00/17/570590017.db2.gz UBSQWIMCUFLHKB-IBGZPJMESA-N 1 0 391.531 2.797 50 0 GFAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000011878696 570590412 /nfs/dbraw/zinc/59/04/12/570590412.db2.gz VGRHHWWSHLOIHB-UHFFFAOYSA-N 1 0 375.488 2.667 50 0 GFAARO Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)C[NH+]2CCCCC2)C3)n1 ZINC000011979823 570596741 /nfs/dbraw/zinc/59/67/41/570596741.db2.gz BFSYAJTYNGLCPO-MRXNPFEDSA-N 1 0 398.482 2.805 50 0 GFAARO COc1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)no2)c(Cl)c1 ZINC000012019858 570598310 /nfs/dbraw/zinc/59/83/10/570598310.db2.gz AFBNWSFPSKVYLZ-ZDUSSCGKSA-N 1 0 391.855 2.836 50 0 GFAARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4cccs4)CC3)O2)n(C)n1 ZINC000012023363 570599020 /nfs/dbraw/zinc/59/90/20/570599020.db2.gz KIWZTKAXXDZQJZ-INIZCTEOSA-N 1 0 388.537 2.734 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)COC)CC2)c(Cl)c1 ZINC000012028060 570599452 /nfs/dbraw/zinc/59/94/52/570599452.db2.gz JRLCXYZNRKTLQU-CQSZACIVSA-N 1 0 384.904 2.594 50 0 GFAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H]1CCOC1 ZINC000012074901 570605267 /nfs/dbraw/zinc/60/52/67/570605267.db2.gz QKOHTSLJYJDWDF-SFHVURJKSA-N 1 0 396.491 2.630 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H]2CCOC2)c1 ZINC000012430455 570659182 /nfs/dbraw/zinc/65/91/82/570659182.db2.gz WJJFRVMOIDYLHZ-INIZCTEOSA-N 1 0 388.508 3.000 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(C)=O ZINC000012431240 570659733 /nfs/dbraw/zinc/65/97/33/570659733.db2.gz OJPPUOOZXSETBC-IBGZPJMESA-N 1 0 386.536 2.710 50 0 GFAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000033028212 570665752 /nfs/dbraw/zinc/66/57/52/570665752.db2.gz RLWLGKXRQRMDJF-UTKZUKDTSA-N 1 0 382.460 2.788 50 0 GFAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCN1CCCO1 ZINC000012455544 570669249 /nfs/dbraw/zinc/66/92/49/570669249.db2.gz MYCKWYHZBFYVMP-UHFFFAOYSA-N 1 0 377.504 2.566 50 0 GFAARO O=C(CCNC(=O)c1ccccc1F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000055359335 570692287 /nfs/dbraw/zinc/69/22/87/570692287.db2.gz YEVWBKIRTKAKAG-QGZVFWFLSA-N 1 0 375.488 2.813 50 0 GFAARO CCC(=O)Nc1ccc(OCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCC2)cc1 ZINC000055387334 570693928 /nfs/dbraw/zinc/69/39/28/570693928.db2.gz YOMJFZYCAFJZPB-HXUWFJFHSA-N 1 0 396.491 2.762 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3snnc3C)CC2)cc1 ZINC000012705058 570700134 /nfs/dbraw/zinc/70/01/34/570700134.db2.gz PVLFZKGJMXAMHM-UHFFFAOYSA-N 1 0 388.537 2.882 50 0 GFAARO Cc1oc(-c2cccc(C)c2)nc1CN1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000012714327 570703936 /nfs/dbraw/zinc/70/39/36/570703936.db2.gz FTSBIQZUOXICLQ-UHFFFAOYSA-N 1 0 382.508 2.745 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000012718703 570705885 /nfs/dbraw/zinc/70/58/85/570705885.db2.gz MZVRSTRSAFFUQR-HNNXBMFYSA-N 1 0 396.915 2.596 50 0 GFAARO COc1ccc(-n2cc(C[NH2+]C(CO)CO)c(-c3ccccc3Cl)n2)cc1 ZINC000012744396 570707586 /nfs/dbraw/zinc/70/75/86/570707586.db2.gz XYXAJPZOPDROBQ-UHFFFAOYSA-N 1 0 387.867 2.644 50 0 GFAARO CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012786790 570712563 /nfs/dbraw/zinc/71/25/63/570712563.db2.gz OQFQIYSEMINQAA-AUUYWEPGSA-N 1 0 387.480 2.741 50 0 GFAARO COc1cc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000058179460 570716926 /nfs/dbraw/zinc/71/69/26/570716926.db2.gz PQNLAFQHALSLCT-GJZGRUSLSA-N 1 0 379.501 2.577 50 0 GFAARO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(OC)c1OC ZINC000058268104 570723753 /nfs/dbraw/zinc/72/37/53/570723753.db2.gz QLDFWFQMTPGESQ-CABCVRRESA-N 1 0 379.501 2.775 50 0 GFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000058407157 570731510 /nfs/dbraw/zinc/73/15/10/570731510.db2.gz IVCQJPHMEWRPQF-CVEARBPZSA-N 1 0 380.483 2.821 50 0 GFAARO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058406608 570731860 /nfs/dbraw/zinc/73/18/60/570731860.db2.gz WSFUKHIVBRCTJR-QWHCGFSZSA-N 1 0 380.432 2.907 50 0 GFAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013136319 570748384 /nfs/dbraw/zinc/74/83/84/570748384.db2.gz HCVYXPXPOUKNBC-TXEJJXNPSA-N 1 0 377.416 2.531 50 0 GFAARO O=C(NCCc1ccncc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256106 570754819 /nfs/dbraw/zinc/75/48/19/570754819.db2.gz RUQWNPPSSNCSDP-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO COc1ccc(F)cc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065362243 570759748 /nfs/dbraw/zinc/75/97/48/570759748.db2.gz BDTDTQPBVKRGJR-UHFFFAOYSA-N 1 0 378.469 2.561 50 0 GFAARO C[C@@H](C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1)[NH+]1CCN(C)CC1 ZINC000065387790 570764734 /nfs/dbraw/zinc/76/47/34/570764734.db2.gz PYWWAYAXEGRYJV-HNNXBMFYSA-N 1 0 379.932 2.917 50 0 GFAARO COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1OC ZINC000007050253 570764866 /nfs/dbraw/zinc/76/48/66/570764866.db2.gz JMXXAKNVHGREHF-AWEZNQCLSA-N 1 0 387.461 2.929 50 0 GFAARO CCn1c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2n2nccc2c1=O ZINC000065270839 570770720 /nfs/dbraw/zinc/77/07/20/570770720.db2.gz CCHVSPKTZADDDH-UHFFFAOYSA-N 1 0 395.507 2.521 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)c(C)c3)CC2)C1 ZINC000067434234 570779358 /nfs/dbraw/zinc/77/93/58/570779358.db2.gz SLGGNQHMQAUNDY-NRFANRHFSA-N 1 0 387.568 2.742 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)c(C)c3)CC2)C1 ZINC000067434238 570779917 /nfs/dbraw/zinc/77/99/17/570779917.db2.gz SLGGNQHMQAUNDY-OAQYLSRUSA-N 1 0 387.568 2.742 50 0 GFAARO Cc1ccc(CC[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 ZINC000067540398 570781144 /nfs/dbraw/zinc/78/11/44/570781144.db2.gz WHEXGHKSJRPRBC-HXUWFJFHSA-N 1 0 378.419 2.552 50 0 GFAARO O=C1N[C@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067789525 570791118 /nfs/dbraw/zinc/79/11/18/570791118.db2.gz OEGRKTJJCYCYIW-OAQYLSRUSA-N 1 0 398.894 2.768 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)OCCO4)cnn2c1 ZINC000067804396 570792038 /nfs/dbraw/zinc/79/20/38/570792038.db2.gz UXCXTVWQZCHBEI-UHFFFAOYSA-N 1 0 381.436 2.595 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(NC3CC[NH+](C)CC3)nc2)cc1 ZINC000067850085 570794131 /nfs/dbraw/zinc/79/41/31/570794131.db2.gz YVHKTLMUFTZGAN-UHFFFAOYSA-N 1 0 382.508 2.959 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCC(CCO)CC3)C2=O)cc1 ZINC000067856636 570794757 /nfs/dbraw/zinc/79/47/57/570794757.db2.gz DOUOGBSSUAVJQB-QHCPKHFHSA-N 1 0 388.552 2.758 50 0 GFAARO CCCC(=O)N1CCC2(CC1)CN(Cc1ccc(F)c(OC)c1)CC[N@@H+]2C ZINC000067919904 570797235 /nfs/dbraw/zinc/79/72/35/570797235.db2.gz CYHSBIXVZXEDNH-UHFFFAOYSA-N 1 0 377.504 2.743 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3cccc(C)c3)C2=O)c1OC ZINC000067934701 570797436 /nfs/dbraw/zinc/79/74/36/570797436.db2.gz MUOVDFMPBXEWGM-HSZRJFAPSA-N 1 0 398.503 2.656 50 0 GFAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000067935130 570797727 /nfs/dbraw/zinc/79/77/27/570797727.db2.gz FJQLZQOAPNXLSY-UHFFFAOYSA-N 1 0 384.484 2.561 50 0 GFAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1C ZINC000012507681 570823588 /nfs/dbraw/zinc/82/35/88/570823588.db2.gz VCCKWWSGLZMLPZ-SFHVURJKSA-N 1 0 379.420 2.611 50 0 GFAARO O=C(CCC1CC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388775 570832962 /nfs/dbraw/zinc/83/29/62/570832962.db2.gz JHDVAMKMGWTHOR-IBGZPJMESA-N 1 0 398.551 2.591 50 0 GFAARO CC(=O)N1CCC([N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)CC1 ZINC000071415545 570833513 /nfs/dbraw/zinc/83/35/13/570833513.db2.gz FBQXFXTVXVKKNK-NRFANRHFSA-N 1 0 389.515 2.896 50 0 GFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000007366968 570834761 /nfs/dbraw/zinc/83/47/61/570834761.db2.gz ZCMHYFLIXJBSQX-UHFFFAOYSA-N 1 0 376.442 2.634 50 0 GFAARO CCN(Cc1ccncc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071749148 570846376 /nfs/dbraw/zinc/84/63/76/570846376.db2.gz QELZHJGILPCAFA-FQEVSTJZSA-N 1 0 398.551 2.543 50 0 GFAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+]1CCC[C@H](CO)C1 ZINC000071761403 570849631 /nfs/dbraw/zinc/84/96/31/570849631.db2.gz YFZIACIRDZBSBG-SFHVURJKSA-N 1 0 384.524 2.863 50 0 GFAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071765575 570851511 /nfs/dbraw/zinc/85/15/11/570851511.db2.gz HMENXBWBCFVHCZ-IBGZPJMESA-N 1 0 382.508 2.667 50 0 GFAARO COc1nn(C)cc1C(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043991152 570852937 /nfs/dbraw/zinc/85/29/37/570852937.db2.gz KWDZRISJVOXJSG-UHFFFAOYSA-N 1 0 388.537 2.793 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 ZINC000046699548 570855944 /nfs/dbraw/zinc/85/59/44/570855944.db2.gz KVZFGSPNOPATKV-HNAYVOBHSA-N 1 0 387.430 2.737 50 0 GFAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)NCC1CC1 ZINC000072124203 570867128 /nfs/dbraw/zinc/86/71/28/570867128.db2.gz HXNNNPJYHGTOHY-JOCHJYFZSA-N 1 0 391.515 2.535 50 0 GFAARO CSc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000072139195 570869443 /nfs/dbraw/zinc/86/94/43/570869443.db2.gz NKIHSSPRZTVWAG-UHFFFAOYSA-N 1 0 377.535 2.961 50 0 GFAARO COc1ccc([C@@H](CN2C(=O)[C@H]3Cc4ccccc4CN3C2=O)[NH+](C)C)cc1 ZINC000170613694 570870861 /nfs/dbraw/zinc/87/08/61/570870861.db2.gz USOXKHBRWBJRLW-WOJBJXKFSA-N 1 0 379.460 2.687 50 0 GFAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)cc1 ZINC000072157079 570874435 /nfs/dbraw/zinc/87/44/35/570874435.db2.gz OEWSNLRMGPKEBR-HXUWFJFHSA-N 1 0 379.570 2.904 50 0 GFAARO CN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072166074 570876474 /nfs/dbraw/zinc/87/64/74/570876474.db2.gz QXIPLFJGWQHGBG-SFHVURJKSA-N 1 0 375.476 2.662 50 0 GFAARO CCN1CCC(CNC(=O)N(C)[C@H](C)c2ccc(OC)cc2)([NH+](C)C)CC1 ZINC000534576241 570901230 /nfs/dbraw/zinc/90/12/30/570901230.db2.gz UWUKNJRGAXMELT-QGZVFWFLSA-N 1 0 376.545 2.814 50 0 GFAARO C[C@@H]1Cc2cc(CNC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2O1 ZINC000534632592 570910489 /nfs/dbraw/zinc/91/04/89/570910489.db2.gz HMXWEOKECHXEHX-OAHLLOKOSA-N 1 0 375.538 2.733 50 0 GFAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000534652341 570914812 /nfs/dbraw/zinc/91/48/12/570914812.db2.gz KXGCSVIXLCMSKA-GOSISDBHSA-N 1 0 377.876 2.873 50 0 GFAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000105715034 570931713 /nfs/dbraw/zinc/93/17/13/570931713.db2.gz YXEGSHQRRDHKTP-VQIMIIECSA-N 1 0 378.472 2.944 50 0 GFAARO COc1cccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+](C)C)c1 ZINC000052839537 570950232 /nfs/dbraw/zinc/95/02/32/570950232.db2.gz ZBAPPRIODSBPCE-FQEVSTJZSA-N 1 0 381.476 2.855 50 0 GFAARO COc1ccc(C[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000001280434 570953844 /nfs/dbraw/zinc/95/38/44/570953844.db2.gz OSJFQOGIKDNPQW-SJLPKXTDSA-N 1 0 385.460 2.955 50 0 GFAARO Cc1cc(C)c(OC[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C)c1 ZINC000001323442 570958888 /nfs/dbraw/zinc/95/88/88/570958888.db2.gz KWKRIGZKAKCZPZ-XUVXKRRUSA-N 1 0 382.504 2.633 50 0 GFAARO COc1ccc([C@H](CO)N(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000083881705 570975162 /nfs/dbraw/zinc/97/51/62/570975162.db2.gz CWEWMLWVUOLMPT-NRFANRHFSA-N 1 0 398.507 2.644 50 0 GFAARO CCc1ccc(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000252522833 570987118 /nfs/dbraw/zinc/98/71/18/570987118.db2.gz BGMQTVKZDOOAQV-UHFFFAOYSA-N 1 0 382.508 2.540 50 0 GFAARO Cc1cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527949 570988570 /nfs/dbraw/zinc/98/85/70/570988570.db2.gz DUMMDWSZDNAXRD-SJLPKXTDSA-N 1 0 377.492 2.917 50 0 GFAARO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000108455676 570988771 /nfs/dbraw/zinc/98/87/71/570988771.db2.gz BZHZTMHKFVBXPI-JRGCBEDISA-N 1 0 379.504 2.945 50 0 GFAARO CC[C@H](C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(-c2cccnc2)c[nH]1)[NH+](CC)CC ZINC000170682998 571010759 /nfs/dbraw/zinc/01/07/59/571010759.db2.gz SAISANLBZVYLDZ-QXAKKESOSA-N 1 0 385.512 2.881 50 0 GFAARO CN(Cc1nc2ncccn2n1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095523472 571089187 /nfs/dbraw/zinc/08/91/87/571089187.db2.gz NCQNYNJNUWCELB-QGZVFWFLSA-N 1 0 382.487 2.650 50 0 GFAARO C[NH+](C)CCCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000003041283 654439301 /nfs/dbraw/zinc/43/93/01/654439301.db2.gz SZYJBOQAJZUYEE-UHFFFAOYSA-N 1 0 382.291 2.885 50 0 GFAARO CC[C@](O)(C[NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000888094221 663178063 /nfs/dbraw/zinc/17/80/63/663178063.db2.gz XNPSZMFPVXVPFR-OALUTQOASA-N 1 0 397.357 2.890 50 0 GFAARO CCS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CC[NH2+]C[C@H]3C)c2)s1 ZINC000426443042 231221973 /nfs/dbraw/zinc/22/19/73/231221973.db2.gz RXLDNQPHLKQIOO-CYBMUJFWSA-N 1 0 378.519 2.643 50 0 GFAARO Cc1cccc(N2CCC(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000426488425 231227180 /nfs/dbraw/zinc/22/71/80/231227180.db2.gz WFIRYZVIFDCULI-UHFFFAOYSA-N 1 0 379.508 2.891 50 0 GFAARO Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccn2)cc1OCC[NH3+] ZINC000426490743 231228528 /nfs/dbraw/zinc/22/85/28/231228528.db2.gz RMIDBZJHGLGZSW-NRFANRHFSA-N 1 0 376.460 2.774 50 0 GFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Nc2cccc(CC(N)=O)c2)C1 ZINC000426490312 231228892 /nfs/dbraw/zinc/22/88/92/231228892.db2.gz NCCGETVNGNSYGF-SFHVURJKSA-N 1 0 380.492 2.634 50 0 GFAARO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000426510322 231232159 /nfs/dbraw/zinc/23/21/59/231232159.db2.gz YSMJVOJZRVFAJV-GOSISDBHSA-N 1 0 389.544 2.724 50 0 GFAARO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O)NC1CC1 ZINC000426668505 231250913 /nfs/dbraw/zinc/25/09/13/231250913.db2.gz XBZNEBIAYBVIMA-JOCHJYFZSA-N 1 0 375.557 2.940 50 0 GFAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1cccnc1 ZINC000019200297 210229599 /nfs/dbraw/zinc/22/95/99/210229599.db2.gz KQYPDPMMMFMJOQ-UHFFFAOYSA-N 1 0 391.899 2.744 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773847 210168717 /nfs/dbraw/zinc/16/87/17/210168717.db2.gz IONKGVYBIRWNBH-NRFANRHFSA-N 1 0 377.488 2.860 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677607 210162550 /nfs/dbraw/zinc/16/25/50/210162550.db2.gz YIUXFQFNXQQSFF-MRXNPFEDSA-N 1 0 382.508 2.727 50 0 GFAARO COc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)ccc1F ZINC000015074783 210149851 /nfs/dbraw/zinc/14/98/51/210149851.db2.gz XQHIILYAFGYIGV-KRWDZBQOSA-N 1 0 377.504 2.601 50 0 GFAARO COCCn1c2ccc(C)cc2cc(C[NH2+]C[C@H]2COc3ccccc3O2)c1=O ZINC000015070970 210147829 /nfs/dbraw/zinc/14/78/29/210147829.db2.gz URMOQSPXTXWNGF-IBGZPJMESA-N 1 0 394.471 2.886 50 0 GFAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]C1Cc2ccccc2C1 ZINC000014977884 210138445 /nfs/dbraw/zinc/13/84/45/210138445.db2.gz KBKQNAHDAHDOLN-JOCHJYFZSA-N 1 0 386.442 2.575 50 0 GFAARO COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000014950745 210131708 /nfs/dbraw/zinc/13/17/08/210131708.db2.gz NIBSOJAHYLSHMH-NRFANRHFSA-N 1 0 376.472 2.984 50 0 GFAARO CC(C)CC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014752375 210127889 /nfs/dbraw/zinc/12/78/89/210127889.db2.gz UVCMJWDQORLHOU-QGZVFWFLSA-N 1 0 376.545 2.505 50 0 GFAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014753815 210126715 /nfs/dbraw/zinc/12/67/15/210126715.db2.gz KCVHTCAEAGDBFH-GOSISDBHSA-N 1 0 386.540 2.713 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014536918 210120051 /nfs/dbraw/zinc/12/00/51/210120051.db2.gz HSXGRYDWRTXMSZ-HNNXBMFYSA-N 1 0 388.537 2.641 50 0 GFAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014536961 210119779 /nfs/dbraw/zinc/11/97/79/210119779.db2.gz WAWDOSPTQSSIPK-UHFFFAOYSA-N 1 0 382.464 2.536 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014533566 210118781 /nfs/dbraw/zinc/11/87/81/210118781.db2.gz BYUABPJYFBKVMB-KRWDZBQOSA-N 1 0 384.549 2.739 50 0 GFAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000014092995 210101536 /nfs/dbraw/zinc/10/15/36/210101536.db2.gz VFRKFSZDKXJOQG-UHFFFAOYSA-N 1 0 398.488 2.909 50 0 GFAARO Cc1ccc(CCC2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1 ZINC000012983901 210040800 /nfs/dbraw/zinc/04/08/00/210040800.db2.gz JCJMAYTUMFZBMC-UHFFFAOYSA-N 1 0 398.551 2.613 50 0 GFAARO CC[NH+]1CCC(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 ZINC000012887095 210022028 /nfs/dbraw/zinc/02/20/28/210022028.db2.gz NQZGGIOBZNWVCE-UHFFFAOYSA-N 1 0 396.516 2.726 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2=O)c1 ZINC000012432859 209955593 /nfs/dbraw/zinc/95/55/93/209955593.db2.gz BORWMLURWLKAGM-OAQYLSRUSA-N 1 0 376.472 2.828 50 0 GFAARO COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC[NH+](C)C)ccc32)cc1 ZINC000009418804 209828589 /nfs/dbraw/zinc/82/85/89/209828589.db2.gz WFDCFTKHMNUBKJ-UHFFFAOYSA-N 1 0 396.443 2.525 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@@H](C)C4 ZINC000002326282 209357847 /nfs/dbraw/zinc/35/78/47/209357847.db2.gz WLLCJQTTWZNJNR-GFCCVEGCSA-N 1 0 386.525 2.535 50 0 GFAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccon1 ZINC000010333966 209331299 /nfs/dbraw/zinc/33/12/99/209331299.db2.gz BWSBIPYPWOGIEH-SFHVURJKSA-N 1 0 378.432 2.720 50 0 GFAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902140 209277752 /nfs/dbraw/zinc/27/77/52/209277752.db2.gz DCFANXBOWHBWJM-UHFFFAOYSA-N 1 0 379.526 2.676 50 0 GFAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000000795466 209265216 /nfs/dbraw/zinc/26/52/16/209265216.db2.gz TZWCZKDDAQNJEK-UHFFFAOYSA-N 1 0 383.492 2.670 50 0 GFAARO COC(=O)c1cn([C@H](C[NH+]2CCCCC2)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000263587168 209224842 /nfs/dbraw/zinc/22/48/42/209224842.db2.gz CYTOMGPVIUGLOQ-GOSISDBHSA-N 1 0 380.448 2.538 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2Br)on1 ZINC000125327932 212057815 /nfs/dbraw/zinc/05/78/15/212057815.db2.gz VXROIPMLSSDKJP-GFCCVEGCSA-N 1 0 394.269 2.758 50 0 GFAARO CCOc1ccc2nc(N3CCC([NH2+]Cc4nccn4C)CC3)nc(C)c2c1 ZINC000299776014 212035577 /nfs/dbraw/zinc/03/55/77/212035577.db2.gz JVZOLYLRSARQHY-UHFFFAOYSA-N 1 0 380.496 2.829 50 0 GFAARO CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CC[NH+](C)CC2 ZINC000299760528 212033318 /nfs/dbraw/zinc/03/33/18/212033318.db2.gz VUWUMGMSCBWMGG-YADHBBJMSA-N 1 0 380.488 2.915 50 0 GFAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2ccccc2n1 ZINC000023106639 211784374 /nfs/dbraw/zinc/78/43/74/211784374.db2.gz OIZMKRHDHIZBSX-KRWDZBQOSA-N 1 0 382.489 2.962 50 0 GFAARO C[NH+](C)CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579417 211701237 /nfs/dbraw/zinc/70/12/37/211701237.db2.gz YXRVBADBSCXKSO-ZHZULCJRSA-N 1 0 376.460 2.617 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004374404 211542690 /nfs/dbraw/zinc/54/26/90/211542690.db2.gz UITARRRUYPCPDC-INIZCTEOSA-N 1 0 378.904 2.621 50 0 GFAARO COc1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc(OC)c1 ZINC000096794709 211347294 /nfs/dbraw/zinc/34/72/94/211347294.db2.gz WMRCBGJMSHWMIY-QGZVFWFLSA-N 1 0 376.522 2.834 50 0 GFAARO Cc1cc2c(cc1NC(=O)N1CC[NH+](C3CCCCC3)CC1)n(C)c(=O)n2C ZINC000096137717 211307301 /nfs/dbraw/zinc/30/73/01/211307301.db2.gz RJWHXSZZPRMERI-UHFFFAOYSA-N 1 0 385.512 2.668 50 0 GFAARO COc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)cc1 ZINC000096137604 211306912 /nfs/dbraw/zinc/30/69/12/211306912.db2.gz BHOUZGYJUQJZHV-UHFFFAOYSA-N 1 0 380.496 2.757 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CSc1ccncc1)CC2 ZINC000096136702 211306592 /nfs/dbraw/zinc/30/65/92/211306592.db2.gz PQLGAOFOXCUVEP-UHFFFAOYSA-N 1 0 385.537 2.683 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(CC(C)C)no1)CC2 ZINC000096135987 211305599 /nfs/dbraw/zinc/30/55/99/211305599.db2.gz HSFBSRAXKWVGIY-UHFFFAOYSA-N 1 0 385.512 2.996 50 0 GFAARO CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC[NH2+]1 ZINC000095525294 211271032 /nfs/dbraw/zinc/27/10/32/211271032.db2.gz GMYJURCHRZXDFB-IBGZPJMESA-N 1 0 380.492 2.875 50 0 GFAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095522330 211267980 /nfs/dbraw/zinc/26/79/80/211267980.db2.gz HEYXGIQFSNEXDJ-OAHLLOKOSA-N 1 0 375.494 2.559 50 0 GFAARO O=C(CCC[NH+]1CCCC1)N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000095497251 211250838 /nfs/dbraw/zinc/25/08/38/211250838.db2.gz VFRRGCXFKJYNCH-UHFFFAOYSA-N 1 0 381.524 2.908 50 0 GFAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4c(s3)c(C)nn4C)CC2)C1 ZINC000095511483 211262559 /nfs/dbraw/zinc/26/25/59/211262559.db2.gz JTXPVJWQWLSQHQ-CQSZACIVSA-N 1 0 391.541 2.582 50 0 GFAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095506452 211257546 /nfs/dbraw/zinc/25/75/46/211257546.db2.gz WVZRYGUNTSIAMU-NSCUHMNNSA-N 1 0 398.482 2.584 50 0 GFAARO COc1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095505917 211256941 /nfs/dbraw/zinc/25/69/41/211256941.db2.gz KVBFPYXGZLCGDQ-UHFFFAOYSA-N 1 0 398.507 2.868 50 0 GFAARO O[C@H](COc1ccc(Cl)cc1CN1CCC(O)CC1)C[NH+]1CCCCCC1 ZINC000095501987 211256108 /nfs/dbraw/zinc/25/61/08/211256108.db2.gz SLRIVZGYBYXRCB-FQEVSTJZSA-N 1 0 396.959 2.912 50 0 GFAARO Cc1c(CC(=O)N2CC[NH2+][C@H](C)C2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095503017 211255806 /nfs/dbraw/zinc/25/58/06/211255806.db2.gz LJNCRBKFPICELB-MRXNPFEDSA-N 1 0 379.504 2.727 50 0 GFAARO COc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095501876 211255269 /nfs/dbraw/zinc/25/52/69/211255269.db2.gz NEBRDXQVHNPDDS-SUMWQHHRSA-N 1 0 375.469 2.914 50 0 GFAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](CCOCc1ccccc1)CC2 ZINC000095499919 211253704 /nfs/dbraw/zinc/25/37/04/211253704.db2.gz GBNVMWQCTHCXDT-UHFFFAOYSA-N 1 0 394.519 2.712 50 0 GFAARO CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095390349 211237214 /nfs/dbraw/zinc/23/72/14/211237214.db2.gz DMNJZSDRGCUEMG-WMLDXEAASA-N 1 0 382.533 2.804 50 0 GFAARO CSc1nccc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095392102 211237306 /nfs/dbraw/zinc/23/73/06/211237306.db2.gz OISMHWGCRIPMHB-CWFSZBLJSA-N 1 0 396.516 2.994 50 0 GFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000095388892 211237074 /nfs/dbraw/zinc/23/70/74/211237074.db2.gz WMVZIDFZBCYWJN-KRWDZBQOSA-N 1 0 379.508 2.875 50 0 GFAARO CN(Cc1nc(-c2cccnc2)no1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000095459787 211243755 /nfs/dbraw/zinc/24/37/55/211243755.db2.gz JJDQAKCITPGKBP-UHFFFAOYSA-N 1 0 378.480 2.666 50 0 GFAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000095358878 211222971 /nfs/dbraw/zinc/22/29/71/211222971.db2.gz AHUACIWHRISORN-NRFANRHFSA-N 1 0 379.504 2.817 50 0 GFAARO O=C(CCc1ccncc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095354498 211222233 /nfs/dbraw/zinc/22/22/33/211222233.db2.gz YOYJCISUFMUHDR-MDNUFGMLSA-N 1 0 377.488 2.809 50 0 GFAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnn3ccccc13)C2 ZINC000095379480 211232607 /nfs/dbraw/zinc/23/26/07/211232607.db2.gz JGPDVATWLFLNHR-DLBZAZTESA-N 1 0 379.464 2.676 50 0 GFAARO O=C(NCCNC(=O)c1ccccc1Cl)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095379697 211231710 /nfs/dbraw/zinc/23/17/10/211231710.db2.gz BFTHZRGLTKKVEV-QGZVFWFLSA-N 1 0 385.895 2.967 50 0 GFAARO NC(=O)c1ccc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095377286 211228853 /nfs/dbraw/zinc/22/88/53/211228853.db2.gz PMRLCMJPBHRRLG-MISYRCLQSA-N 1 0 384.430 2.525 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-n3cccn3)ccc1Cl)C2 ZINC000095371795 211228288 /nfs/dbraw/zinc/22/82/88/211228288.db2.gz BNDQMZAJDXDRNL-NVXWUHKLSA-N 1 0 388.899 2.709 50 0 GFAARO O=C1CCC2(CC[NH+](CCn3cnc4ccccc43)CC2)CN1C[C@H]1CCCO1 ZINC000095370814 211228137 /nfs/dbraw/zinc/22/81/37/211228137.db2.gz MJUDNDGYVRFUJU-LJQANCHMSA-N 1 0 396.535 2.920 50 0 GFAARO CN(C)c1ccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)cc1 ZINC000095366146 211225648 /nfs/dbraw/zinc/22/56/48/211225648.db2.gz IPVUSGQUHVULHV-UHFFFAOYSA-N 1 0 383.540 2.921 50 0 GFAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CCC(=O)N(CCCOC)C2)CC1 ZINC000091974387 211212628 /nfs/dbraw/zinc/21/26/28/211212628.db2.gz UWSHOPYEUFIMAV-UHFFFAOYSA-N 1 0 396.963 2.877 50 0 GFAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000092098235 211216729 /nfs/dbraw/zinc/21/67/29/211216729.db2.gz WTJNPRGURYCFOF-QZTJIDSGSA-N 1 0 388.483 2.848 50 0 GFAARO Cn1c2ccccc2cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1=O ZINC000091808617 211208216 /nfs/dbraw/zinc/20/82/16/211208216.db2.gz KWBDPAZKVOMFJW-HSZRJFAPSA-N 1 0 379.504 2.763 50 0 GFAARO CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091737427 211206520 /nfs/dbraw/zinc/20/65/20/211206520.db2.gz KSHFWMSQMAWTKW-CQSZACIVSA-N 1 0 387.436 2.587 50 0 GFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)C1 ZINC000091746346 211205257 /nfs/dbraw/zinc/20/52/57/211205257.db2.gz STVNSLMVYWJXFC-YSDNAHFUSA-N 1 0 381.520 2.668 50 0 GFAARO CCc1[nH]nc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1C ZINC000091756343 211205354 /nfs/dbraw/zinc/20/53/54/211205354.db2.gz QGHSTSXAMBJEKE-UHFFFAOYSA-N 1 0 384.528 2.945 50 0 GFAARO CN(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)cn1 ZINC000091780186 211204872 /nfs/dbraw/zinc/20/48/72/211204872.db2.gz YKYUJDMPEGOTFP-UHFFFAOYSA-N 1 0 393.535 2.947 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000091441403 211191790 /nfs/dbraw/zinc/19/17/90/211191790.db2.gz OAGDOLHRHSYBMO-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nn1-c1ccc(F)cc1 ZINC000089718063 211183139 /nfs/dbraw/zinc/18/31/39/211183139.db2.gz YFIJUFWETLVVKV-RTBURBONSA-N 1 0 379.439 2.890 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(c2ccnc3c(C)cc(Cl)cc23)C[C@@H]1CO ZINC000091460254 211192559 /nfs/dbraw/zinc/19/25/59/211192559.db2.gz LMFLUIBUMUUFFX-HZPDHXFCSA-N 1 0 377.916 2.820 50 0 GFAARO CCc1ccc(OCC(=O)N(C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)cc1 ZINC000089286329 211180198 /nfs/dbraw/zinc/18/01/98/211180198.db2.gz VASOBULRMXMNSK-QFIPXVFZSA-N 1 0 396.531 2.548 50 0 GFAARO CC(C)n1nnc(-c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)n1 ZINC000085877044 211177910 /nfs/dbraw/zinc/17/79/10/211177910.db2.gz STNZFIIMNWEGQU-RBUKOAKNSA-N 1 0 382.512 2.915 50 0 GFAARO O=C(Nc1ccc(F)cc1F)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000078954209 211151121 /nfs/dbraw/zinc/15/11/21/211151121.db2.gz CNQXGNJBYGZNMX-DNVCBOLYSA-N 1 0 375.419 2.969 50 0 GFAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1 ZINC000077191606 211127833 /nfs/dbraw/zinc/12/78/33/211127833.db2.gz FWKOJXFMAFUIDU-IBGZPJMESA-N 1 0 380.916 2.864 50 0 GFAARO Cc1cc(=O)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c[nH]1 ZINC000072160933 211077856 /nfs/dbraw/zinc/07/78/56/211077856.db2.gz QMBFLBYNKWGGCN-JOCHJYFZSA-N 1 0 383.467 2.951 50 0 GFAARO Cc1nnc(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]1 ZINC000072141792 211073581 /nfs/dbraw/zinc/07/35/81/211073581.db2.gz DJKZALDHJAEYDR-IBGZPJMESA-N 1 0 387.503 2.944 50 0 GFAARO CCO[C@H]1[C@H](NC(=O)c2cnn(C(C)C)c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072120654 211072116 /nfs/dbraw/zinc/07/21/16/211072116.db2.gz ZNFBVZMQHYABTM-UXHICEINSA-N 1 0 382.508 2.975 50 0 GFAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3cccc(F)c3)[nH+]c(C)n2)c1C ZINC000072117771 211069428 /nfs/dbraw/zinc/06/94/28/211069428.db2.gz LCKQURSVVCZNKK-UHFFFAOYSA-N 1 0 383.431 2.960 50 0 GFAARO CS(=O)(=O)c1cnc(COc2cccc(Cl)c2)nc1[C@H]1CCC[NH2+]C1 ZINC000071770894 211061609 /nfs/dbraw/zinc/06/16/09/211061609.db2.gz RXXZUHDQECAEML-LBPRGKRZSA-N 1 0 381.885 2.580 50 0 GFAARO Cc1ccc2nc(Cn3nc([C@H]4CCC[NH2+]C4)n(-c4ccccc4)c3=O)cn2c1 ZINC000071765569 211059682 /nfs/dbraw/zinc/05/96/82/211059682.db2.gz DQQSBADTOHSUOK-KRWDZBQOSA-N 1 0 388.475 2.505 50 0 GFAARO OC1CC[NH+]([C@@H]2CCN(c3ccnc4c3cccc4C(F)(F)F)C[C@H]2O)CC1 ZINC000071755045 211058453 /nfs/dbraw/zinc/05/84/53/211058453.db2.gz LROMJZDCTPIBKF-QZTJIDSGSA-N 1 0 395.425 2.650 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)NCC[NH+]2CCCC2)(Cc2ccccc2)C1=O ZINC000071751407 211055680 /nfs/dbraw/zinc/05/56/80/211055680.db2.gz SBSATKFFYYNWPI-DEOSSOPVSA-N 1 0 391.515 2.746 50 0 GFAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)on1 ZINC000071388540 211046606 /nfs/dbraw/zinc/04/66/06/211046606.db2.gz LOAQTZBRMKOBNL-HXUWFJFHSA-N 1 0 396.535 2.976 50 0 GFAARO CC[C@@H](C)[C@H]([NH2+]C)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 ZINC000071388597 211046415 /nfs/dbraw/zinc/04/64/15/211046415.db2.gz LNZGEQLJWSFOAX-BEFAXECRSA-N 1 0 381.524 2.728 50 0 GFAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000090608953 211037441 /nfs/dbraw/zinc/03/74/41/211037441.db2.gz XNIFDJSMPOKNCL-GFCCVEGCSA-N 1 0 398.472 2.643 50 0 GFAARO Cc1csc2nc(C[N@@H+]3CCCN(c4nc5ccccc5[nH]4)CC3)cc(=O)n12 ZINC000068453527 211033877 /nfs/dbraw/zinc/03/38/77/211033877.db2.gz WBOANFLFQVWHNB-UHFFFAOYSA-N 1 0 394.504 2.653 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CC3CCCCC3)C2=O)c1OC ZINC000067852255 211024163 /nfs/dbraw/zinc/02/41/63/211024163.db2.gz IXXKYMLYKBEDEG-JOCHJYFZSA-N 1 0 390.524 2.727 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3C)CC2)C1 ZINC000067840637 211025195 /nfs/dbraw/zinc/02/51/95/211025195.db2.gz RLLFOSFNPIDWSM-IBGZPJMESA-N 1 0 391.531 2.573 50 0 GFAARO CC(C)(C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1)N1CCOCC1 ZINC000067758811 211021553 /nfs/dbraw/zinc/02/15/53/211021553.db2.gz PARHUBPCCGSPAW-QHCPKHFHSA-N 1 0 391.600 2.992 50 0 GFAARO CC[NH+](CC)CC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 ZINC000049076454 210858858 /nfs/dbraw/zinc/85/88/58/210858858.db2.gz CHADORFVNNDITH-UHFFFAOYSA-N 1 0 384.524 2.675 50 0 GFAARO CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCCC[NH+](C)C)cc21 ZINC000034836220 210668003 /nfs/dbraw/zinc/66/80/03/210668003.db2.gz MXVGQJWYUWXBFI-UHFFFAOYSA-N 1 0 387.524 2.982 50 0 GFAARO COCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3ccccc3OC)CC2)C1 ZINC000426515540 532974673 /nfs/dbraw/zinc/97/46/73/532974673.db2.gz NZSUHOKVRYJLPW-KRWDZBQOSA-N 1 0 375.513 2.553 50 0 GFAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2O)CC1 ZINC000020994817 210372442 /nfs/dbraw/zinc/37/24/42/210372442.db2.gz IIJYGADKSYLKJS-WOJBJXKFSA-N 1 0 389.927 2.783 50 0 GFAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+][C@H]1CCOC1 ZINC000020136770 210318191 /nfs/dbraw/zinc/31/81/91/210318191.db2.gz HNJWANYCJATMBX-INIZCTEOSA-N 1 0 384.505 2.589 50 0 GFAARO CCOc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)c1 ZINC000020064521 210315173 /nfs/dbraw/zinc/31/51/73/210315173.db2.gz VPRFEWSVPBFQLK-GOSISDBHSA-N 1 0 398.459 2.567 50 0 GFAARO Cc1cccc(CN2CCC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000019773507 210295880 /nfs/dbraw/zinc/29/58/80/210295880.db2.gz QBVYLUBEXKSTTC-XMMPIXPASA-N 1 0 393.531 2.671 50 0 GFAARO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)c1 ZINC000053506373 132441005 /nfs/dbraw/zinc/44/10/05/132441005.db2.gz YKSCHUMLQPGXRK-FQEVSTJZSA-N 1 0 393.535 2.782 50 0 GFAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC000058160494 136154626 /nfs/dbraw/zinc/15/46/26/136154626.db2.gz YVQXSRXGBHJFQV-UHFFFAOYSA-N 1 0 388.471 2.949 50 0 GFAARO CCCCN(CC)C(=O)c1cc(NC(=O)CC(C)C)cnc1N1CC[NH2+]CC1 ZINC000065025386 136158912 /nfs/dbraw/zinc/15/89/12/136158912.db2.gz WLVHPPHRXRYKOZ-UHFFFAOYSA-N 1 0 389.544 2.738 50 0 GFAARO COc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000072446883 136170894 /nfs/dbraw/zinc/17/08/94/136170894.db2.gz NIHUSIDKVOFXKA-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO CCCCOc1ccc(C(=O)N2CCN(c3cn[nH+]c(N(C)C)c3)CC2)cc1 ZINC000096098687 136183748 /nfs/dbraw/zinc/18/37/48/136183748.db2.gz ZNSRHVCPXLXBAC-UHFFFAOYSA-N 1 0 383.496 2.684 50 0 GFAARO CCNC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000097082152 136188133 /nfs/dbraw/zinc/18/81/33/136188133.db2.gz SZXNLQLCAGOFAT-INIZCTEOSA-N 1 0 378.904 2.619 50 0 GFAARO Cc1cc(C)nc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000170613671 136198992 /nfs/dbraw/zinc/19/89/92/136198992.db2.gz NFDKTFHFPOGECM-PMACEKPBSA-N 1 0 385.556 2.691 50 0 GFAARO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000171863532 136199327 /nfs/dbraw/zinc/19/93/27/136199327.db2.gz IUZMFSRDTYNLKN-HXUWFJFHSA-N 1 0 379.504 2.709 50 0 GFAARO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1 ZINC000215810165 136203062 /nfs/dbraw/zinc/20/30/62/136203062.db2.gz YDWHVGJARITTFJ-IBGZPJMESA-N 1 0 379.508 2.667 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)C[NH+](C)C)csc2C1 ZINC000426489657 534363584 /nfs/dbraw/zinc/36/35/84/534363584.db2.gz PABKTEHQPOCSPZ-LBPRGKRZSA-N 1 0 376.526 2.591 50 0 GFAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3c(F)ccc(OC)c3F)cc2C1 ZINC000082106256 519855223 /nfs/dbraw/zinc/85/52/23/519855223.db2.gz AJJQPBCELBPXKJ-UHFFFAOYSA-N 1 0 378.423 2.716 50 0 GFAARO CC(C)c1noc([C@@H](C)NC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000426677767 528509174 /nfs/dbraw/zinc/50/91/74/528509174.db2.gz AZFQHHDZYRSHSI-OAHLLOKOSA-N 1 0 383.496 2.749 50 0 GFAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426649767 528797652 /nfs/dbraw/zinc/79/76/52/528797652.db2.gz VLNPJXPNCKCENC-QHCPKHFHSA-N 1 0 385.552 2.801 50 0 GFAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000102305592 535507084 /nfs/dbraw/zinc/50/70/84/535507084.db2.gz LKONWIZKSLOGPD-KNTRCKAVSA-N 1 0 378.476 2.931 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023766 535537320 /nfs/dbraw/zinc/53/73/20/535537320.db2.gz BEAHUKCNKGHQAN-LJQANCHMSA-N 1 0 381.524 2.818 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 ZINC000021960205 535605954 /nfs/dbraw/zinc/60/59/54/535605954.db2.gz CPPSMQYQQOCWIF-JOCHJYFZSA-N 1 0 395.503 2.959 50 0 GFAARO COc1cccc(N2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000057750835 537122825 /nfs/dbraw/zinc/12/28/25/537122825.db2.gz WWSKPWNVXNIOTO-UHFFFAOYSA-N 1 0 379.460 2.504 50 0 GFAARO CC1(C)CC(NC(=O)CN2C(=S)N=NC2c2cccs2)CC(C)(C)[NH2+]1 ZINC000025139160 551120038 /nfs/dbraw/zinc/12/00/38/551120038.db2.gz KNLGDUMCWXTIQM-UHFFFAOYSA-N 1 0 379.555 2.721 50 0 GFAARO Cc1csc(-c2cc(S(=O)(=O)NCCC[NH+]3CCCC3)c(C)n2C)n1 ZINC000065009084 551185259 /nfs/dbraw/zinc/18/52/59/551185259.db2.gz VOTHFOOBXZORJJ-UHFFFAOYSA-N 1 0 382.555 2.530 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237492595 553078464 /nfs/dbraw/zinc/07/84/64/553078464.db2.gz LNDIEROBRWMQJU-SCRDCRAPSA-N 1 0 384.307 2.932 50 0 GFAARO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000048278631 570230451 /nfs/dbraw/zinc/23/04/51/570230451.db2.gz AVABFXHEDCQOMK-INIZCTEOSA-N 1 0 397.541 2.539 50 0 GFAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H](O)C[NH+]1CCCCC1 ZINC000048285669 570231132 /nfs/dbraw/zinc/23/11/32/570231132.db2.gz QELPCAXCKXLHPS-SFHVURJKSA-N 1 0 394.922 2.969 50 0 GFAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000048332586 570237275 /nfs/dbraw/zinc/23/72/75/570237275.db2.gz BOGVQDSQNRPPFX-LJQANCHMSA-N 1 0 388.489 2.589 50 0 GFAARO Cc1ccc2cc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)c(C)nc2c1 ZINC000048367700 570247092 /nfs/dbraw/zinc/24/70/92/570247092.db2.gz SGKZRMMIIHCOJW-UHFFFAOYSA-N 1 0 389.503 2.928 50 0 GFAARO O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000049026148 570259578 /nfs/dbraw/zinc/25/95/78/570259578.db2.gz BMXBEOFLTURQKM-UHFFFAOYSA-N 1 0 388.487 2.545 50 0 GFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000049132975 570262389 /nfs/dbraw/zinc/26/23/89/570262389.db2.gz NVFIZVXCJUTKPA-IBGZPJMESA-N 1 0 378.520 2.870 50 0 GFAARO Cc1cnc2c(Cl)c(C(=O)N[C@H](C)C[N@@H+]3CCc4ccccc4C3)nn2c1 ZINC000216348777 570299314 /nfs/dbraw/zinc/29/93/14/570299314.db2.gz RYHVTEQVZGEJJA-CQSZACIVSA-N 1 0 383.883 2.868 50 0 GFAARO Cc1oc(-c2ccccc2F)nc1CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000108036400 570311741 /nfs/dbraw/zinc/31/17/41/570311741.db2.gz LSYZAJKGVAXEEN-OAQYLSRUSA-N 1 0 386.471 2.575 50 0 GFAARO CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NC(C)(C)C)CC[NH+](C)CC1 ZINC000575443552 570314517 /nfs/dbraw/zinc/31/45/17/570314517.db2.gz CGAZVHANOZOPOG-UHFFFAOYSA-N 1 0 398.551 2.938 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000237322590 570345664 /nfs/dbraw/zinc/34/56/64/570345664.db2.gz SVQLGWAOYQQZBA-OAHLLOKOSA-N 1 0 398.956 2.885 50 0 GFAARO C[N@H+](CC(C)(C)CN1CCOCC1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000023372835 570357804 /nfs/dbraw/zinc/35/78/04/570357804.db2.gz UBGSCDBDPNCBJV-JOCHJYFZSA-N 1 0 385.596 2.908 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc2c(c1)CCO2 ZINC000090607279 570383475 /nfs/dbraw/zinc/38/34/75/570383475.db2.gz IWBFZILQKIVKIM-QGZVFWFLSA-N 1 0 387.867 2.633 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000035511769 570388629 /nfs/dbraw/zinc/38/86/29/570388629.db2.gz OBERDGUGHOCJIC-UHFFFAOYSA-N 1 0 379.508 2.960 50 0 GFAARO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H]1Cc1ccccc1)[nH]c2=O ZINC000025440388 570413583 /nfs/dbraw/zinc/41/35/83/570413583.db2.gz FOKKSRMZOVAXIS-KRWDZBQOSA-N 1 0 377.444 2.917 50 0 GFAARO CC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000026757639 570428371 /nfs/dbraw/zinc/42/83/71/570428371.db2.gz PBTZMHQNXUIPDD-QFIPXVFZSA-N 1 0 382.504 2.755 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 ZINC000006669682 570487006 /nfs/dbraw/zinc/48/70/06/570487006.db2.gz ACWYBBFFTQMMFX-HXUWFJFHSA-N 1 0 377.444 2.949 50 0 GFAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1 ZINC000006835141 570496578 /nfs/dbraw/zinc/49/65/78/570496578.db2.gz UEDXMVFTNSLPMF-QGZVFWFLSA-N 1 0 393.915 2.519 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 ZINC000006608403 570499924 /nfs/dbraw/zinc/49/99/24/570499924.db2.gz PLJCMWSNOUYVMQ-UHFFFAOYSA-N 1 0 391.475 2.954 50 0 GFAARO COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005252393 570529498 /nfs/dbraw/zinc/52/94/98/570529498.db2.gz GSCVOSHMDBMCMY-NRFANRHFSA-N 1 0 395.503 2.735 50 0 GFAARO Cc1nn(-c2cccc(C(=O)NCC[NH+]3CCCC3)c2)cc1NC(=O)C(C)C ZINC000064757043 570535048 /nfs/dbraw/zinc/53/50/48/570535048.db2.gz VAHYDQVLHASHFM-UHFFFAOYSA-N 1 0 383.496 2.601 50 0 GFAARO Cc1nc2cc(C(=O)NCC[NH+]3CCCC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859408 570568586 /nfs/dbraw/zinc/56/85/86/570568586.db2.gz RUNGEFHAULSDGX-UHFFFAOYSA-N 1 0 390.487 2.579 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)C1 ZINC000006750679 570569131 /nfs/dbraw/zinc/56/91/31/570569131.db2.gz NKFYTCKZMLBWQW-HDICACEKSA-N 1 0 394.519 2.738 50 0 GFAARO CCSc1nccnc1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000225484293 570578948 /nfs/dbraw/zinc/57/89/48/570578948.db2.gz HXEGMXAVCLWLPK-UHFFFAOYSA-N 1 0 399.564 2.656 50 0 GFAARO C[C@H](Cc1ccc(O)cc1)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000011700893 570580144 /nfs/dbraw/zinc/58/01/44/570580144.db2.gz XDQZGQMYGVGZHD-QGZVFWFLSA-N 1 0 385.552 2.778 50 0 GFAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(Cn2cnnn2)cc1 ZINC000011813458 570583365 /nfs/dbraw/zinc/58/33/65/570583365.db2.gz CXCWYZXUFVETCS-LJQANCHMSA-N 1 0 382.512 2.638 50 0 GFAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(Cn2cnnn2)cc1 ZINC000011813459 570583418 /nfs/dbraw/zinc/58/34/18/570583418.db2.gz CXCWYZXUFVETCS-IBGZPJMESA-N 1 0 382.512 2.638 50 0 GFAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 ZINC000011872522 570588722 /nfs/dbraw/zinc/58/87/22/570588722.db2.gz UFPGFICHHDUOHV-SFHVURJKSA-N 1 0 396.539 2.844 50 0 GFAARO c1ccc(CCc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)OCCO4)CC3)cc1 ZINC000011909611 570592375 /nfs/dbraw/zinc/59/23/75/570592375.db2.gz PDECJAMEJRQHAY-UHFFFAOYSA-N 1 0 390.487 2.893 50 0 GFAARO Cc1c(C(=O)NCC[C@H](C)[NH+]2CCCC2)cccc1-n1nnc2cccnc21 ZINC000064925861 570594765 /nfs/dbraw/zinc/59/47/65/570594765.db2.gz KSRRXLKIVBUAIP-HNNXBMFYSA-N 1 0 378.480 2.728 50 0 GFAARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1 ZINC000225680772 570602416 /nfs/dbraw/zinc/60/24/16/570602416.db2.gz SUFNZSBFNQAHBB-CHWSQXEVSA-N 1 0 388.434 2.690 50 0 GFAARO O=C(CCN1CCCO1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012058504 570603401 /nfs/dbraw/zinc/60/34/01/570603401.db2.gz YUAMNLUDVQLANS-HSZRJFAPSA-N 1 0 385.552 2.961 50 0 GFAARO CN(C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)[C@H]1CCOC1 ZINC000012200451 570624524 /nfs/dbraw/zinc/62/45/24/570624524.db2.gz VKTPBYRGLDDGJN-FQEVSTJZSA-N 1 0 395.503 2.986 50 0 GFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000012315268 570640785 /nfs/dbraw/zinc/64/07/85/570640785.db2.gz VZQQSBZGXQJHJT-QFIPXVFZSA-N 1 0 393.531 2.960 50 0 GFAARO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000229818664 570666684 /nfs/dbraw/zinc/66/66/84/570666684.db2.gz IPDSMUURMRECIW-PMPSAXMXSA-N 1 0 377.916 2.930 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000054991825 570679169 /nfs/dbraw/zinc/67/91/69/570679169.db2.gz IVPOQXWRUMMORK-UHFFFAOYSA-N 1 0 379.526 2.674 50 0 endogenous,in-man GFAARO O=C(CC[N@@H+]1CCCN(C(=O)C2CCC2)CC1)NCc1cccc(Cl)c1 ZINC000243893840 570691564 /nfs/dbraw/zinc/69/15/64/570691564.db2.gz AURWTQBCOIHEDR-UHFFFAOYSA-N 1 0 377.916 2.681 50 0 GFAARO C[NH+]1CCN(CCCNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1 ZINC000065097951 570696528 /nfs/dbraw/zinc/69/65/28/570696528.db2.gz TVUAKOOMOYXAIP-UHFFFAOYSA-N 1 0 396.470 2.987 50 0 GFAARO COc1cccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000036548453 570734852 /nfs/dbraw/zinc/73/48/52/570734852.db2.gz YGFGHFAQTPWSPB-OAQYLSRUSA-N 1 0 393.487 2.587 50 0 GFAARO COc1ccccc1OCCNC(=O)c1nc(C)n(C2CC[NH+](C)CC2)c1C ZINC000065257294 570756005 /nfs/dbraw/zinc/75/60/05/570756005.db2.gz ZFWSJYVJXINSFF-UHFFFAOYSA-N 1 0 386.496 2.584 50 0 GFAARO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1)[C@H]1COC[C@@H]1O ZINC000065370751 570761662 /nfs/dbraw/zinc/76/16/62/570761662.db2.gz QEANFKLPPWEZPG-OALUTQOASA-N 1 0 376.403 2.799 50 0 GFAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc3c(c2)OCO3)[nH+]1 ZINC000036708134 570793952 /nfs/dbraw/zinc/79/39/52/570793952.db2.gz DFHNCJVYTKNLMF-UHFFFAOYSA-N 1 0 398.467 2.738 50 0 GFAARO CCCC[NH+](CCCC)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000004687399 570831600 /nfs/dbraw/zinc/83/16/00/570831600.db2.gz WTKUCPHYKLAPQP-UHFFFAOYSA-N 1 0 384.524 2.929 50 0 GFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cnc2ccccc2n1 ZINC000032827696 570840756 /nfs/dbraw/zinc/84/07/56/570840756.db2.gz IQVIIAPAWCLYHH-UHFFFAOYSA-N 1 0 389.503 2.568 50 0 GFAARO Cc1ccc(C2=NN(CC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004708298 570855156 /nfs/dbraw/zinc/85/51/56/570855156.db2.gz ZKFBXZPUBYGCPS-HDICACEKSA-N 1 0 384.524 2.701 50 0 GFAARO CSc1cccc(CN(C)C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000534576756 570901076 /nfs/dbraw/zinc/90/10/76/570901076.db2.gz UWLINRWSTMHOGU-UHFFFAOYSA-N 1 0 376.570 2.578 50 0 GFAARO C[NH+](C)C[C@@H]1COCCN(C(=O)NCC2(c3ccccc3F)CCCC2)C1 ZINC000534583354 570903352 /nfs/dbraw/zinc/90/33/52/570903352.db2.gz LSTIFRLVXAMIHG-KRWDZBQOSA-N 1 0 377.504 2.857 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCO2 ZINC000263585344 570908235 /nfs/dbraw/zinc/90/82/35/570908235.db2.gz HQEGIQVTYMEHPQ-LEWJYISDSA-N 1 0 386.536 2.904 50 0 GFAARO COc1cc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000023127998 570913454 /nfs/dbraw/zinc/91/34/54/570913454.db2.gz HKKUVVSZMZLAMO-UHFFFAOYSA-N 1 0 388.464 2.947 50 0 GFAARO COc1cccc(-n2cc([C@@H](C)NC(=O)N3CC[NH+](CC4CC4)CC3)cn2)c1 ZINC000534660506 570915210 /nfs/dbraw/zinc/91/52/10/570915210.db2.gz KTGNTVUHBLDNTO-MRXNPFEDSA-N 1 0 383.496 2.679 50 0 GFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000046940865 570938310 /nfs/dbraw/zinc/93/83/10/570938310.db2.gz INVDRUBTBJINNC-UHFFFAOYSA-N 1 0 389.503 2.697 50 0 GFAARO CCOC(=O)C1=C(C)N(CCC[NH+](C)C)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000014876394 570940124 /nfs/dbraw/zinc/94/01/24/570940124.db2.gz ZHFZRBJUPPOXOE-QGZVFWFLSA-N 1 0 379.501 2.846 50 0 GFAARO [NH3+]CCCOC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1 ZINC000237830544 570944661 /nfs/dbraw/zinc/94/46/61/570944661.db2.gz CLZFXDAJQPDDBE-UHFFFAOYSA-N 1 0 380.916 2.745 50 0 GFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000107329155 570972602 /nfs/dbraw/zinc/97/26/02/570972602.db2.gz PBWWVMDNMKXXHH-WOJBJXKFSA-N 1 0 395.528 2.592 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)C1 ZINC000252512690 570982210 /nfs/dbraw/zinc/98/22/10/570982210.db2.gz UTBBBJFCODTSID-XLAORIBOSA-N 1 0 379.545 2.726 50 0 GFAARO C[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000045498605 570991921 /nfs/dbraw/zinc/99/19/21/570991921.db2.gz PHUVNWTUMLULDX-MRXNPFEDSA-N 1 0 393.487 2.513 50 0 GFAARO [NH3+]CC1CCC(C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000170677432 571008974 /nfs/dbraw/zinc/00/89/74/571008974.db2.gz AUKLDPCCRJUJAB-UHFFFAOYSA-N 1 0 397.441 2.755 50 0 GFAARO CC(C)Oc1ccc(C(=O)NCC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000007779024 571036632 /nfs/dbraw/zinc/03/66/32/571036632.db2.gz WVYUWNJZXAAUFY-UHFFFAOYSA-N 1 0 375.513 2.584 50 0 GFAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000952983646 665011607 /nfs/dbraw/zinc/01/16/07/665011607.db2.gz WHZUDYQUIAZNNH-LBPRGKRZSA-N 1 0 381.325 2.582 50 0 GFAARO [NH3+]C1CCN(C(=O)/C=C\c2ccc(-n3cc(Br)cn3)c(F)c2)CC1 ZINC000606441865 677674363 /nfs/dbraw/zinc/67/43/63/677674363.db2.gz OKIJFEIGCFAKSM-RQOWECAXSA-N 1 0 393.260 2.737 50 0 GFAARO O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000426493883 231228543 /nfs/dbraw/zinc/22/85/43/231228543.db2.gz AUVRXYQMDUAWLA-QFIPXVFZSA-N 1 0 383.492 2.709 50 0 GFAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1csc(Cc2ccccc2)n1 ZINC000426698254 231252833 /nfs/dbraw/zinc/25/28/33/231252833.db2.gz MHCQGZZAEKTRRD-QGZVFWFLSA-N 1 0 395.532 2.714 50 0 GFAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000015773619 210168090 /nfs/dbraw/zinc/16/80/90/210168090.db2.gz AKLYEHOGZNYYBX-OAQYLSRUSA-N 1 0 379.504 2.993 50 0 GFAARO COc1cccc(NC(=O)[C@@H]([NH2+]C2CCN(C(C)=O)CC2)c2ccccc2)c1 ZINC000015501066 210158502 /nfs/dbraw/zinc/15/85/02/210158502.db2.gz QPRDOJNMGIEIQH-NRFANRHFSA-N 1 0 381.476 2.976 50 0 GFAARO COC[C@H](C)[NH+]1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000015079871 210152324 /nfs/dbraw/zinc/15/23/24/210152324.db2.gz ZVTMZYPEQBUSJA-INIZCTEOSA-N 1 0 376.497 2.809 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC(O)CC2)Cc2ccccc2C1 ZINC000015062563 210146480 /nfs/dbraw/zinc/14/64/80/210146480.db2.gz JIZMLALNSDMTOO-UHFFFAOYSA-N 1 0 378.516 2.682 50 0 GFAARO COCCn1c2ccc(C)cc2cc(C[NH2+]Cc2ccc3c(c2)OCO3)c1=O ZINC000014989035 210140686 /nfs/dbraw/zinc/14/06/86/210140686.db2.gz KHWLFZGGANUWEG-UHFFFAOYSA-N 1 0 380.444 2.975 50 0 GFAARO CN(Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)Cc1cnccn1 ZINC000014978769 210138474 /nfs/dbraw/zinc/13/84/74/210138474.db2.gz GULXEPRXEYBSKP-OAQYLSRUSA-N 1 0 384.524 2.724 50 0 GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](O)C3)CC2)CC1 ZINC000014959947 210132577 /nfs/dbraw/zinc/13/25/77/210132577.db2.gz YRFSGOZUBHWLPQ-HSZRJFAPSA-N 1 0 399.579 2.655 50 0 GFAARO Cc1nonc1CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950135 210130545 /nfs/dbraw/zinc/13/05/45/210130545.db2.gz NLZMZYODLBSGJT-QGZVFWFLSA-N 1 0 390.915 2.987 50 0 GFAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)c1C ZINC000014774847 210126165 /nfs/dbraw/zinc/12/61/65/210126165.db2.gz KHOAJONVYFXQPJ-SFHVURJKSA-N 1 0 399.491 2.994 50 0 GFAARO CC(C)OCCC[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014541176 210121362 /nfs/dbraw/zinc/12/13/62/210121362.db2.gz SUMGPLDFLHDMTI-OAHLLOKOSA-N 1 0 390.553 2.674 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014539142 210118435 /nfs/dbraw/zinc/11/84/35/210118435.db2.gz ARSPNFJMLSKTKM-IBGZPJMESA-N 1 0 396.535 2.659 50 0 GFAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCc2cccc(F)c2)C1 ZINC000014532404 210118761 /nfs/dbraw/zinc/11/87/61/210118761.db2.gz NNBTXAUFICTXFZ-RBUKOAKNSA-N 1 0 395.478 2.795 50 0 GFAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000014237953 210112680 /nfs/dbraw/zinc/11/26/80/210112680.db2.gz SQOBMVYJXFXTSA-OAQYLSRUSA-N 1 0 395.503 2.784 50 0 GFAARO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)NCCc1ccc2c(c1)OCCO2 ZINC000012920732 210030747 /nfs/dbraw/zinc/03/07/47/210030747.db2.gz ZFGBERCUXSWRIV-UHFFFAOYSA-N 1 0 396.487 2.702 50 0 GFAARO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012875799 210021116 /nfs/dbraw/zinc/02/11/16/210021116.db2.gz FJYRMQUUHNNYGN-HKUYNNGSSA-N 1 0 375.472 2.892 50 0 GFAARO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012836604 210017423 /nfs/dbraw/zinc/01/74/23/210017423.db2.gz QJXZZCDSDAOTFK-GOSISDBHSA-N 1 0 387.499 2.555 50 0 GFAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000012836575 210016930 /nfs/dbraw/zinc/01/69/30/210016930.db2.gz RNQDXFLZXCEVRT-QFIPXVFZSA-N 1 0 380.492 2.808 50 0 GFAARO COc1ccc2c(c1)C[C@@H]([NH+]1CCC(CCC(=O)N3CCOCC3)CC1)CC2 ZINC000012593861 209983326 /nfs/dbraw/zinc/98/33/26/209983326.db2.gz VCJSVIYLGWCIBO-NRFANRHFSA-N 1 0 386.536 2.904 50 0 GFAARO CCOc1ccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000007990293 209758000 /nfs/dbraw/zinc/75/80/00/209758000.db2.gz CUFQPXCCRXBCLN-UHFFFAOYSA-N 1 0 395.503 2.596 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1 ZINC000003057945 209409511 /nfs/dbraw/zinc/40/95/11/209409511.db2.gz GPJZNRAZWQJKFY-UHFFFAOYSA-N 1 0 392.521 2.775 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000002645135 209374064 /nfs/dbraw/zinc/37/40/64/209374064.db2.gz AYXKIYMOWIDONS-KRWDZBQOSA-N 1 0 388.464 2.754 50 0 GFAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+](CC)CC ZINC000002404557 209361830 /nfs/dbraw/zinc/36/18/30/209361830.db2.gz LJWRVFHRFRFEPV-UHFFFAOYSA-N 1 0 377.441 2.642 50 0 GFAARO C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096646107 209242269 /nfs/dbraw/zinc/24/22/69/209242269.db2.gz CKPFBSOZZVKQRU-SYGIOELKSA-N 1 0 391.515 2.985 50 0 GFAARO O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096401527 209239671 /nfs/dbraw/zinc/23/96/71/209239671.db2.gz TXSUWOBLQNKCBX-GHXNOFRVSA-N 1 0 389.499 2.767 50 0 GFAARO CCc1oc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000299790161 212039828 /nfs/dbraw/zinc/03/98/28/212039828.db2.gz AQRHZYLRJZZPLN-QGZVFWFLSA-N 1 0 381.476 2.973 50 0 GFAARO COc1ccc(C)nc1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000299762849 212032977 /nfs/dbraw/zinc/03/29/77/212032977.db2.gz CBBIENIQUZTOOD-IBGZPJMESA-N 1 0 383.492 2.642 50 0 GFAARO CCN1CCN(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299756546 212030519 /nfs/dbraw/zinc/03/05/19/212030519.db2.gz GUKBRZYGVVUYMA-ZCNNSNEGSA-N 1 0 381.524 2.900 50 0 GFAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044699 209167524 /nfs/dbraw/zinc/16/75/24/209167524.db2.gz VJQKNQNMTHTCCH-HXUWFJFHSA-N 1 0 381.476 2.872 50 0 GFAARO CCOC(=O)C1=C(C)N(CCC[NH+](C)C)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000014876395 211707272 /nfs/dbraw/zinc/70/72/72/211707272.db2.gz ZHFZRBJUPPOXOE-KRWDZBQOSA-N 1 0 379.501 2.846 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000237451531 211473607 /nfs/dbraw/zinc/47/36/07/211473607.db2.gz IDEJKXWVEHUESO-LPHOPBHVSA-N 1 0 386.517 2.860 50 0 GFAARO CCC(=O)NC1=NC2=[NH+]C(c3ccccc3)=C[C@@H](c3ccc(OC)cc3)N2N1 ZINC000100486286 211386132 /nfs/dbraw/zinc/38/61/32/211386132.db2.gz JCSJMXLBPAWZON-SFHVURJKSA-N 1 0 375.432 2.849 50 0 GFAARO O=C(NCCCn1cccn1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000097123590 211358928 /nfs/dbraw/zinc/35/89/28/211358928.db2.gz IHMUCMWJZSCRKR-UHFFFAOYSA-N 1 0 383.521 2.733 50 0 GFAARO Cc1nc2c(c(NCCC[N@@H+]3CCC[C@@H](CO)C3)n1)Cc1ccccc1OC2 ZINC000096149138 211310050 /nfs/dbraw/zinc/31/00/50/211310050.db2.gz NAGAEPXSIWKOIA-QGZVFWFLSA-N 1 0 382.508 2.775 50 0 GFAARO Oc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 ZINC000096136027 211305532 /nfs/dbraw/zinc/30/55/32/211305532.db2.gz FJKYWANYKZECQR-UHFFFAOYSA-N 1 0 378.480 2.943 50 0 GFAARO CC(=O)c1c(C)cc(C)c(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000095962953 211288845 /nfs/dbraw/zinc/28/88/45/211288845.db2.gz YTSASOCIBPZGRZ-LJQANCHMSA-N 1 0 392.565 2.556 50 0 GFAARO CC1(C)CN(Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CCO1 ZINC000095527229 211272590 /nfs/dbraw/zinc/27/25/90/211272590.db2.gz WXUCGOHJTNHZFE-HXUWFJFHSA-N 1 0 376.541 2.913 50 0 GFAARO Cc1ccc(OCCS(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@H+](CC2CC2)C3)cc1 ZINC000095524207 211269221 /nfs/dbraw/zinc/26/92/21/211269221.db2.gz PZAMXTJPWPVYCF-RTBURBONSA-N 1 0 378.538 2.510 50 0 GFAARO C[C@H](CO)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095496825 211251242 /nfs/dbraw/zinc/25/12/42/211251242.db2.gz ZLEUNTKEUZKCSP-GOSISDBHSA-N 1 0 382.504 2.883 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1F ZINC000095510036 211260079 /nfs/dbraw/zinc/26/00/79/211260079.db2.gz NEQJSFXNYKUTIW-GOEBONIOSA-N 1 0 375.469 2.914 50 0 GFAARO Cn1cnnc1CCNC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000095501883 211255101 /nfs/dbraw/zinc/25/51/01/211255101.db2.gz VGUQZNRMVWLJBZ-UHFFFAOYSA-N 1 0 399.539 2.677 50 0 GFAARO CNC(=O)CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095501176 211252968 /nfs/dbraw/zinc/25/29/68/211252968.db2.gz PQRPMQIEEDOEPO-UHFFFAOYSA-N 1 0 393.915 2.602 50 0 GFAARO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000095430504 211238593 /nfs/dbraw/zinc/23/85/93/211238593.db2.gz MDKBGGWKIWXONX-QGZVFWFLSA-N 1 0 390.553 2.757 50 0 GFAARO Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000095476171 211247492 /nfs/dbraw/zinc/24/74/92/211247492.db2.gz BVMWJTFWZXQHSM-UHFFFAOYSA-N 1 0 392.507 2.821 50 0 GFAARO Cc1[nH+]c(CNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c2ccccn12 ZINC000095446490 211241455 /nfs/dbraw/zinc/24/14/55/211241455.db2.gz XPVYTGDLWJMSKN-UHFFFAOYSA-N 1 0 391.431 2.613 50 0 GFAARO COc1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095360133 211224366 /nfs/dbraw/zinc/22/43/66/211224366.db2.gz MYGOBWDFCOSPRU-VLCRHTCISA-N 1 0 392.503 2.609 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(-c3ccccc3)nc1C)C2 ZINC000095354388 211222222 /nfs/dbraw/zinc/22/22/22/211222222.db2.gz GYRVEWXXZQVGKC-IEBWSBKVSA-N 1 0 380.492 2.635 50 0 GFAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NCc1ccccc1-n1cncn1 ZINC000095384847 211235390 /nfs/dbraw/zinc/23/53/90/211235390.db2.gz FSBWEVBAFRIZKF-FQEVSTJZSA-N 1 0 375.476 2.763 50 0 GFAARO OC[C@@]12C[N@H+](Cc3cc(F)ccc3-n3cccn3)C[C@@H]1c1ccccc1OC2 ZINC000095387561 211234529 /nfs/dbraw/zinc/23/45/29/211234529.db2.gz NRFLJBVTRVJTAQ-DENIHFKCSA-N 1 0 379.435 2.982 50 0 GFAARO CC[N@H+](C)CCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095385035 211233994 /nfs/dbraw/zinc/23/39/94/211233994.db2.gz PZLALTYIVQCEGF-MAODMQOUSA-N 1 0 377.479 2.695 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnc(C)nc2C)C3)cc1 ZINC000095382547 211232345 /nfs/dbraw/zinc/23/23/45/211232345.db2.gz RFVIVVKRWGKORK-RBUKOAKNSA-N 1 0 380.492 2.839 50 0 GFAARO Cc1nc2ncccn2c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095376114 211229491 /nfs/dbraw/zinc/22/94/91/211229491.db2.gz WVKVOFYZVBBGDM-RBUKOAKNSA-N 1 0 375.476 2.774 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000095371226 211228196 /nfs/dbraw/zinc/22/81/96/211228196.db2.gz DRTNNGDYPXMQII-UHFFFAOYSA-N 1 0 384.480 2.583 50 0 GFAARO CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)c(C)n1 ZINC000095365365 211225751 /nfs/dbraw/zinc/22/57/51/211225751.db2.gz QAGFKPIRGJCHOX-RBUKOAKNSA-N 1 0 382.508 2.957 50 0 GFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000091997945 211213020 /nfs/dbraw/zinc/21/30/20/211213020.db2.gz RTVDSJYLLTWXRU-UHFFFAOYSA-N 1 0 388.537 2.932 50 0 GFAARO CN1CCC([NH+]2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)CC1 ZINC000091665553 211202655 /nfs/dbraw/zinc/20/26/55/211202655.db2.gz YVOXIZOEGDTMRW-UHFFFAOYSA-N 1 0 377.479 2.874 50 0 GFAARO CCc1ncc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cn1 ZINC000091695392 211202399 /nfs/dbraw/zinc/20/23/99/211202399.db2.gz TVFSZMUSTSIIOG-UHFFFAOYSA-N 1 0 393.535 2.881 50 0 GFAARO COc1ccccc1CN1C[C@H](c2nc(CC3CC[NH+](C)CC3)no2)CCC1=O ZINC000091586622 211197250 /nfs/dbraw/zinc/19/72/50/211197250.db2.gz GVPCZBHFJOPHOE-GOSISDBHSA-N 1 0 398.507 2.869 50 0 GFAARO COc1cccc(Cn2ncnc2-c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000091725607 211205238 /nfs/dbraw/zinc/20/52/38/211205238.db2.gz QQZFBXADBBBOCX-UHFFFAOYSA-N 1 0 377.492 2.749 50 0 GFAARO O=C(COc1ccc(Cl)cc1Cl)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000091769411 211204843 /nfs/dbraw/zinc/20/48/43/211204843.db2.gz XZVBIYUMAXAMJA-UHFFFAOYSA-N 1 0 387.307 2.822 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cccc(-c3ccc(C)cc3)c2)C[C@@H]1CO ZINC000091270195 211188141 /nfs/dbraw/zinc/18/81/41/211188141.db2.gz HRNCJSNFMYGEMT-DHIUTWEWSA-N 1 0 396.531 2.921 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccnn1C(F)F ZINC000082108507 211160886 /nfs/dbraw/zinc/16/08/86/211160886.db2.gz DPZIUIGLHHSPHT-UHFFFAOYSA-N 1 0 378.427 2.553 50 0 GFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH+]1CCSCC1)CC2 ZINC000082039559 211159270 /nfs/dbraw/zinc/15/92/70/211159270.db2.gz VGHVHEYBUVHVSB-MRXNPFEDSA-N 1 0 376.570 2.729 50 0 GFAARO CC1CC[NH+](Cc2ccc(C(=O)N3CCC4(CN(C)C(=O)O4)CC3)o2)CC1 ZINC000077440122 211134541 /nfs/dbraw/zinc/13/45/41/211134541.db2.gz BBESYKFKHWLXMT-UHFFFAOYSA-N 1 0 375.469 2.568 50 0 GFAARO COc1ccccc1CC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OC ZINC000072425339 211116005 /nfs/dbraw/zinc/11/60/05/211116005.db2.gz REWFHMGKTTULRF-YADHBBJMSA-N 1 0 380.488 2.745 50 0 GFAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000072659229 211125250 /nfs/dbraw/zinc/12/52/50/211125250.db2.gz CMCJSQJQBCOAIQ-UHFFFAOYSA-N 1 0 376.497 2.745 50 0 GFAARO c1cn(-c2ccc(OC[C@@H]3CCCO3)cc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072469180 211122700 /nfs/dbraw/zinc/12/27/00/211122700.db2.gz FAOHYMXKWATDQP-IBGZPJMESA-N 1 0 379.464 2.787 50 0 GFAARO COc1cccc(OC)c1C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OC ZINC000072436420 211119566 /nfs/dbraw/zinc/11/95/66/211119566.db2.gz FHPJGXMVVVMWCU-RTWAWAEBSA-N 1 0 396.487 2.825 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000072435462 211119330 /nfs/dbraw/zinc/11/93/30/211119330.db2.gz XLVKFKNRUGHEHO-UHFFFAOYSA-N 1 0 381.455 2.514 50 0 GFAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC([N@H+]4CCCC[C@@H]4C)C3)c12 ZINC000072432192 211118663 /nfs/dbraw/zinc/11/86/63/211118663.db2.gz GRBHTDFEHTYPBB-AWEZNQCLSA-N 1 0 377.496 2.797 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cncc(C(=O)N4CCCC4)n3)C2)c1 ZINC000072426967 211117835 /nfs/dbraw/zinc/11/78/35/211117835.db2.gz OXEYTYPABQZKQW-GOSISDBHSA-N 1 0 395.507 2.798 50 0 GFAARO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000072296371 211084596 /nfs/dbraw/zinc/08/45/96/211084596.db2.gz OREKBYCWNCTTCY-LBPRGKRZSA-N 1 0 382.302 2.685 50 0 GFAARO CCc1ncc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072168472 211080097 /nfs/dbraw/zinc/08/00/97/211080097.db2.gz ZPJIEDMNHLOQHG-CEWLAPEOSA-N 1 0 380.467 2.881 50 0 GFAARO Cc1c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000072163904 211080010 /nfs/dbraw/zinc/08/00/10/211080010.db2.gz HINFWASBUHVYRN-IBGZPJMESA-N 1 0 376.888 2.567 50 0 GFAARO Cc1c(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cnc2ccnn21 ZINC000072164076 211079177 /nfs/dbraw/zinc/07/91/77/211079177.db2.gz IIZVDSLROZCITG-IBGZPJMESA-N 1 0 375.476 2.701 50 0 GFAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)[C@H]1O ZINC000072161536 211077744 /nfs/dbraw/zinc/07/77/44/211077744.db2.gz FJAIQJOMACBDRV-UXHICEINSA-N 1 0 388.870 2.956 50 0 GFAARO O=C(c1ccccn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157234 211077542 /nfs/dbraw/zinc/07/75/42/211077542.db2.gz XADGJFGXZVULIG-ZLGUVYLKSA-N 1 0 377.444 2.513 50 0 GFAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071776832 211061620 /nfs/dbraw/zinc/06/16/20/211061620.db2.gz OUULMRKIDNZXMR-IBGZPJMESA-N 1 0 382.508 2.667 50 0 GFAARO COc1ccc(F)cc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071763722 211060209 /nfs/dbraw/zinc/06/02/09/211060209.db2.gz AWARPSYWEMNHOD-MRXNPFEDSA-N 1 0 389.515 2.789 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071661235 211051307 /nfs/dbraw/zinc/05/13/07/211051307.db2.gz GHHQOTHTQXVGBC-KRWDZBQOSA-N 1 0 399.564 2.531 50 0 GFAARO CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000071707823 211052351 /nfs/dbraw/zinc/05/23/51/211052351.db2.gz IZFKFSLIVAWGKB-UHFFFAOYSA-N 1 0 377.496 2.841 50 0 GFAARO Cc1onc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1CO ZINC000071497928 211049932 /nfs/dbraw/zinc/04/99/32/211049932.db2.gz GVWYUVZKLYCWIK-IBGZPJMESA-N 1 0 389.471 2.987 50 0 GFAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071439951 211049380 /nfs/dbraw/zinc/04/93/80/211049380.db2.gz ILEOKZYYGBHKGP-IBGZPJMESA-N 1 0 389.455 2.825 50 0 GFAARO O=c1n(Cc2cccc(F)c2F)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000071405589 211047378 /nfs/dbraw/zinc/04/73/78/211047378.db2.gz FBHOQUAYYMQQCZ-UHFFFAOYSA-N 1 0 384.430 2.887 50 0 GFAARO OCCn1c2ccccc2nc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000067756494 211021286 /nfs/dbraw/zinc/02/12/86/211021286.db2.gz VZCRYRZCLWCONJ-UHFFFAOYSA-N 1 0 375.476 2.832 50 0 GFAARO CCC[N@@H+]1CCCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CC1 ZINC000067833707 211022375 /nfs/dbraw/zinc/02/23/75/211022375.db2.gz YJKCPSNYGGPZLJ-UHFFFAOYSA-N 1 0 387.436 2.540 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)ccc3F)CC2)C1 ZINC000067431970 211009336 /nfs/dbraw/zinc/00/93/36/211009336.db2.gz GSUXRDCSXIBGLQ-OAHLLOKOSA-N 1 0 377.479 2.920 50 0 GFAARO COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067285562 211007223 /nfs/dbraw/zinc/00/72/23/211007223.db2.gz MPUSUCFPYAMDNG-QGZVFWFLSA-N 1 0 377.872 2.997 50 0 GFAARO CC[C@@H](C)[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040722009 210790148 /nfs/dbraw/zinc/79/01/48/210790148.db2.gz VISJZEZZQZJOPZ-VFNWGFHPSA-N 1 0 383.492 2.878 50 0 GFAARO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 ZINC000072244159 210745877 /nfs/dbraw/zinc/74/58/77/210745877.db2.gz NPJGLVFCNOWDJW-IBGZPJMESA-N 1 0 398.898 2.667 50 0 GFAARO Cc1cccc2c(=O)n(CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cnc12 ZINC000040118864 210527869 /nfs/dbraw/zinc/52/78/69/210527869.db2.gz LRIWCMQSQHYDJI-IRXDYDNUSA-N 1 0 384.524 2.579 50 0 GFAARO Cc1nnc(-c2cccc(N3CCC([NH2+][C@H](C)Cn4cncn4)CC3)c2)s1 ZINC000023214087 210437463 /nfs/dbraw/zinc/43/74/63/210437463.db2.gz REFZDCBSOAVVSZ-CQSZACIVSA-N 1 0 383.525 2.752 50 0 GFAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1C ZINC000021468881 210382582 /nfs/dbraw/zinc/38/25/82/210382582.db2.gz OTJINJYGIDGWLL-UHFFFAOYSA-N 1 0 399.491 2.775 50 0 GFAARO C[C@@H](CCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1)[NH+]1CCCC1 ZINC000021019333 210374036 /nfs/dbraw/zinc/37/40/36/210374036.db2.gz ARWOOKHDVUCFKV-HNNXBMFYSA-N 1 0 389.521 2.834 50 0 GFAARO CCOC(=O)c1noc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000020992236 210372645 /nfs/dbraw/zinc/37/26/45/210372645.db2.gz VTXXDUFGBAPCNH-UHFFFAOYSA-N 1 0 381.436 2.871 50 0 GFAARO CCn1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cn1 ZINC000020912369 210369683 /nfs/dbraw/zinc/36/96/83/210369683.db2.gz HQOKAUCQZBOJAF-NRFANRHFSA-N 1 0 386.540 2.597 50 0 GFAARO Cc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000020999812 210375331 /nfs/dbraw/zinc/37/53/31/210375331.db2.gz HCRPPKDAOXUFSG-SFHVURJKSA-N 1 0 386.540 2.575 50 0 GFAARO O[C@H]1[C@H]([N@@H+]2CCCOCC2)c2ccccc2C12CCN(c1ccccn1)CC2 ZINC000020782777 210361255 /nfs/dbraw/zinc/36/12/55/210361255.db2.gz FDYBKGAGMIPZNY-YADHBBJMSA-N 1 0 379.504 2.758 50 0 GFAARO CSCCC[N@@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323297 210330049 /nfs/dbraw/zinc/33/00/49/210330049.db2.gz NFGRMVWNQIAAHY-IBGZPJMESA-N 1 0 391.581 2.750 50 0 GFAARO C/C(=C\c1ccco1)CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020351550 210328879 /nfs/dbraw/zinc/32/88/79/210328879.db2.gz OUMKHDZOSQVYDL-DQYQWZCESA-N 1 0 375.557 2.924 50 0 GFAARO O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCC[NH+]1CCCCC1 ZINC000020416573 210333782 /nfs/dbraw/zinc/33/37/82/210333782.db2.gz GBZNPZQWARIADJ-UHFFFAOYSA-N 1 0 395.507 2.650 50 0 GFAARO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000020209610 210322280 /nfs/dbraw/zinc/32/22/80/210322280.db2.gz PVUZUGGKHQCDNH-IBGZPJMESA-N 1 0 376.460 2.647 50 0 GFAARO O=C(Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1)[C@@H]1CCOC1 ZINC000019835527 210303261 /nfs/dbraw/zinc/30/32/61/210303261.db2.gz YSUVLDDBKUYFNP-GOSISDBHSA-N 1 0 380.492 2.662 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3Cl)C2=O)cc1 ZINC000019890007 210306043 /nfs/dbraw/zinc/30/60/43/210306043.db2.gz DZVWLWRPZDJQGJ-SFHVURJKSA-N 1 0 385.851 2.763 50 0 GFAARO COc1ccc(N2C(=O)C[C@H]([NH2+]C34CC5CC(CC(C5)C3)C4)C2=O)c(OC)c1 ZINC000019881075 210304443 /nfs/dbraw/zinc/30/44/43/210304443.db2.gz QDMQGUGANXXLCL-LEJIWSMMSA-N 1 0 384.476 2.894 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000011820675 221129405 /nfs/dbraw/zinc/12/94/05/221129405.db2.gz IJXNXNFNNGRLQF-IBGZPJMESA-N 1 0 382.508 2.667 50 0 GFAARO Cc1cc(N2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000091933334 136177401 /nfs/dbraw/zinc/17/74/01/136177401.db2.gz RSOZYKCNECIYGS-UHFFFAOYSA-N 1 0 379.508 2.819 50 0 GFAARO Cc1noc(C)c1C[N@@H+](C)CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000095456905 136179262 /nfs/dbraw/zinc/17/92/62/136179262.db2.gz FIIAISLVVHZYNX-FQEVSTJZSA-N 1 0 398.507 2.767 50 0 GFAARO CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCC[NH+](CCO)CCO ZINC000065422561 222130532 /nfs/dbraw/zinc/13/05/32/222130532.db2.gz MFDXOGLTGJRUOG-QGZVFWFLSA-N 1 0 377.554 2.521 50 0 GFAARO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O)NCc1ccco1 ZINC000426387157 534549052 /nfs/dbraw/zinc/54/90/52/534549052.db2.gz WCOJJXKIWFRBLP-JOCHJYFZSA-N 1 0 387.524 2.791 50 0 GFAARO O=S1(=O)C=C[C@@H]([NH2+]C2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000095496711 527297079 /nfs/dbraw/zinc/29/70/79/527297079.db2.gz KTCSOXIIFSDJEV-CYBMUJFWSA-N 1 0 383.926 2.819 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCc3ncccc3C2)nc1 ZINC000067786270 536354425 /nfs/dbraw/zinc/35/44/25/536354425.db2.gz AMQOXMXBBXMSGL-LJQANCHMSA-N 1 0 379.508 2.644 50 0 GFAARO C[N@@H+]1CCN(c2ncc(Cl)cc2C(F)(F)F)C[C@@]12CCNC(=O)CC2 ZINC000107416790 536427256 /nfs/dbraw/zinc/42/72/56/536427256.db2.gz ZBIWFRFVZJIKCG-OAHLLOKOSA-N 1 0 376.810 2.545 50 0 GFAARO CC[NH+]1CCN(c2nc(C)c(Cc3ccc(Br)cc3)c(=O)[nH]2)CC1 ZINC000009614619 551103993 /nfs/dbraw/zinc/10/39/93/551103993.db2.gz MFJXCLZHNAPZJS-UHFFFAOYSA-N 1 0 391.313 2.574 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000237199495 553075988 /nfs/dbraw/zinc/07/59/88/553075988.db2.gz OHLPVXQOQYASSV-DTWKUNHWSA-N 1 0 397.722 2.611 50 0 GFAARO OCC[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751687 566087204 /nfs/dbraw/zinc/08/72/04/566087204.db2.gz QEIQGZXHIWFRRT-QAPCUYQASA-N 1 0 383.330 2.716 50 0 GFAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000012809549 570221848 /nfs/dbraw/zinc/22/18/48/570221848.db2.gz VCFNHZKZVPPYCA-KXBFYZLASA-N 1 0 375.538 2.970 50 0 GFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cn2)CC1 ZINC000048236551 570222098 /nfs/dbraw/zinc/22/20/98/570222098.db2.gz KRWADYRUKDJCFN-UHFFFAOYSA-N 1 0 381.455 2.774 50 0 GFAARO CCc1ccc([C@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)[NH+](C)C)cc1 ZINC000048290659 570229216 /nfs/dbraw/zinc/22/92/16/570229216.db2.gz GFZGAXBFILGVJY-NRFANRHFSA-N 1 0 392.503 2.722 50 0 GFAARO COc1ccc(/C=C/CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000105277301 570260780 /nfs/dbraw/zinc/26/07/80/570260780.db2.gz ARQZKKFTOZQFAM-UKKYDJSUSA-N 1 0 381.520 2.981 50 0 GFAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC ZINC000022074664 570304913 /nfs/dbraw/zinc/30/49/13/570304913.db2.gz WTMJNCHBGCHNRR-UHFFFAOYSA-N 1 0 398.912 2.727 50 0 GFAARO Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012330462 570317871 /nfs/dbraw/zinc/31/78/71/570317871.db2.gz QYANUPSLHIVNAI-UHFFFAOYSA-N 1 0 385.493 2.617 50 0 GFAARO OCCOc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000022852994 570331599 /nfs/dbraw/zinc/33/15/99/570331599.db2.gz WAYQOFFVIPWJNQ-OAQYLSRUSA-N 1 0 376.541 2.507 50 0 GFAARO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)NCCC2=CCCCC2)cc1 ZINC000023473062 570363160 /nfs/dbraw/zinc/36/31/60/570363160.db2.gz XFNJKAGIHLRNRK-JOCHJYFZSA-N 1 0 385.552 2.965 50 0 GFAARO CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000219945300 570378468 /nfs/dbraw/zinc/37/84/68/570378468.db2.gz KFDUGFMIEQDZON-WOJBJXKFSA-N 1 0 376.497 2.748 50 0 GFAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000004672206 570392093 /nfs/dbraw/zinc/39/20/93/570392093.db2.gz RJWRURUOZUJKAD-UHFFFAOYSA-N 1 0 382.460 2.952 50 0 GFAARO O=C(CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCC[NH+]1CCCC1 ZINC000035561897 570397101 /nfs/dbraw/zinc/39/71/01/570397101.db2.gz QIAXAZWVMKPGAY-UHFFFAOYSA-N 1 0 382.508 2.622 50 0 GFAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025765573 570419205 /nfs/dbraw/zinc/41/92/05/570419205.db2.gz DCPNWMCPQBQZQR-VGOFRKELSA-N 1 0 397.494 2.766 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 ZINC000027594543 570437455 /nfs/dbraw/zinc/43/74/55/570437455.db2.gz LENBNVUKJOMHGX-WMZOPIPTSA-N 1 0 387.455 2.690 50 0 GFAARO CCN1CC[NH+](C2(CNC(=O)COc3ccc(F)cc3)CCCCC2)CC1 ZINC000028404251 570459244 /nfs/dbraw/zinc/45/92/44/570459244.db2.gz XNJIRBLAQPNSOQ-UHFFFAOYSA-N 1 0 377.504 2.661 50 0 GFAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006776488 570492822 /nfs/dbraw/zinc/49/28/22/570492822.db2.gz WGLPBHKIVUYUBD-KRWDZBQOSA-N 1 0 393.915 2.519 50 0 GFAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCCC[C@H]2[C@@H]1N1CCOCC1 ZINC000036075326 570528411 /nfs/dbraw/zinc/52/84/11/570528411.db2.gz NNKLHIKTXJPZQM-RBDMOPTHSA-N 1 0 382.508 2.598 50 0 GFAARO COc1ccc(C)cc1N1C[C@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000032960800 570531532 /nfs/dbraw/zinc/53/15/32/570531532.db2.gz FTFLUDPBMCIFJL-QGZVFWFLSA-N 1 0 387.524 2.737 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000036095667 570534752 /nfs/dbraw/zinc/53/47/52/570534752.db2.gz ZRNHWKFEZJMVCN-GOSISDBHSA-N 1 0 375.465 2.592 50 0 GFAARO C[NH+]1CCN(CC2N=NC(=S)N2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000022590853 570538452 /nfs/dbraw/zinc/53/84/52/570538452.db2.gz BMECUTRAIIGEBM-UHFFFAOYSA-N 1 0 395.532 2.882 50 0 GFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(C)c2)c1 ZINC000035422086 570553291 /nfs/dbraw/zinc/55/32/91/570553291.db2.gz PXYRHIAYJCBNOD-UHFFFAOYSA-N 1 0 379.504 2.768 50 0 GFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)[C@@H](O)c1ccccc1 ZINC000040120866 570553948 /nfs/dbraw/zinc/55/39/48/570553948.db2.gz PASMLQNVVWHOBQ-NQIIRXRSSA-N 1 0 397.523 2.715 50 0 GFAARO CCc1nc(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1cccc(F)c1 ZINC000036316578 570563544 /nfs/dbraw/zinc/56/35/44/570563544.db2.gz YHZOTHCUUYISDA-UHFFFAOYSA-N 1 0 386.515 2.970 50 0 GFAARO O=C1NCCN1c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000011661015 570576533 /nfs/dbraw/zinc/57/65/33/570576533.db2.gz KRHDRQVHVSLDIN-LJQANCHMSA-N 1 0 388.475 2.964 50 0 GFAARO Cc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000225543034 570586653 /nfs/dbraw/zinc/58/66/53/570586653.db2.gz GUUGYZRORKWIFR-MRXNPFEDSA-N 1 0 388.430 2.866 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000011865979 570588717 /nfs/dbraw/zinc/58/87/17/570588717.db2.gz SCIWDUXQDNVHBG-IBGZPJMESA-N 1 0 377.488 2.820 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039516190 570592615 /nfs/dbraw/zinc/59/26/15/570592615.db2.gz FNMIWRGRNVOHQN-GOSISDBHSA-N 1 0 378.513 2.524 50 0 GFAARO Cc1c2cc(C)ccc2[nH]c1CN1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039557983 570594127 /nfs/dbraw/zinc/59/41/27/570594127.db2.gz DLZDJEJIOPDFID-HXUWFJFHSA-N 1 0 384.568 2.748 50 0 GFAARO CCCOc1c(Cl)cc(C[NH2+]CCSc2nnnn2C)cc1OCC ZINC000040721849 570606463 /nfs/dbraw/zinc/60/64/63/570606463.db2.gz QBRHLGQJVIDHLU-UHFFFAOYSA-N 1 0 385.921 2.933 50 0 GFAARO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169682018 570612320 /nfs/dbraw/zinc/61/23/20/570612320.db2.gz PIMQXHKZXYBFLB-IRLDBZIGSA-N 1 0 397.494 2.834 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCC1=O ZINC000012196573 570623188 /nfs/dbraw/zinc/62/31/88/570623188.db2.gz YSNSCYHVBNYFEM-SFHVURJKSA-N 1 0 391.943 2.675 50 0 GFAARO CN(C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)[C@@H]1CCOC1 ZINC000012200442 570624610 /nfs/dbraw/zinc/62/46/10/570624610.db2.gz VKTPBYRGLDDGJN-HXUWFJFHSA-N 1 0 395.503 2.986 50 0 GFAARO CN(Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)Cc1ccncn1 ZINC000012387516 570651737 /nfs/dbraw/zinc/65/17/37/570651737.db2.gz LBGQORPNKFFKJC-NRFANRHFSA-N 1 0 384.524 2.724 50 0 GFAARO Cc1ccc(C(=O)N2CCC3(C[N@H+](C)C[C@H]3c3noc(C4CC4)n3)CC2)cn1 ZINC000097151700 570664915 /nfs/dbraw/zinc/66/49/15/570664915.db2.gz JYRKFHLHTJBHQM-KRWDZBQOSA-N 1 0 381.480 2.602 50 0 GFAARO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012443288 570664944 /nfs/dbraw/zinc/66/49/44/570664944.db2.gz ICHYAHSNUUANJW-HXUWFJFHSA-N 1 0 383.536 2.724 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O ZINC000036390641 570672412 /nfs/dbraw/zinc/67/24/12/570672412.db2.gz DPPMDLDKPARMNR-QGZVFWFLSA-N 1 0 390.487 2.999 50 0 GFAARO CN(C(=O)CCC1=NNC(=O)CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012576046 570682320 /nfs/dbraw/zinc/68/23/20/570682320.db2.gz KZWWPZLLPZJZED-HXUWFJFHSA-N 1 0 384.524 2.588 50 0 GFAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000012594861 570688794 /nfs/dbraw/zinc/68/87/94/570688794.db2.gz BYHKGHQKCKVHFU-OAQYLSRUSA-N 1 0 397.563 2.848 50 0 GFAARO COCc1nc(NCCCc2nc3cc(F)ccc3[nH]2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243902032 570692202 /nfs/dbraw/zinc/69/22/02/570692202.db2.gz BFFZPQSATCXXDT-XBXGTLAGSA-N 1 0 384.459 2.888 50 0 GFAARO Cc1nnc(SCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)s1 ZINC000055393436 570694344 /nfs/dbraw/zinc/69/43/44/570694344.db2.gz UDFQWVJOJRHZBS-AWEZNQCLSA-N 1 0 380.539 2.950 50 0 GFAARO Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000244719060 570695396 /nfs/dbraw/zinc/69/53/96/570695396.db2.gz LWGLXXOLULMMIO-PKOBYXMFSA-N 1 0 382.460 2.903 50 0 GFAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000058426501 570732878 /nfs/dbraw/zinc/73/28/78/570732878.db2.gz VTESGGWEJMGWFB-INIZCTEOSA-N 1 0 391.943 2.855 50 0 GFAARO O=C(NCCc1cccnc1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256268 570755260 /nfs/dbraw/zinc/75/52/60/570755260.db2.gz XVZUDHHXQDUDTQ-OAQYLSRUSA-N 1 0 387.487 2.600 50 0 GFAARO Cn1nnnc1SCCn1cnc(-c2ccccc2)c1C1CC[NH+](C)CC1 ZINC000065381309 570763082 /nfs/dbraw/zinc/76/30/82/570763082.db2.gz LCUMEGWRIXMQJU-UHFFFAOYSA-N 1 0 383.525 2.675 50 0 GFAARO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCc3ccccc32)cc1Cl ZINC000170603175 570861754 /nfs/dbraw/zinc/86/17/54/570861754.db2.gz WFVSYLXMQUYBSI-UHFFFAOYSA-N 1 0 387.867 2.808 50 0 GFAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCC3)c2)C1 ZINC000033264385 570882695 /nfs/dbraw/zinc/88/26/95/570882695.db2.gz GWFHYCRRJMUHOS-HXUWFJFHSA-N 1 0 386.540 2.810 50 0 GFAARO [NH2+]=C1NC(SCC(=O)Nc2ccccc2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579225 570898760 /nfs/dbraw/zinc/89/87/60/570898760.db2.gz VABAMJAQBDLHMB-KRWDZBQOSA-N 1 0 378.461 2.812 50 0 GFAARO CCCO[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000534579763 570902664 /nfs/dbraw/zinc/90/26/64/570902664.db2.gz DYIWZKDDZBRURT-FQEVSTJZSA-N 1 0 375.513 2.957 50 0 GFAARO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127510 570912514 /nfs/dbraw/zinc/91/25/14/570912514.db2.gz RKKAZLNHQYZXIE-UHFFFAOYSA-N 1 0 387.505 2.724 50 0 GFAARO C[C@H](CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)[NH+]1CCN(C)CC1 ZINC000534661201 570922140 /nfs/dbraw/zinc/92/21/40/570922140.db2.gz ZGFIKDVCBASRSV-QGZVFWFLSA-N 1 0 383.540 2.868 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000004034841 570923146 /nfs/dbraw/zinc/92/31/46/570923146.db2.gz NUYPOACQZPSOOZ-CQSZACIVSA-N 1 0 393.940 2.885 50 0 GFAARO Cc1csc2nc(CN3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)cc(=O)n12 ZINC000047261112 570950802 /nfs/dbraw/zinc/95/08/02/570950802.db2.gz WGSCQLWCIVDFBS-HNNXBMFYSA-N 1 0 397.504 2.619 50 0 GFAARO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CNCc2cc(F)ccc2F)c1 ZINC000012057271 570957092 /nfs/dbraw/zinc/95/70/92/570957092.db2.gz NURPWFSNAVKZOO-QGZVFWFLSA-N 1 0 380.435 2.565 50 0 GFAARO Cc1cc(NC(=O)Nc2cccc(-n3ccnn3)c2)cc(N2CC[NH+](C)CC2)c1 ZINC000252478190 570966503 /nfs/dbraw/zinc/96/65/03/570966503.db2.gz AFHVMWWKLHEYFK-UHFFFAOYSA-N 1 0 391.479 2.972 50 0 GFAARO CCOC(=O)CN1CCC[C@@H](OC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000084777443 571037448 /nfs/dbraw/zinc/03/74/48/571037448.db2.gz MYEURXRTRDJGEV-HXUWFJFHSA-N 1 0 388.508 2.855 50 0 GFAARO CN(Cc1nc2ncccn2n1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095523471 571089312 /nfs/dbraw/zinc/08/93/12/571089312.db2.gz NCQNYNJNUWCELB-KRWDZBQOSA-N 1 0 382.487 2.650 50 0 GFAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000952984084 665011722 /nfs/dbraw/zinc/01/17/22/665011722.db2.gz NPXMXDHTOMOKOI-KRWDZBQOSA-N 1 0 379.551 2.987 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000409414271 231203650 /nfs/dbraw/zinc/20/36/50/231203650.db2.gz OOGZCDNDXMFHDM-NQIIRXRSSA-N 1 0 397.523 2.825 50 0 GFAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426566845 231243063 /nfs/dbraw/zinc/24/30/63/231243063.db2.gz GEWHBSSLRFUOCN-INIZCTEOSA-N 1 0 379.526 2.881 50 0 GFAARO Cn1ccnc1-c1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000426590052 231243573 /nfs/dbraw/zinc/24/35/73/231243573.db2.gz XHVZPEBXIRKYKT-UHFFFAOYSA-N 1 0 375.476 2.877 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CO ZINC000019224610 210233750 /nfs/dbraw/zinc/23/37/50/210233750.db2.gz VFPDDSGJMLQMNR-LJQANCHMSA-N 1 0 392.503 2.953 50 0 GFAARO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000016607172 210191293 /nfs/dbraw/zinc/19/12/93/210191293.db2.gz UHAGVWFXOQZISB-UHFFFAOYSA-N 1 0 378.476 2.728 50 0 GFAARO Cc1nc2ccccc2n(CCC(=O)N2CCC([NH+]3CCCCC3)CC2)c1=O ZINC000015863364 210176307 /nfs/dbraw/zinc/17/63/07/210176307.db2.gz QFGYDOYZSNTCBA-UHFFFAOYSA-N 1 0 382.508 2.572 50 0 GFAARO C[C@H](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)[NH+]1CCCC1 ZINC000015770335 210167165 /nfs/dbraw/zinc/16/71/65/210167165.db2.gz ICCRLTDMWHYKEE-OAHLLOKOSA-N 1 0 387.553 2.898 50 0 GFAARO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000014966109 210136768 /nfs/dbraw/zinc/13/67/68/210136768.db2.gz IVZXDWOUSMSWNU-GOSISDBHSA-N 1 0 378.561 2.683 50 0 GFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCOC(C)C)C2 ZINC000014754364 210127648 /nfs/dbraw/zinc/12/76/48/210127648.db2.gz KQSLRVZEULYSHE-QGZVFWFLSA-N 1 0 376.545 2.791 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1ccco1)C2 ZINC000014753064 210126865 /nfs/dbraw/zinc/12/68/65/210126865.db2.gz XXOPKBHXJLQAKS-HNNXBMFYSA-N 1 0 388.537 2.674 50 0 GFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014541134 210121690 /nfs/dbraw/zinc/12/16/90/210121690.db2.gz UDBJWQLLFUBGOQ-UHFFFAOYSA-N 1 0 393.487 2.864 50 0 GFAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3CCOCC3)CC2)C1=O ZINC000014543083 210121883 /nfs/dbraw/zinc/12/18/83/210121883.db2.gz VGLNHALKFQCDPE-UHFFFAOYSA-N 1 0 399.535 2.915 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000014532915 210118634 /nfs/dbraw/zinc/11/86/34/210118634.db2.gz PHAXLGAFNSORFD-MRXNPFEDSA-N 1 0 376.570 2.872 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014533567 210118442 /nfs/dbraw/zinc/11/84/42/210118442.db2.gz BYUABPJYFBKVMB-QGZVFWFLSA-N 1 0 384.549 2.739 50 0 GFAARO COc1ccccc1CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014538087 210119102 /nfs/dbraw/zinc/11/91/02/210119102.db2.gz JPWZPAMBZSBBFP-SFHVURJKSA-N 1 0 396.535 2.744 50 0 GFAARO CCOc1cccc(CNCCC[NH2+]CCO)c1OCc1ccccc1F ZINC000013733339 210086886 /nfs/dbraw/zinc/08/68/86/210086886.db2.gz SNXIOTMKHLMNSV-UHFFFAOYSA-N 1 0 376.472 2.865 50 0 GFAARO COc1cc(CNCCC[NH+](C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736234 210086133 /nfs/dbraw/zinc/08/61/33/210086133.db2.gz LRYCNVGKYDCXMW-UHFFFAOYSA-N 1 0 382.468 2.505 50 0 GFAARO Cc1cc2oc(C(=O)N3CCOC34CC[NH+](C)CC4)cc(=O)c2cc1Cl ZINC000013693001 210081179 /nfs/dbraw/zinc/08/11/79/210081179.db2.gz WVWKLWQWBVIZKJ-UHFFFAOYSA-N 1 0 376.840 2.649 50 0 GFAARO C[C@@H]([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl ZINC000012794521 210011534 /nfs/dbraw/zinc/01/15/34/210011534.db2.gz OHONVWJWFLIXJZ-CYBMUJFWSA-N 1 0 392.887 2.667 50 0 GFAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+](CC)CC)c2ccccc21 ZINC000004936564 209547561 /nfs/dbraw/zinc/54/75/61/209547561.db2.gz QWCGAHQRKGLNGY-UHFFFAOYSA-N 1 0 375.538 2.962 50 0 GFAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000010032019 209320483 /nfs/dbraw/zinc/32/04/83/209320483.db2.gz KUOLNLOLCVJBTI-UHFFFAOYSA-N 1 0 381.542 2.886 50 0 GFAARO COCCN1C(=O)CN(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000239808108 209215490 /nfs/dbraw/zinc/21/54/90/209215490.db2.gz KHQNQDCDMCJXMQ-UHFFFAOYSA-N 1 0 399.413 2.580 50 0 GFAARO CCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H]([NH3+])C2)cc1OCC ZINC000132590319 212061134 /nfs/dbraw/zinc/06/11/34/212061134.db2.gz NXBZXEHYSQJZEI-MRXNPFEDSA-N 1 0 382.460 2.888 50 0 GFAARO COCCN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299798922 212038773 /nfs/dbraw/zinc/03/87/73/212038773.db2.gz RYTMNTVRVVLROG-HBMCJLEFSA-N 1 0 382.508 2.621 50 0 GFAARO CC(C)c1ccc(-c2cccc(C(=O)NCCC[NH+]3CCC(O)CC3)c2)nn1 ZINC000299793041 212039791 /nfs/dbraw/zinc/03/97/91/212039791.db2.gz IAVLPIAXPPNBNP-UHFFFAOYSA-N 1 0 382.508 2.844 50 0 GFAARO O=C(Cc1ccc(F)cc1Cl)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299781632 212037350 /nfs/dbraw/zinc/03/73/50/212037350.db2.gz IBHZFJDWQQAIPG-UHFFFAOYSA-N 1 0 395.906 2.568 50 0 GFAARO COc1cccc(-c2ccccc2NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000299784164 212037429 /nfs/dbraw/zinc/03/74/29/212037429.db2.gz LJJRLUHTYFHUKR-GOSISDBHSA-N 1 0 380.492 2.874 50 0 GFAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c2ccccc2n1 ZINC000023106642 211784433 /nfs/dbraw/zinc/78/44/33/211784433.db2.gz OIZMKRHDHIZBSX-QGZVFWFLSA-N 1 0 382.489 2.962 50 0 GFAARO Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000010816732 211671957 /nfs/dbraw/zinc/67/19/57/211671957.db2.gz ZXRYUCVNBSPSRH-UHFFFAOYSA-N 1 0 395.569 2.593 50 0 GFAARO CNC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000097165611 211361028 /nfs/dbraw/zinc/36/10/28/211361028.db2.gz CJPLVYFBTWOVHJ-JSGCOSHPSA-N 1 0 393.285 2.894 50 0 GFAARO CCC(=O)Nc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C ZINC000097713706 211370617 /nfs/dbraw/zinc/37/06/17/211370617.db2.gz VTARIMREACVTBO-QGZVFWFLSA-N 1 0 388.512 2.920 50 0 GFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000097743167 211370392 /nfs/dbraw/zinc/37/03/92/211370392.db2.gz FPPOZEAAISMSNI-QGZVFWFLSA-N 1 0 375.476 2.999 50 0 GFAARO COc1ccccc1Cc1nc([C@@H]2C[C@@H](O)C[NH2+]2)n(Cc2ccc(C)cc2)n1 ZINC000096135719 211305995 /nfs/dbraw/zinc/30/59/95/211305995.db2.gz XPXJTISOWZXRJF-MOPGFXCFSA-N 1 0 378.476 2.630 50 0 GFAARO C[C@H]([NH2+]C1(CNC(=O)NCCc2nccs2)CCOCC1)c1ccccc1 ZINC000095959343 211287915 /nfs/dbraw/zinc/28/79/15/211287915.db2.gz IKAPPQBLMAXJJE-INIZCTEOSA-N 1 0 388.537 2.885 50 0 GFAARO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095512052 211261851 /nfs/dbraw/zinc/26/18/51/211261851.db2.gz YVRLOFWIJWHDSS-VQTJNVASSA-N 1 0 389.503 2.899 50 0 GFAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1O ZINC000095502008 211255249 /nfs/dbraw/zinc/25/52/49/211255249.db2.gz ALWBOOYPBNXOSQ-PMACEKPBSA-N 1 0 379.464 2.554 50 0 GFAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000095501869 211254472 /nfs/dbraw/zinc/25/44/72/211254472.db2.gz ZXIBCKJAHMTAFP-BHIFYINESA-N 1 0 383.536 2.981 50 0 GFAARO Fc1cccc([C@@H]2CN(c3ncnc4nc[nH]c43)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000095390203 211236957 /nfs/dbraw/zinc/23/69/57/211236957.db2.gz RFFFUJUYXJSPLR-MORSLUCNSA-N 1 0 382.418 2.698 50 0 GFAARO COc1cccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1O ZINC000095391468 211236560 /nfs/dbraw/zinc/23/65/60/211236560.db2.gz LAWVMWJBIRRLBO-INIZCTEOSA-N 1 0 386.496 2.569 50 0 GFAARO C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(-c3ccccc3F)o2)cn1 ZINC000095462158 211244769 /nfs/dbraw/zinc/24/47/69/211244769.db2.gz GLMQNMYRPCTWHX-UHFFFAOYSA-N 1 0 385.443 2.572 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2nn(C)cc2Cl)C3)cc1 ZINC000095359540 211223426 /nfs/dbraw/zinc/22/34/26/211223426.db2.gz MOGHDASUSIGBJY-JKSUJKDBSA-N 1 0 388.899 2.819 50 0 GFAARO CC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000095361471 211222884 /nfs/dbraw/zinc/22/28/84/211222884.db2.gz YCXYWIBXKZMUOQ-LJQANCHMSA-N 1 0 378.480 2.642 50 0 GFAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000095352115 211222398 /nfs/dbraw/zinc/22/23/98/211222398.db2.gz NJQDBHOKQOOYQD-LEWJYISDSA-N 1 0 397.563 2.973 50 0 GFAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095374083 211230286 /nfs/dbraw/zinc/23/02/86/211230286.db2.gz BYOLKIQNVUGWQL-IBGZPJMESA-N 1 0 396.466 2.717 50 0 GFAARO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)CC1=O ZINC000095362179 211225860 /nfs/dbraw/zinc/22/58/60/211225860.db2.gz WLNMGWPMALRZDX-SFHVURJKSA-N 1 0 381.476 2.505 50 0 GFAARO CCn1nc(C)cc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363908 211225880 /nfs/dbraw/zinc/22/58/80/211225880.db2.gz KNORIJIZOZIUGS-CEWLAPEOSA-N 1 0 380.492 2.619 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nc3cc(C)ccc3[nH]1)C2 ZINC000095353497 211220985 /nfs/dbraw/zinc/22/09/85/211220985.db2.gz ZSLRTNIWIXMSFO-HZPDHXFCSA-N 1 0 388.537 2.533 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1csc(Cc3ccccc3)n1)C2 ZINC000095352822 211220924 /nfs/dbraw/zinc/22/09/24/211220924.db2.gz DMWHRFXWCLQURV-QZTJIDSGSA-N 1 0 385.533 2.917 50 0 GFAARO O=C(CCc1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000092002422 211212693 /nfs/dbraw/zinc/21/26/93/211212693.db2.gz SNQUCNHWDDDQPA-QUCCMNQESA-N 1 0 394.943 2.594 50 0 GFAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(NC(C)=O)cc3)C[C@H]2NC(C)=O)cc1 ZINC000091587043 211197350 /nfs/dbraw/zinc/19/73/50/211197350.db2.gz FGPXMWBXKJSMNJ-FCHUYYIVSA-N 1 0 381.476 2.758 50 0 GFAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)c1 ZINC000091390903 211190667 /nfs/dbraw/zinc/19/06/67/211190667.db2.gz DRSAFBKTVLSQMF-UHFFFAOYSA-N 1 0 382.508 2.866 50 0 GFAARO O=C(c1ccn2c[nH+]cc2c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000089768489 211183541 /nfs/dbraw/zinc/18/35/41/211183541.db2.gz XEXWNLGYWGIRSB-UHFFFAOYSA-N 1 0 386.814 2.725 50 0 GFAARO CCc1ccc(OCC(=O)N(C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)cc1 ZINC000089286332 211179910 /nfs/dbraw/zinc/17/99/10/211179910.db2.gz VASOBULRMXMNSK-JOCHJYFZSA-N 1 0 396.531 2.548 50 0 GFAARO Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000089548064 211181796 /nfs/dbraw/zinc/18/17/96/211181796.db2.gz ICZVUBOBZFWJRT-INIZCTEOSA-N 1 0 385.508 2.744 50 0 GFAARO Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000089548062 211181557 /nfs/dbraw/zinc/18/15/57/211181557.db2.gz ICZVUBOBZFWJRT-MRXNPFEDSA-N 1 0 385.508 2.744 50 0 GFAARO O=C(CC1CCCC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082098012 211160458 /nfs/dbraw/zinc/16/04/58/211160458.db2.gz BCVWLMOAQXUUAG-LJQANCHMSA-N 1 0 375.557 2.892 50 0 GFAARO COC[C@@](C)(CCO)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000079025838 211153543 /nfs/dbraw/zinc/15/35/43/211153543.db2.gz MOEZMGAEBCFYAW-LJQANCHMSA-N 1 0 380.872 2.593 50 0 GFAARO CC(C)CNC(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077378346 211132563 /nfs/dbraw/zinc/13/25/63/211132563.db2.gz JPZUHNFHGBHRNX-QHCPKHFHSA-N 1 0 385.552 2.706 50 0 GFAARO O=C(NCc1ccc(C(F)(F)F)cc1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077357966 211130847 /nfs/dbraw/zinc/13/08/47/211130847.db2.gz ZKQYRKTZCRBPMB-HNNXBMFYSA-N 1 0 381.402 2.759 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3ccc(C)o3)cc2C1=O ZINC000072423255 211116394 /nfs/dbraw/zinc/11/63/94/211116394.db2.gz WZUOEGSTAXWYMW-GOSISDBHSA-N 1 0 381.476 2.958 50 0 GFAARO COc1ccc(CC(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2OC)cc1 ZINC000072475160 211122503 /nfs/dbraw/zinc/12/25/03/211122503.db2.gz QDRROQVPLOKVCW-YADHBBJMSA-N 1 0 380.488 2.745 50 0 GFAARO Cc1nc2ncccn2c1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072435060 211120987 /nfs/dbraw/zinc/12/09/87/211120987.db2.gz JOJRQHLBKCPMIL-UHFFFAOYSA-N 1 0 379.508 2.764 50 0 GFAARO CC(C)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072145692 211075833 /nfs/dbraw/zinc/07/58/33/211075833.db2.gz HTRJABXFMDEEOK-QFIPXVFZSA-N 1 0 393.531 2.781 50 0 GFAARO CCNc1nc(NCCNC(=O)c2ccccc2Br)cc(C)[nH+]1 ZINC000072117369 211069295 /nfs/dbraw/zinc/06/92/95/211069295.db2.gz AYSATLHKYMUUNU-UHFFFAOYSA-N 1 0 378.274 2.821 50 0 GFAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)[nH]1 ZINC000071775865 211062595 /nfs/dbraw/zinc/06/25/95/211062595.db2.gz BKYUADFSJHKXLD-HOTGVXAUSA-N 1 0 394.523 2.769 50 0 GFAARO CCSCCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071776474 211062282 /nfs/dbraw/zinc/06/22/82/211062282.db2.gz PMDWLCDQCIWPIV-SFHVURJKSA-N 1 0 390.597 2.627 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3noc(-c4ccccc4)n3)CC2)C1 ZINC000071745335 211053379 /nfs/dbraw/zinc/05/33/79/211053379.db2.gz PFNNEGXKPKZWKP-QGZVFWFLSA-N 1 0 395.507 2.696 50 0 GFAARO Cc1cccc2[nH]c(CN(C)C(=O)[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc21 ZINC000071753014 211055435 /nfs/dbraw/zinc/05/54/35/211055435.db2.gz FJMGNPBNYJHIGU-KRWDZBQOSA-N 1 0 383.540 2.636 50 0 GFAARO O=C(c1ccsc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071681609 211050934 /nfs/dbraw/zinc/05/09/34/211050934.db2.gz MPEVUVCHEUPPOI-INIZCTEOSA-N 1 0 375.538 2.687 50 0 GFAARO CC[C@H](C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)[NH+]1CCCC1 ZINC000067805755 211022284 /nfs/dbraw/zinc/02/22/84/211022284.db2.gz KCFNDRRRIPDVNZ-MRXNPFEDSA-N 1 0 383.448 2.829 50 0 GFAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000049547891 210862738 /nfs/dbraw/zinc/86/27/38/210862738.db2.gz XZKOKTGIANLIOP-UHFFFAOYSA-N 1 0 377.533 2.520 50 0 GFAARO CN(C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000299738660 210819234 /nfs/dbraw/zinc/81/92/34/210819234.db2.gz DVLOZGITXQEKMR-CQSZACIVSA-N 1 0 379.386 2.597 50 0 GFAARO C[NH+](C)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021527444 210384008 /nfs/dbraw/zinc/38/40/08/210384008.db2.gz POXXLCARZYSVDR-HSZRJFAPSA-N 1 0 396.535 2.866 50 0 GFAARO OCC[C@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020997218 210373570 /nfs/dbraw/zinc/37/35/70/210373570.db2.gz CBEJDQANZKCNQB-QHCPKHFHSA-N 1 0 376.504 2.941 50 0 GFAARO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000020908136 210369665 /nfs/dbraw/zinc/36/96/65/210369665.db2.gz IKIDPOIDANMVJW-HNQUOIGGSA-N 1 0 378.436 2.619 50 0 GFAARO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000020745692 210361376 /nfs/dbraw/zinc/36/13/76/210361376.db2.gz NNRODKVKUHVARF-SFHVURJKSA-N 1 0 397.471 2.990 50 0 GFAARO Cn1nnc2c1ncnc2N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020615055 210351925 /nfs/dbraw/zinc/35/19/25/210351925.db2.gz JIDIXBKRJARLNT-UHFFFAOYSA-N 1 0 385.475 2.670 50 0 GFAARO COc1ccc(-n2nc(C(=O)NCCC[NH+](C)C)nc2-c2ccccc2)cc1 ZINC000020215518 210324531 /nfs/dbraw/zinc/32/45/31/210324531.db2.gz MPOSJLZIPWPJAD-UHFFFAOYSA-N 1 0 379.464 2.624 50 0 GFAARO c1cnn(-c2cccc(N3CCC([NH2+]CCn4nnc5ccccc54)CC3)c2)c1 ZINC000020233920 210324551 /nfs/dbraw/zinc/32/45/51/210324551.db2.gz ADYDBWPMAZTXJZ-UHFFFAOYSA-N 1 0 387.491 2.876 50 0 GFAARO C[C@H](NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1)c1nc[nH]n1 ZINC000019836669 210301207 /nfs/dbraw/zinc/30/12/07/210301207.db2.gz IHPPBXRJYCGURC-INIZCTEOSA-N 1 0 375.476 2.652 50 0 GFAARO CC(=O)c1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019636192 210276644 /nfs/dbraw/zinc/27/66/44/210276644.db2.gz UIGARGGLIGTSFC-QHCPKHFHSA-N 1 0 387.568 2.631 50 0 GFAARO COc1ccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1OC ZINC000012363248 221185108 /nfs/dbraw/zinc/18/51/08/221185108.db2.gz XSGXJXLAXIQGNN-IYBDPMFKSA-N 1 0 378.513 2.786 50 0 GFAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Cn4cnnn4)cc3)C2)C1 ZINC000012712024 221219325 /nfs/dbraw/zinc/21/93/25/221219325.db2.gz IYIDFHQLLVUUFL-QFIPXVFZSA-N 1 0 396.539 2.696 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2onc3c2CCCC3)c2ccccc2C12CC[NH2+]CC2 ZINC000426552140 533306350 /nfs/dbraw/zinc/30/63/50/533306350.db2.gz WMVKOTMMESDLLL-QUCCMNQESA-N 1 0 381.476 2.674 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CCCN(c2ncccn2)C1 ZINC000058023244 136154293 /nfs/dbraw/zinc/15/42/93/136154293.db2.gz NCGJKHTZKKOOGS-SFHVURJKSA-N 1 0 397.498 2.613 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799776 136157668 /nfs/dbraw/zinc/15/76/68/136157668.db2.gz SBNZGOIJIPJTRR-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000071708074 136165830 /nfs/dbraw/zinc/16/58/30/136165830.db2.gz LFTASKBVQQVBEC-FQEVSTJZSA-N 1 0 393.535 2.516 50 0 GFAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ncc(F)c(N3CCOCC3)n2)c1 ZINC000071760135 136166110 /nfs/dbraw/zinc/16/61/10/136166110.db2.gz OXOHXCQIPNUULX-QGZVFWFLSA-N 1 0 386.471 2.900 50 0 GFAARO CN1CCN(c2ccc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)nn2)CC1 ZINC000071764010 136166393 /nfs/dbraw/zinc/16/63/93/136166393.db2.gz HBZPPZFRFWPAER-IBGZPJMESA-N 1 0 381.524 2.676 50 0 GFAARO CCN(CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1C ZINC000072294498 136167898 /nfs/dbraw/zinc/16/78/98/136167898.db2.gz JDDKRCOSBCACMP-UHFFFAOYSA-N 1 0 395.551 2.545 50 0 GFAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[NH2+][C@@H](c4ccccc4)C3)c12 ZINC000072448020 136170733 /nfs/dbraw/zinc/17/07/33/136170733.db2.gz WLRGPCWFTLFZJV-GOSISDBHSA-N 1 0 385.475 2.885 50 0 GFAARO Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)n1 ZINC000091416591 136176332 /nfs/dbraw/zinc/17/63/32/136176332.db2.gz XOTCTEYICPAYRZ-QFIPXVFZSA-N 1 0 379.508 2.585 50 0 GFAARO Cc1cccnc1N1CCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000091665345 136177114 /nfs/dbraw/zinc/17/71/14/136177114.db2.gz SRPZJZOAOWROSA-UHFFFAOYSA-N 1 0 378.520 2.702 50 0 GFAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[NH+]1CCCCC1 ZINC000101410600 136189664 /nfs/dbraw/zinc/18/96/64/136189664.db2.gz KMDFNRLLHOFYRR-UHFFFAOYSA-N 1 0 383.492 2.654 50 0 GFAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(OC)cc3C)CC2)cc(C)[nH+]1 ZINC000067602063 222149879 /nfs/dbraw/zinc/14/98/79/222149879.db2.gz KUNZFTTYVLBVDH-UHFFFAOYSA-N 1 0 384.484 2.888 50 0 GFAARO CCNc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000067602097 222150543 /nfs/dbraw/zinc/15/05/43/222150543.db2.gz CDJIFLWQCOUNAG-UHFFFAOYSA-N 1 0 389.887 2.598 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023260 535538160 /nfs/dbraw/zinc/53/81/60/535538160.db2.gz CPLGFKRSSDUHKV-GOSISDBHSA-N 1 0 399.514 2.957 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000040105300 535670234 /nfs/dbraw/zinc/67/02/34/535670234.db2.gz VERJFEHUQVQMAK-HXUWFJFHSA-N 1 0 381.524 2.892 50 0 GFAARO COc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000011853350 536739625 /nfs/dbraw/zinc/73/96/25/536739625.db2.gz RGEBXPXFWPTQCJ-UHFFFAOYSA-N 1 0 383.492 2.646 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000237084684 553074134 /nfs/dbraw/zinc/07/41/34/553074134.db2.gz XZEZNQDPXNQUGA-CYBMUJFWSA-N 1 0 377.286 2.706 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237509498 553078696 /nfs/dbraw/zinc/07/86/96/553078696.db2.gz MOYFLEUMNBMJNY-QWHCGFSZSA-N 1 0 377.286 2.834 50 0 GFAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000244900277 553088603 /nfs/dbraw/zinc/08/86/03/553088603.db2.gz ZZDUJGOFICTONM-LBPRGKRZSA-N 1 0 380.275 2.685 50 0 GFAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000253430842 553151564 /nfs/dbraw/zinc/15/15/64/553151564.db2.gz MBEQOAGNOIHSSM-IOASZLSFSA-N 1 0 383.334 2.821 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000262743331 553174703 /nfs/dbraw/zinc/17/47/03/553174703.db2.gz JPWMAGHQRAHVDJ-GUTXKFCHSA-N 1 0 394.313 2.530 50 0 GFAARO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000652383153 565927512 /nfs/dbraw/zinc/92/75/12/565927512.db2.gz BLNLQIDEWVEPPW-GRYCIOLGSA-N 1 0 398.472 2.816 50 0 GFAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000012809556 570221733 /nfs/dbraw/zinc/22/17/33/570221733.db2.gz VCFNHZKZVPPYCA-BEFAXECRSA-N 1 0 375.538 2.970 50 0 GFAARO O=C(c1ccc(OCc2cccnc2)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000048311608 570233497 /nfs/dbraw/zinc/23/34/97/570233497.db2.gz OFDXCARISIYHCQ-JOCHJYFZSA-N 1 0 395.503 2.988 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)C1 ZINC000048311101 570233509 /nfs/dbraw/zinc/23/35/09/570233509.db2.gz WYMCGQXZFBZLBA-FUHIMQAGSA-N 1 0 383.536 2.792 50 0 GFAARO COc1ccccc1[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)[NH+]1CCCC1 ZINC000048313934 570236766 /nfs/dbraw/zinc/23/67/66/570236766.db2.gz AVAVAQHMHYSUSR-HXUWFJFHSA-N 1 0 399.535 2.597 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)CC1 ZINC000104355138 570257200 /nfs/dbraw/zinc/25/72/00/570257200.db2.gz SJPKLAUFTLLOCJ-HXUWFJFHSA-N 1 0 381.511 2.706 50 0 GFAARO O=C(Cn1ccnc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010809791 570301117 /nfs/dbraw/zinc/30/11/17/570301117.db2.gz YGQLJXYFYQCOIM-UHFFFAOYSA-N 1 0 375.476 2.844 50 0 GFAARO C[N@H+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc2ccccc2c1 ZINC000022199389 570307209 /nfs/dbraw/zinc/30/72/09/570307209.db2.gz CFRNBIVDWVVVGF-UHFFFAOYSA-N 1 0 397.500 2.948 50 0 GFAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000023358018 570321783 /nfs/dbraw/zinc/32/17/83/570321783.db2.gz MYUVTGXKMYNOJW-NRFANRHFSA-N 1 0 397.523 2.611 50 0 GFAARO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009218 570328146 /nfs/dbraw/zinc/32/81/46/570328146.db2.gz CZRJWVQWFJTATR-UHFFFAOYSA-N 1 0 377.916 2.937 50 0 GFAARO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000023694585 570329987 /nfs/dbraw/zinc/32/99/87/570329987.db2.gz BAFNNWJMRROISX-KRWDZBQOSA-N 1 0 378.476 2.943 50 0 GFAARO CNC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000237221785 570339101 /nfs/dbraw/zinc/33/91/01/570339101.db2.gz IEZQXHZATSCFFZ-IAGOWNOFSA-N 1 0 395.503 2.585 50 0 GFAARO CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000004872211 570352137 /nfs/dbraw/zinc/35/21/37/570352137.db2.gz RDXGWTQVBXNKEE-NKELODKYSA-N 1 0 397.629 2.899 50 0 GFAARO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000023248816 570352157 /nfs/dbraw/zinc/35/21/57/570352157.db2.gz MBOVPJAPZSPUQV-SIKLNZKXSA-N 1 0 393.531 2.936 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cc1CO ZINC000023360333 570356735 /nfs/dbraw/zinc/35/67/35/570356735.db2.gz UOFPUVRPTJXAIM-IBGZPJMESA-N 1 0 390.549 2.708 50 0 GFAARO C[NH+](C)CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562011 570397071 /nfs/dbraw/zinc/39/70/71/570397071.db2.gz DZBDPXYBMMICAH-UHFFFAOYSA-N 1 0 390.915 2.741 50 0 GFAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073362 570401114 /nfs/dbraw/zinc/40/11/14/570401114.db2.gz RWKYSBDOVOATGX-UHFFFAOYSA-N 1 0 382.489 2.687 50 0 GFAARO CC(=O)c1c(C)nn(CCC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000222540162 570414021 /nfs/dbraw/zinc/41/40/21/570414021.db2.gz JVOCSFWVWIINOS-HXUWFJFHSA-N 1 0 382.508 2.608 50 0 GFAARO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000239762505 570430757 /nfs/dbraw/zinc/43/07/57/570430757.db2.gz CLSFJPDGCPYCCP-MOPGFXCFSA-N 1 0 377.488 2.889 50 0 GFAARO C[C@@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741674 570441300 /nfs/dbraw/zinc/44/13/00/570441300.db2.gz WDCISGBUKXYGOF-QGZVFWFLSA-N 1 0 377.504 2.660 50 0 GFAARO CCCCN1CCOC[C@@H]1C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000252552175 570477593 /nfs/dbraw/zinc/47/75/93/570477593.db2.gz UQGNSAJSJZETIZ-MAUKXSAKSA-N 1 0 376.497 2.526 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn4c3nc(C)cc4C)cc2)CC1 ZINC000029798945 570480283 /nfs/dbraw/zinc/48/02/83/570480283.db2.gz HGOIAAIRJKYHLI-UHFFFAOYSA-N 1 0 378.480 2.740 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3cccs3)cc2)CC1 ZINC000029798808 570480408 /nfs/dbraw/zinc/48/04/08/570480408.db2.gz VXEGICBIKXNRTC-HNNXBMFYSA-N 1 0 386.521 2.647 50 0 GFAARO COc1cccc(N2CC[NH+](CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000030964144 570502355 /nfs/dbraw/zinc/50/23/55/570502355.db2.gz GEVAIWPLWZIUJT-UHFFFAOYSA-N 1 0 397.475 2.617 50 0 GFAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000011100370 570521666 /nfs/dbraw/zinc/52/16/66/570521666.db2.gz RWHBDYQWHUDPTJ-KBXCAEBGSA-N 1 0 375.494 2.648 50 0 GFAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(F)c2)c1 ZINC000035422092 570553153 /nfs/dbraw/zinc/55/31/53/570553153.db2.gz WYTVWSAIUFYIDH-UHFFFAOYSA-N 1 0 383.467 2.598 50 0 GFAARO O=C(N[C@H]1CCOC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011668213 570579445 /nfs/dbraw/zinc/57/94/45/570579445.db2.gz CVDHXNZJARLTQG-IBGZPJMESA-N 1 0 381.476 2.644 50 0 GFAARO CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2F)CC1 ZINC000011784094 570582378 /nfs/dbraw/zinc/58/23/78/570582378.db2.gz DCQFTVNEDAXZBC-QGZVFWFLSA-N 1 0 391.487 2.917 50 0 GFAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000011878629 570590366 /nfs/dbraw/zinc/59/03/66/570590366.db2.gz CIFHMLAETXRYAA-FQEVSTJZSA-N 1 0 378.394 2.747 50 0 GFAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccoc2)CC3)CC1 ZINC000012053210 570601291 /nfs/dbraw/zinc/60/12/91/570601291.db2.gz GHBBVLDCGJQNMQ-SFHVURJKSA-N 1 0 389.496 2.619 50 0 GFAARO C[C@@H](C(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1)N1CCCC1=O ZINC000012057627 570602874 /nfs/dbraw/zinc/60/28/74/570602874.db2.gz MKQHSSUOUCKVDV-KRWDZBQOSA-N 1 0 389.515 2.550 50 0 GFAARO CC[C@H](C)[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040722012 570606393 /nfs/dbraw/zinc/60/63/93/570606393.db2.gz VISJZEZZQZJOPZ-YCRPNKLZSA-N 1 0 383.492 2.878 50 0 GFAARO C[NH+]1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(Cl)cc2)CC1 ZINC000097939340 570614644 /nfs/dbraw/zinc/61/46/44/570614644.db2.gz VLCJEDBIEBKZQT-UHFFFAOYSA-N 1 0 397.910 2.632 50 0 GFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[NH+]1CCC(C)CC1)CO2 ZINC000006819529 570621642 /nfs/dbraw/zinc/62/16/42/570621642.db2.gz PNLVSXUHLGYCLF-UHFFFAOYSA-N 1 0 382.508 2.989 50 0 GFAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)s1 ZINC000012435854 570662134 /nfs/dbraw/zinc/66/21/34/570662134.db2.gz POCXMIXMCHDNER-UHFFFAOYSA-N 1 0 387.553 2.913 50 0 GFAARO Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(-c2ccccc2)n1 ZINC000230177570 570668448 /nfs/dbraw/zinc/66/84/48/570668448.db2.gz XOTCTEYICPAYRZ-JOCHJYFZSA-N 1 0 379.508 2.585 50 0 GFAARO Cc1ccc(OCCN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c(Cl)c1 ZINC000230196354 570668488 /nfs/dbraw/zinc/66/84/88/570668488.db2.gz WGNPJUXFTXSEPN-HXUWFJFHSA-N 1 0 379.932 2.656 50 0 GFAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012454080 570668771 /nfs/dbraw/zinc/66/87/71/570668771.db2.gz LEPCWRSWRXJMTJ-FQEVSTJZSA-N 1 0 397.519 2.745 50 0 GFAARO O=C(/C=C/c1ccccc1Cl)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 ZINC000012470964 570672813 /nfs/dbraw/zinc/67/28/13/570672813.db2.gz VYYHLUFEHNXWGI-BQYQJAHWSA-N 1 0 375.900 2.510 50 0 GFAARO NC(=O)CCn1cc(C[NH2+]CCN2CCc3ccccc3C2)c2ccccc21 ZINC000055036176 570679450 /nfs/dbraw/zinc/67/94/50/570679450.db2.gz NJIZCSCQUMIQSA-UHFFFAOYSA-N 1 0 376.504 2.665 50 0 GFAARO C[NH+](C)[C@H]1CCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)C1 ZINC000012584070 570685074 /nfs/dbraw/zinc/68/50/74/570685074.db2.gz QELJKFHMRYFTER-IBGZPJMESA-N 1 0 375.476 2.692 50 0 GFAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)C1CCN(c2ncccn2)CC1 ZINC000055211240 570686695 /nfs/dbraw/zinc/68/66/95/570686695.db2.gz DMABXVPQRKUSPX-UHFFFAOYSA-N 1 0 381.524 2.592 50 0 GFAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCCn1cncn1 ZINC000012592821 570687990 /nfs/dbraw/zinc/68/79/90/570687990.db2.gz PFFXBHSGUVSXMD-UHFFFAOYSA-N 1 0 387.503 2.611 50 0 GFAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000012594867 570688587 /nfs/dbraw/zinc/68/85/87/570688587.db2.gz BYHKGHQKCKVHFU-NRFANRHFSA-N 1 0 397.563 2.848 50 0 GFAARO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000055369302 570692594 /nfs/dbraw/zinc/69/25/94/570692594.db2.gz QUZQVYHSTGLIEY-HXUWFJFHSA-N 1 0 393.535 2.829 50 0 GFAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000012705166 570700021 /nfs/dbraw/zinc/70/00/21/570700021.db2.gz FWRMJBKTZHERCZ-DNQXCXABSA-N 1 0 396.531 2.658 50 0 GFAARO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000058053051 570708357 /nfs/dbraw/zinc/70/83/57/570708357.db2.gz LQIZWXPAQQDRAJ-PBHICJAKSA-N 1 0 385.468 2.968 50 0 GFAARO FC(F)(F)c1cc(N2CC[NH+](CCn3cncn3)CC2)c2ccccc2n1 ZINC000252480509 570728284 /nfs/dbraw/zinc/72/82/84/570728284.db2.gz CBFKJNLAFQDUKY-UHFFFAOYSA-N 1 0 376.386 2.667 50 0 GFAARO O=c1cc(N2CC[NH+](CCCc3cccnc3)CC2)c(-c2ccccc2)n[nH]1 ZINC000252491972 570728394 /nfs/dbraw/zinc/72/83/94/570728394.db2.gz MAMSPGZHSDFRHU-UHFFFAOYSA-N 1 0 375.476 2.587 50 0 GFAARO COCc1nc(NCc2nc(-c3ccccc3F)no2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000252568981 570730238 /nfs/dbraw/zinc/73/02/38/570730238.db2.gz VSKPLKBWPPTSGJ-HAQNSBGRSA-N 1 0 384.415 2.629 50 0 GFAARO Cc1noc(C)c1CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000058415761 570732303 /nfs/dbraw/zinc/73/23/03/570732303.db2.gz MEGGCMJFBJSQIK-KRWDZBQOSA-N 1 0 384.480 2.560 50 0 GFAARO COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000065166640 570758166 /nfs/dbraw/zinc/75/81/66/570758166.db2.gz OVKMKLALVCQIOU-UHFFFAOYSA-N 1 0 376.460 2.768 50 0 GFAARO CN1CC[NH+](CCCNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258299 570759830 /nfs/dbraw/zinc/75/98/30/570759830.db2.gz NRWCZZBCVKHWGI-UHFFFAOYSA-N 1 0 393.495 2.607 50 0 GFAARO CCNc1nc(C(N)=O)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000021943451 570773715 /nfs/dbraw/zinc/77/37/15/570773715.db2.gz HMDXLFRBORHFNC-UHFFFAOYSA-N 1 0 387.509 2.912 50 0 GFAARO CC1CC[NH+](CCCNC(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000065273115 570779226 /nfs/dbraw/zinc/77/92/26/570779226.db2.gz MXBYIHAFPYTRPA-INIZCTEOSA-N 1 0 391.581 2.793 50 0 GFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1cccc(-c2nnco2)c1)[C@H](O)c1ccccc1 ZINC000044084915 570862145 /nfs/dbraw/zinc/86/21/45/570862145.db2.gz JFLYJMAZPCBUTN-IEBWSBKVSA-N 1 0 395.463 2.770 50 0 GFAARO Cc1nc2ncnn2c(C)c1CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012594118 570884041 /nfs/dbraw/zinc/88/40/41/570884041.db2.gz IHBHBUJLZSRWBG-UHFFFAOYSA-N 1 0 398.555 2.979 50 0 GFAARO Cc1[nH]nc(C(C)C)c1-c1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1 ZINC000534578243 570902153 /nfs/dbraw/zinc/90/21/53/570902153.db2.gz AFFJYIKLFDBEGI-RBUKOAKNSA-N 1 0 384.524 2.893 50 0 GFAARO O=C(NC1CC1)[C@@H]1Cc2ccccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104915958 570907946 /nfs/dbraw/zinc/90/79/46/570907946.db2.gz GINNXDMPBGHAJA-FYYLOGMGSA-N 1 0 391.515 2.707 50 0 GFAARO O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127374 570912540 /nfs/dbraw/zinc/91/25/40/570912540.db2.gz TVEDOSKHSFWWBR-UHFFFAOYSA-N 1 0 377.916 2.727 50 0 GFAARO CC(C)Oc1cccc(CNC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000534659632 570916760 /nfs/dbraw/zinc/91/67/60/570916760.db2.gz FQKOQONQPSUZNG-UHFFFAOYSA-N 1 0 388.556 2.643 50 0 GFAARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+]2CCCC2)cc1OC ZINC000012197244 570962971 /nfs/dbraw/zinc/96/29/71/570962971.db2.gz NOYYYJKJECIXSD-QGZVFWFLSA-N 1 0 398.459 2.999 50 0 GFAARO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C/c1cc(Br)ccc1F ZINC000253420173 655435283 /nfs/dbraw/zinc/43/52/83/655435283.db2.gz WYBGZQNNWXYBDM-WTTQEFJQSA-N 1 0 385.277 2.515 50 0 GFAARO OC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000864097370 662354552 /nfs/dbraw/zinc/35/45/52/662354552.db2.gz PRCGUUBQQAAUEU-OTWHNJEPSA-N 1 0 392.293 2.577 50 0 GFAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 ZINC000426404197 231215243 /nfs/dbraw/zinc/21/52/43/231215243.db2.gz HCHQSKBBSAGMMF-UHFFFAOYSA-N 1 0 381.505 2.991 50 0 GFAARO COc1ccc(OC)c(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019366855 210244284 /nfs/dbraw/zinc/24/42/84/210244284.db2.gz YECJEQZBUFOYFS-UHFFFAOYSA-N 1 0 383.492 2.850 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414164 231203996 /nfs/dbraw/zinc/20/39/96/231203996.db2.gz OFLAYJUMVBZROV-FXAWDEMLSA-N 1 0 376.545 2.961 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(O)(c2ccccn2)CC1 ZINC000426518964 231234149 /nfs/dbraw/zinc/23/41/49/231234149.db2.gz LQLXQELOHYIGJC-HXUWFJFHSA-N 1 0 394.519 2.739 50 0 GFAARO CCOCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000019147836 210229615 /nfs/dbraw/zinc/22/96/15/210229615.db2.gz MWKWZNOYRAHLMU-GOSISDBHSA-N 1 0 384.524 2.507 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2c1 ZINC000018240750 210218554 /nfs/dbraw/zinc/21/85/54/210218554.db2.gz HNUPGNKAUVIITP-FQEVSTJZSA-N 1 0 377.444 2.949 50 0 GFAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000015773677 210167286 /nfs/dbraw/zinc/16/72/86/210167286.db2.gz NYCXSXZZGMISIU-JOCHJYFZSA-N 1 0 391.515 2.919 50 0 GFAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014748928 210126244 /nfs/dbraw/zinc/12/62/44/210126244.db2.gz WOMODPIMCGQYNV-GOSISDBHSA-N 1 0 398.576 2.989 50 0 GFAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000014672801 210122421 /nfs/dbraw/zinc/12/24/21/210122421.db2.gz LDYMPXDTTWTXKP-HXUWFJFHSA-N 1 0 380.488 2.897 50 0 GFAARO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000014185419 210106863 /nfs/dbraw/zinc/10/68/63/210106863.db2.gz OZIZNXWQHMGIMU-UHFFFAOYSA-N 1 0 377.504 2.913 50 0 GFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013845283 210093581 /nfs/dbraw/zinc/09/35/81/210093581.db2.gz IBILLJXSWPAQQX-QGZVFWFLSA-N 1 0 381.436 2.732 50 0 GFAARO Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)sc2nc3n(c(=O)c12)CCC3 ZINC000012922250 210030913 /nfs/dbraw/zinc/03/09/13/210030913.db2.gz BHBVLJJLDMTLFG-UHFFFAOYSA-N 1 0 396.516 2.704 50 0 GFAARO O=C(CSc1nnc(NC2CC2)s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012903549 210026074 /nfs/dbraw/zinc/02/60/74/210026074.db2.gz VOVYRTJUNOZJOR-HNNXBMFYSA-N 1 0 389.550 2.595 50 0 GFAARO O=C(c1ccc[n+]([O-])c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011661772 209876396 /nfs/dbraw/zinc/87/63/96/209876396.db2.gz DTGYUAURJVGJGM-QHCPKHFHSA-N 1 0 379.504 2.881 50 0 GFAARO CC(=O)N1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)Oc2ccccc21 ZINC000008343154 209775298 /nfs/dbraw/zinc/77/52/98/209775298.db2.gz IASVYDALQYBFNZ-JOCHJYFZSA-N 1 0 393.487 2.713 50 0 GFAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)cc1 ZINC000009622071 209278500 /nfs/dbraw/zinc/27/85/00/209278500.db2.gz AWKNRHCDWROAHW-UHFFFAOYSA-N 1 0 399.491 2.880 50 0 GFAARO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245380957 209217297 /nfs/dbraw/zinc/21/72/97/209217297.db2.gz WXPGGVIAUXPESM-LPMFXHHGSA-N 1 0 389.471 2.975 50 0 GFAARO Cc1cccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)n1 ZINC000036385663 209191781 /nfs/dbraw/zinc/19/17/81/209191781.db2.gz ZXIUAOQLCBGGPM-HSZRJFAPSA-N 1 0 391.519 2.645 50 0 GFAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1 ZINC000299789383 212038506 /nfs/dbraw/zinc/03/85/06/212038506.db2.gz YXHCVZBVZKBVAX-IBGZPJMESA-N 1 0 383.467 2.810 50 0 GFAARO CC(C)=CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299797358 212039375 /nfs/dbraw/zinc/03/93/75/212039375.db2.gz ONBNSBABWMRYCN-HXUWFJFHSA-N 1 0 376.472 2.863 50 0 GFAARO CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C[NH2+][C@@H](C)CO)CC1 ZINC000299760817 212033048 /nfs/dbraw/zinc/03/30/48/212033048.db2.gz KGDFIPXMACRXEZ-INIZCTEOSA-N 1 0 385.508 2.793 50 0 GFAARO CCCOc1c(Br)cc(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000236989163 211442765 /nfs/dbraw/zinc/44/27/65/211442765.db2.gz BXPMFVRQZTWGIB-UHFFFAOYSA-N 1 0 388.302 2.878 50 0 GFAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)Nc1ccccc1OCc1ccccn1 ZINC000096150349 211312276 /nfs/dbraw/zinc/31/22/76/211312276.db2.gz VIKYFSLWEZOLIK-SFHVURJKSA-N 1 0 384.480 2.629 50 0 GFAARO Cc1ccc(C)c(-n2nc(-c3ccncc3)nc2C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000096153194 211312043 /nfs/dbraw/zinc/31/20/43/211312043.db2.gz WJYXYLVGOFVFNY-IBGZPJMESA-N 1 0 376.508 2.734 50 0 GFAARO COc1ccc(C[NH+]2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc1OC ZINC000096223854 211319488 /nfs/dbraw/zinc/31/94/88/211319488.db2.gz PITWYTRBIIYROS-UHFFFAOYSA-N 1 0 387.480 2.632 50 0 GFAARO COc1cccc([C@H](CNC(=O)[C@H](C)NC(=O)/C=C\c2ccccc2)[NH+](C)C)c1 ZINC000096129986 211304856 /nfs/dbraw/zinc/30/48/56/211304856.db2.gz XXLWZPKHPDCLJA-HMWGEHFTSA-N 1 0 395.503 2.632 50 0 GFAARO Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000096014164 211294454 /nfs/dbraw/zinc/29/44/54/211294454.db2.gz MIDCDYHLHPUWPF-GOSISDBHSA-N 1 0 390.547 2.811 50 0 GFAARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000096141609 211308492 /nfs/dbraw/zinc/30/84/92/211308492.db2.gz JQVLJKRGKAPHCT-UHFFFAOYSA-N 1 0 383.496 2.519 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)oc2C)C[N@@H+]1C1CCCC1 ZINC000096136593 211307220 /nfs/dbraw/zinc/30/72/20/211307220.db2.gz FWKSBHPDKPHGOG-LPHOPBHVSA-N 1 0 375.513 2.880 50 0 GFAARO O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000095530881 211275624 /nfs/dbraw/zinc/27/56/24/211275624.db2.gz ROLYVRAPGIHVKI-QGZVFWFLSA-N 1 0 381.451 2.501 50 0 GFAARO COc1cc(CN2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521518 211267366 /nfs/dbraw/zinc/26/73/66/211267366.db2.gz KGOIUADLXFACFX-HXUWFJFHSA-N 1 0 392.540 2.532 50 0 GFAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2nc[nH]n2)CC1 ZINC000095519335 211264420 /nfs/dbraw/zinc/26/44/20/211264420.db2.gz KJMZSZCOWRKWEC-UHFFFAOYSA-N 1 0 385.512 2.824 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Cc3cc(C)no3)C2)cc1 ZINC000095509618 211259579 /nfs/dbraw/zinc/25/95/79/211259579.db2.gz ACBJMHMBIPEGFJ-IBGZPJMESA-N 1 0 385.508 2.947 50 0 GFAARO CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)o1 ZINC000095503084 211256236 /nfs/dbraw/zinc/25/62/36/211256236.db2.gz MIAXXYUITRPXRN-KRWDZBQOSA-N 1 0 387.528 2.509 50 0 GFAARO O=C(NC[C@H]1CCCCN1C(=O)NCCC[NH+]1CCCC1)Nc1ccccc1 ZINC000095461056 211244255 /nfs/dbraw/zinc/24/42/55/211244255.db2.gz SJUYSAZFBAHIJY-LJQANCHMSA-N 1 0 387.528 2.858 50 0 GFAARO CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1=O ZINC000095355658 211221710 /nfs/dbraw/zinc/22/17/10/211221710.db2.gz GZDWYDMXMVYPCU-FXAWDEMLSA-N 1 0 383.467 2.744 50 0 GFAARO CN(C)c1ccccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095388838 211236312 /nfs/dbraw/zinc/23/63/12/211236312.db2.gz YQNVWCGZLMQOHN-UHFFFAOYSA-N 1 0 383.540 2.921 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095387201 211234941 /nfs/dbraw/zinc/23/49/41/211234941.db2.gz LISZMZPXWYTXNR-MDNUFGMLSA-N 1 0 377.488 2.722 50 0 GFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1 ZINC000095380379 211232884 /nfs/dbraw/zinc/23/28/84/211232884.db2.gz YYKBFCGJTORCBN-FQEVSTJZSA-N 1 0 383.536 2.902 50 0 GFAARO O=C(Cn1cc2ccccc2n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095371859 211227704 /nfs/dbraw/zinc/22/77/04/211227704.db2.gz CWHNZJURZPPHDP-FXAWDEMLSA-N 1 0 375.476 2.554 50 0 GFAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)ccc1=O ZINC000095367201 211227026 /nfs/dbraw/zinc/22/70/26/211227026.db2.gz FXGKSQNYTVNTIT-FQEVSTJZSA-N 1 0 379.504 2.727 50 0 GFAARO CNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000091933654 211211073 /nfs/dbraw/zinc/21/10/73/211211073.db2.gz JVZHNUGFAGDLLK-AZUAARDMSA-N 1 0 379.508 2.688 50 0 GFAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(N(C)C)nc1)CC2 ZINC000091914565 211209546 /nfs/dbraw/zinc/20/95/46/211209546.db2.gz BJBWWJMQVRBFQO-UHFFFAOYSA-N 1 0 382.556 2.876 50 0 GFAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000092097205 211217454 /nfs/dbraw/zinc/21/74/54/211217454.db2.gz HLGQMMJLPGTLQD-QFIPXVFZSA-N 1 0 377.492 2.763 50 0 GFAARO Cc1ccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1Cl ZINC000091782118 211205864 /nfs/dbraw/zinc/20/58/64/211205864.db2.gz BMGWSWOZCVZANM-LJQANCHMSA-N 1 0 378.904 2.809 50 0 GFAARO CCc1nc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000091289405 211190856 /nfs/dbraw/zinc/19/08/56/211190856.db2.gz OOVGUAKWNFSNQL-FQEVSTJZSA-N 1 0 376.570 2.614 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(CO)cc2)C3)cc1 ZINC000091325766 211190505 /nfs/dbraw/zinc/19/05/05/211190505.db2.gz WPDSADKGINLCGU-PZJWPPBQSA-N 1 0 380.488 2.924 50 0 GFAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCc4c[nH]nc43)cc2)C[C@H](C)O1 ZINC000089936691 211188440 /nfs/dbraw/zinc/18/84/40/211188440.db2.gz GOFWVXNPHPCHLP-GQIGUUNPSA-N 1 0 382.508 2.755 50 0 GFAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc1 ZINC000091518724 211194832 /nfs/dbraw/zinc/19/48/32/211194832.db2.gz PLKZVQYZLQJKMV-QFIPXVFZSA-N 1 0 381.524 2.814 50 0 GFAARO CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cn1 ZINC000091494116 211193897 /nfs/dbraw/zinc/19/38/97/211193897.db2.gz GWVGNGJKWPNJFB-IBGZPJMESA-N 1 0 386.540 2.984 50 0 GFAARO COc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091416939 211192739 /nfs/dbraw/zinc/19/27/39/211192739.db2.gz IEMMKLAUNWVBGV-QFBILLFUSA-N 1 0 377.488 2.794 50 0 GFAARO O=S(=O)(c1ccc(-c2cc[nH]n2)o1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077504759 211136364 /nfs/dbraw/zinc/13/63/64/211136364.db2.gz JLAVNUXXAGSLLA-HNNXBMFYSA-N 1 0 378.498 2.699 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000072474421 211122167 /nfs/dbraw/zinc/12/21/67/211122167.db2.gz IIVXPMFFOFGPET-LJQANCHMSA-N 1 0 378.480 2.549 50 0 GFAARO Cc1nc2ccc(C(=O)N3CCC[C@H]3CN3C[C@@H](C)O[C@@H](C)C3)cc2nc1C ZINC000072274588 211083501 /nfs/dbraw/zinc/08/35/01/211083501.db2.gz PZAQTQHTCZQYLY-KHYOSLBOSA-N 1 0 382.508 2.960 50 0 GFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cn(Cc2ccccc2F)nn1 ZINC000072146670 211076037 /nfs/dbraw/zinc/07/60/37/211076037.db2.gz NLMRTLOXNMPOKG-INIZCTEOSA-N 1 0 393.466 2.642 50 0 GFAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3cnc(-c4cccc5ccccc54)nc3)C[C@H]2C[C@@H]1O ZINC000072162903 211080917 /nfs/dbraw/zinc/08/09/17/211080917.db2.gz UJONANRBAULLJG-MTIDIVMFSA-N 1 0 375.472 2.860 50 0 GFAARO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072169626 211079416 /nfs/dbraw/zinc/07/94/16/211079416.db2.gz VSGUACZPINNOAV-IBGZPJMESA-N 1 0 382.508 2.855 50 0 GFAARO O=c1cc(C[N@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)[nH]c(=O)[nH]1 ZINC000072151595 211077468 /nfs/dbraw/zinc/07/74/68/211077468.db2.gz ZWMNIZWPXWLNCT-CYBMUJFWSA-N 1 0 381.398 2.927 50 0 GFAARO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072141884 211073035 /nfs/dbraw/zinc/07/30/35/211073035.db2.gz AOLWVJHHAVZFOG-LJQANCHMSA-N 1 0 377.872 2.832 50 0 GFAARO CCN(CC)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072131858 211072591 /nfs/dbraw/zinc/07/25/91/211072591.db2.gz BKUAMDGKLQSHIZ-QFIPXVFZSA-N 1 0 393.531 2.877 50 0 GFAARO C[C@H](C1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)CC1)[NH+]1CCOCC1 ZINC000072131793 211072377 /nfs/dbraw/zinc/07/23/77/211072377.db2.gz GRQSQPKRHAGYHJ-OAHLLOKOSA-N 1 0 386.544 2.598 50 0 GFAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccccc3F)[nH+]c(C)n2)c1C ZINC000072119328 211069744 /nfs/dbraw/zinc/06/97/44/211069744.db2.gz JLRPSENGGIHQTF-UHFFFAOYSA-N 1 0 383.431 2.960 50 0 GFAARO CN(CC[NH+](C)C)C(=O)CC[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071763930 211060985 /nfs/dbraw/zinc/06/09/85/211060985.db2.gz KLRPMNWRTDWZSJ-DEOSSOPVSA-N 1 0 393.531 2.944 50 0 GFAARO COc1ccc(F)cc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071763721 211060648 /nfs/dbraw/zinc/06/06/48/211060648.db2.gz AWARPSYWEMNHOD-INIZCTEOSA-N 1 0 389.515 2.789 50 0 GFAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)[nH]n1 ZINC000071759578 211058086 /nfs/dbraw/zinc/05/80/86/211058086.db2.gz YIWWMSBSLPSDMD-HXUWFJFHSA-N 1 0 395.551 2.711 50 0 GFAARO O=C(NCc1ccoc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071738808 211054206 /nfs/dbraw/zinc/05/42/06/211054206.db2.gz WTWNMHOPYUPIFA-HXUWFJFHSA-N 1 0 382.508 2.667 50 0 GFAARO C[NH2+]CCN(C)C(=O)CC[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071738499 211053461 /nfs/dbraw/zinc/05/34/61/211053461.db2.gz IPBBADHUHUHOLU-HSZRJFAPSA-N 1 0 379.504 2.602 50 0 GFAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071498269 211048306 /nfs/dbraw/zinc/04/83/06/211048306.db2.gz CFASILGBFKJTOQ-GOSISDBHSA-N 1 0 386.540 2.591 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)C3Cc4ccccc4C3)cnn2c1 ZINC000067849878 211025515 /nfs/dbraw/zinc/02/55/15/211025515.db2.gz IKQZRVZOANJGHO-UHFFFAOYSA-N 1 0 377.492 2.811 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+]3CCC4(CCCC4)C3)C2=O)c1 ZINC000067851757 211024847 /nfs/dbraw/zinc/02/48/47/211024847.db2.gz BBJDILQRHMBNOV-JOCHJYFZSA-N 1 0 390.499 2.954 50 0 GFAARO C[C@H](C(N)=O)[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067850241 211024645 /nfs/dbraw/zinc/02/46/45/211024645.db2.gz PDMXHOFGGMBVDL-GFCCVEGCSA-N 1 0 390.875 2.691 50 0 GFAARO COc1ccc(-c2cn3c(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)csc3n2)cc1F ZINC000067755460 211019555 /nfs/dbraw/zinc/01/95/55/211019555.db2.gz ADVZBKHPPZTMQF-BETUJISGSA-N 1 0 386.452 2.787 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)n1 ZINC000067621508 211012125 /nfs/dbraw/zinc/01/21/25/211012125.db2.gz FZQYCOOMDFVKPV-UHFFFAOYSA-N 1 0 384.484 2.888 50 0 GFAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c(=O)c2C1 ZINC000067291772 211006331 /nfs/dbraw/zinc/00/63/31/211006331.db2.gz NYXQNTJIKINYDB-UHFFFAOYSA-N 1 0 394.447 2.959 50 0 GFAARO C[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000060156300 210926081 /nfs/dbraw/zinc/92/60/81/210926081.db2.gz SEYRUVGKFFAWJO-YJBOKZPZSA-N 1 0 377.916 2.930 50 0 GFAARO CC[NH+](CC)CCCNC(=O)[C@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944775 210606835 /nfs/dbraw/zinc/60/68/35/210606835.db2.gz BARLNIDZLKMLSY-ZDUSSCGKSA-N 1 0 398.429 2.824 50 0 GFAARO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000020998737 210373646 /nfs/dbraw/zinc/37/36/46/210373646.db2.gz SBJDLFQECAKTHI-JOCHJYFZSA-N 1 0 376.504 2.941 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCN(C(C)C)CC3)C2=O)cc1 ZINC000020539499 210345792 /nfs/dbraw/zinc/34/57/92/210345792.db2.gz RJWHCWSTVPDPFI-QHCPKHFHSA-N 1 0 387.568 2.690 50 0 GFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(OC)c1OC ZINC000020206831 210322659 /nfs/dbraw/zinc/32/26/59/210322659.db2.gz DMHGUYGQBPSKBX-KRWDZBQOSA-N 1 0 380.529 2.627 50 0 GFAARO C[C@@H](NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1)c1nc[nH]n1 ZINC000019836667 210301551 /nfs/dbraw/zinc/30/15/51/210301551.db2.gz IHPPBXRJYCGURC-MRXNPFEDSA-N 1 0 375.476 2.652 50 0 GFAARO CCOc1ccc(-n2nc3c(c2C)c(C)nnc3N2CCC[N@H+](C)CC2)cc1 ZINC000019797079 210298658 /nfs/dbraw/zinc/29/86/58/210298658.db2.gz JLAWHETZHKJJTQ-UHFFFAOYSA-N 1 0 380.496 2.973 50 0 GFAARO NC(=O)C1(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000011821418 221128943 /nfs/dbraw/zinc/12/89/43/221128943.db2.gz RTKMKWXOUUWBNT-IBGZPJMESA-N 1 0 398.551 2.720 50 0 GFAARO CC(C)/C=C/C(=O)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011821528 221129060 /nfs/dbraw/zinc/12/90/60/221129060.db2.gz UUCVXRRUYKVBDM-AATRIKPKSA-N 1 0 398.551 2.613 50 0 GFAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(Sc4nncn4C)o3)[C@H]2C1 ZINC000426401653 533433148 /nfs/dbraw/zinc/43/31/48/533433148.db2.gz FCKSLIHBHPJQPS-QIIPPGSGSA-N 1 0 378.498 2.718 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023262 136158637 /nfs/dbraw/zinc/15/86/37/136158637.db2.gz CPLGFKRSSDUHKV-SFHVURJKSA-N 1 0 399.514 2.957 50 0 GFAARO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1OC ZINC000070928714 136165318 /nfs/dbraw/zinc/16/53/18/136165318.db2.gz LFOZYRUCMNHYIF-UHFFFAOYSA-N 1 0 385.464 2.754 50 0 GFAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cnc(N5CCOCC5)nc4)C3)nc2c1 ZINC000072425262 136169881 /nfs/dbraw/zinc/16/98/81/136169881.db2.gz ZZBXBSNCVYFUJW-KRWDZBQOSA-N 1 0 378.480 2.569 50 0 GFAARO CN(Cc1cc2n(n1)CCN(c1cc[nH+]cc1)C2)Cc1noc2c1CCCC2 ZINC000072474053 136171272 /nfs/dbraw/zinc/17/12/72/136171272.db2.gz DCEBAFOSPTXVOI-UHFFFAOYSA-N 1 0 378.480 2.797 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(N(C)C)[nH+]1 ZINC000082230323 136174421 /nfs/dbraw/zinc/17/44/21/136174421.db2.gz SVJKNABGJHFIGU-UHFFFAOYSA-N 1 0 377.851 2.606 50 0 GFAARO CCCc1cc(N2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)nc(C)n1 ZINC000095523927 136181378 /nfs/dbraw/zinc/18/13/78/136181378.db2.gz SZTLKHPZZIBRTM-UHFFFAOYSA-N 1 0 380.540 2.924 50 0 GFAARO O=C(CCN1C(=O)COc2ccccc21)Nc1c[nH+]ccc1N1CCCCC1 ZINC000095958983 136182737 /nfs/dbraw/zinc/18/27/37/136182737.db2.gz DJBNJPWTYIWPQU-UHFFFAOYSA-N 1 0 380.448 2.826 50 0 GFAARO Cc1cc(N2CCC([NH2+]CCCn3ccnn3)CC2)nc(-c2ccccc2)n1 ZINC000096180557 136184946 /nfs/dbraw/zinc/18/49/46/136184946.db2.gz FIVIGPRGWPQLPR-UHFFFAOYSA-N 1 0 377.496 2.692 50 0 GFAARO CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC[NH+](CC)CC3)c2c1 ZINC000000938817 136193100 /nfs/dbraw/zinc/19/31/00/136193100.db2.gz ZFYIDXXCHWTYAI-UHFFFAOYSA-N 1 0 382.386 2.967 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426500300 534688896 /nfs/dbraw/zinc/68/88/96/534688896.db2.gz OUZWUHKCEMBUNE-SFHVURJKSA-N 1 0 394.523 2.508 50 0 GFAARO Cc1nn(-c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)c(C)c1Br ZINC000178579056 527519681 /nfs/dbraw/zinc/51/96/81/527519681.db2.gz IWRSLYXYMLOOPQ-ZDUSSCGKSA-N 1 0 377.286 2.672 50 0 GFAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426519358 528797697 /nfs/dbraw/zinc/79/76/97/528797697.db2.gz WOHIIFJUXBEAJG-OAQYLSRUSA-N 1 0 393.478 2.646 50 0 GFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC000426722696 529049534 /nfs/dbraw/zinc/04/95/34/529049534.db2.gz UBTHRANQTJFDAB-IBGZPJMESA-N 1 0 376.520 2.775 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000426571663 529057873 /nfs/dbraw/zinc/05/78/73/529057873.db2.gz SBJYFVLDJPAXEZ-KRWDZBQOSA-N 1 0 380.483 2.522 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1 ZINC000107361526 535137868 /nfs/dbraw/zinc/13/78/68/535137868.db2.gz LZIVSHNPXFMHFQ-KZNAEPCWSA-N 1 0 389.544 2.795 50 0 GFAARO CCNC(=O)c1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000095510668 535430405 /nfs/dbraw/zinc/43/04/05/535430405.db2.gz GLUXXHKDWCZYFE-UHFFFAOYSA-N 1 0 387.871 2.839 50 0 GFAARO CC1CC[NH+](CCCNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000007728804 551101331 /nfs/dbraw/zinc/10/13/31/551101331.db2.gz KQYZPUAFQMWLHC-UHFFFAOYSA-N 1 0 375.332 2.849 50 0 GFAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022767134 551118395 /nfs/dbraw/zinc/11/83/95/551118395.db2.gz UXDJTDDIPIEVPO-QGZVFWFLSA-N 1 0 399.969 2.669 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2Br)on1 ZINC000155011011 551488734 /nfs/dbraw/zinc/48/87/34/551488734.db2.gz UBGXHUVYTAKIKO-LBPRGKRZSA-N 1 0 394.269 2.758 50 0 GFAARO CNc1nnc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)s1 ZINC000170595072 551635901 /nfs/dbraw/zinc/63/59/01/551635901.db2.gz SDKIRIHBIAENHE-UHFFFAOYSA-N 1 0 377.539 2.618 50 0 GFAARO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000188970870 552459692 /nfs/dbraw/zinc/45/96/92/552459692.db2.gz BQNGYOZWJBVZJJ-ZDUSSCGKSA-N 1 0 378.947 2.667 50 0 GFAARO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000237101772 553074857 /nfs/dbraw/zinc/07/48/57/553074857.db2.gz QDUWSIOEKHLYSW-UHFFFAOYSA-N 1 0 377.286 2.767 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000237199578 553076107 /nfs/dbraw/zinc/07/61/07/553076107.db2.gz OHLPVXQOQYASSV-IUCAKERBSA-N 1 0 397.722 2.611 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000237548231 553078879 /nfs/dbraw/zinc/07/88/79/553078879.db2.gz JPWMAGHQRAHVDJ-KCQAQPDRSA-N 1 0 394.313 2.530 50 0 GFAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[NH+]2CCOCC2)no1 ZINC000048287189 570227725 /nfs/dbraw/zinc/22/77/25/570227725.db2.gz OXVVQPMFPIRKKD-UHFFFAOYSA-N 1 0 390.509 2.513 50 0 GFAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000048312724 570236520 /nfs/dbraw/zinc/23/65/20/570236520.db2.gz UIAFYLGKGUKZJN-MRXNPFEDSA-N 1 0 397.441 2.607 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2CCSC2=O)C1 ZINC000048373979 570248806 /nfs/dbraw/zinc/24/88/06/570248806.db2.gz FLRKUFYSMTYWDT-HOTGVXAUSA-N 1 0 375.538 2.950 50 0 GFAARO COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCC(C)CC3)n2)cc1 ZINC000012234989 570276321 /nfs/dbraw/zinc/27/63/21/570276321.db2.gz UYJZMTGQRCJVPY-UHFFFAOYSA-N 1 0 384.484 2.697 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)C1 ZINC000006750680 570282332 /nfs/dbraw/zinc/28/23/32/570282332.db2.gz NKFYTCKZMLBWQW-ROUUACIJSA-N 1 0 394.519 2.738 50 0 GFAARO CN1CC2(CC[NH+](Cc3ccc(OCCCn4ccnc4)cc3)CC2)OC1=O ZINC000216236039 570297706 /nfs/dbraw/zinc/29/77/06/570297706.db2.gz IEKAAQGBLSGJDE-UHFFFAOYSA-N 1 0 384.480 2.769 50 0 GFAARO C[C@@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682322 570300101 /nfs/dbraw/zinc/30/01/01/570300101.db2.gz FNEUSGCVDYSIDQ-CQSZACIVSA-N 1 0 390.434 2.505 50 0 GFAARO Cc1cccc(C[NH+]2CCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)c1 ZINC000022815696 570329965 /nfs/dbraw/zinc/32/99/65/570329965.db2.gz SWLDWAOLTGQSII-UHFFFAOYSA-N 1 0 382.537 2.961 50 0 GFAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000218829351 570341726 /nfs/dbraw/zinc/34/17/26/570341726.db2.gz XCZPLKLSPFTTJK-ZZNNXKBLSA-N 1 0 381.455 2.757 50 0 GFAARO C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000035378012 570347550 /nfs/dbraw/zinc/34/75/50/570347550.db2.gz MGRDRDCNWXUTTI-JTSKRJEESA-N 1 0 391.515 2.817 50 0 GFAARO CCCC[N@H+](CC)CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004916260 570364966 /nfs/dbraw/zinc/36/49/66/570364966.db2.gz SLJCBZDJCRTMCD-UHFFFAOYSA-N 1 0 397.523 2.517 50 0 GFAARO Cc1ccc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004428164 570375056 /nfs/dbraw/zinc/37/50/56/570375056.db2.gz GKWCPILEDIIPBG-ZNKOEICNSA-N 1 0 397.563 2.988 50 0 GFAARO Cc1nc(C2CCN(C(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)CC2)cc(=O)[nH]1 ZINC000220142108 570382756 /nfs/dbraw/zinc/38/27/56/570382756.db2.gz UDBAIRDLLRUBPE-IBGZPJMESA-N 1 0 380.492 2.686 50 0 GFAARO COc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1 ZINC000004598945 570386768 /nfs/dbraw/zinc/38/67/68/570386768.db2.gz FQRMNRIBFZUIRQ-UHFFFAOYSA-N 1 0 387.455 2.994 50 0 GFAARO CCOc1c(I)cc(C[NH2+][C@@H](CC)CO)cc1OC ZINC000004670854 570391886 /nfs/dbraw/zinc/39/18/86/570391886.db2.gz RMMJAYHZDJQZTQ-NSHDSACASA-N 1 0 379.238 2.559 50 0 GFAARO O=S(=O)(Cc1ccccc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004703413 570395446 /nfs/dbraw/zinc/39/54/46/570395446.db2.gz KVQMWSXFCLILRY-UHFFFAOYSA-N 1 0 399.560 2.803 50 0 GFAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000051449893 570402872 /nfs/dbraw/zinc/40/28/72/570402872.db2.gz IVPZAELTOXFLLW-LJQANCHMSA-N 1 0 389.540 2.522 50 0 GFAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000025304760 570410391 /nfs/dbraw/zinc/41/03/91/570410391.db2.gz UTQMCFTYEBXKHV-LJQANCHMSA-N 1 0 388.533 2.654 50 0 GFAARO Cc1sc2nc(CN3CCOCC3)nc(NCC[NH+]3CCCC3)c2c1C ZINC000025373279 570412262 /nfs/dbraw/zinc/41/22/62/570412262.db2.gz SPFVMKLRHFGWJU-UHFFFAOYSA-N 1 0 375.542 2.648 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cn2)CC1 ZINC000026362398 570424997 /nfs/dbraw/zinc/42/49/97/570424997.db2.gz ITQFSZPCAOBPNQ-HXUWFJFHSA-N 1 0 396.491 2.644 50 0 GFAARO O=c1n2ccccc2nn1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026902871 570429621 /nfs/dbraw/zinc/42/96/21/570429621.db2.gz XWAVDAMKPFLPHP-UHFFFAOYSA-N 1 0 379.489 2.985 50 0 GFAARO Cc1cccc2c1ncn(CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c2=O ZINC000027150615 570432231 /nfs/dbraw/zinc/43/22/31/570432231.db2.gz AMUQMCLKMCVSKE-HXUWFJFHSA-N 1 0 392.503 2.904 50 0 GFAARO Cc1noc(C)c1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000252013382 570442000 /nfs/dbraw/zinc/44/20/00/570442000.db2.gz UHCOTWPPYFVWFL-IYARVYRRSA-N 1 0 375.513 2.800 50 0 GFAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000029788088 570479876 /nfs/dbraw/zinc/47/98/76/570479876.db2.gz WRZSABAPEVHHIX-CQSZACIVSA-N 1 0 381.542 2.557 50 0 GFAARO CC(C)OCCCNS(=O)(=O)c1ccc[n+](C/C=C/c2ccccc2)c1 ZINC000006563993 570483498 /nfs/dbraw/zinc/48/34/98/570483498.db2.gz AGZMMEAAZJLIBD-IZZDOVSWSA-N 1 0 375.514 2.781 50 0 GFAARO C[NH+]1CCN([C@@H](CNC(=O)NCc2ccc(F)cc2)c2ccsc2)CC1 ZINC000022767032 570544246 /nfs/dbraw/zinc/54/42/46/570544246.db2.gz WHGMGYOQRCQKJI-SFHVURJKSA-N 1 0 376.501 2.675 50 0 GFAARO CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035421976 570553269 /nfs/dbraw/zinc/55/32/69/570553269.db2.gz SMPINISMMIXPAH-UHFFFAOYSA-N 1 0 385.430 2.626 50 0 GFAARO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1C1CC[NH+](C)CC1 ZINC000012135697 570614068 /nfs/dbraw/zinc/61/40/68/570614068.db2.gz LPJQGHZQTHNDDW-MOPGFXCFSA-N 1 0 379.545 2.980 50 0 GFAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000012245733 570631068 /nfs/dbraw/zinc/63/10/68/570631068.db2.gz AQYNBCMJRNQFBP-QGZVFWFLSA-N 1 0 399.539 2.674 50 0 GFAARO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](C3CCN(c4ccccc4)CC3)C2)CC1 ZINC000012307542 570639828 /nfs/dbraw/zinc/63/98/28/570639828.db2.gz QMSOULRWDVPGCR-OAQYLSRUSA-N 1 0 398.595 2.922 50 0 GFAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000012320565 570642910 /nfs/dbraw/zinc/64/29/10/570642910.db2.gz WWINMTGXBYQKLR-KRWDZBQOSA-N 1 0 389.521 2.589 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCOC1=O ZINC000012385410 570650257 /nfs/dbraw/zinc/65/02/57/570650257.db2.gz TYDSSTBTRXTWCO-KRWDZBQOSA-N 1 0 393.915 2.505 50 0 GFAARO Cc1nc2ncccn2c1C(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012433527 570660985 /nfs/dbraw/zinc/66/09/85/570660985.db2.gz PQBSYMAGCHEWBA-IBGZPJMESA-N 1 0 377.492 2.817 50 0 GFAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)Cn2cncn2)CC1 ZINC000012458689 570670350 /nfs/dbraw/zinc/67/03/50/570670350.db2.gz JBNLQSOTJMOSND-UHFFFAOYSA-N 1 0 399.539 2.684 50 0 GFAARO COc1ccc(NC(=O)CC(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)c(OC)c1 ZINC000055042433 570680230 /nfs/dbraw/zinc/68/02/30/570680230.db2.gz JEBRVRNIJNCIGD-IBGZPJMESA-N 1 0 399.491 2.794 50 0 GFAARO CCc1nn2c(nc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)cc2=O)s1 ZINC000244828622 570697145 /nfs/dbraw/zinc/69/71/45/570697145.db2.gz TZRCVYLQTLIIQG-UHFFFAOYSA-N 1 0 380.477 2.531 50 0 GFAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000244866467 570697996 /nfs/dbraw/zinc/69/79/96/570697996.db2.gz VWRKWUIHONNNEN-UHFFFAOYSA-N 1 0 375.476 2.796 50 0 GFAARO C[NH+](C)CCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359343 570701531 /nfs/dbraw/zinc/70/15/31/570701531.db2.gz BSBTYVXMGABACG-UHFFFAOYSA-N 1 0 399.472 2.999 50 0 GFAARO OCCOCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000247738358 570716144 /nfs/dbraw/zinc/71/61/44/570716144.db2.gz MGMILHJCBREPBZ-UHFFFAOYSA-N 1 0 386.883 2.745 50 0 GFAARO Cc1nc(-c2cccnc2SCC(=O)NCC[NH+]2CCCCCC2)no1 ZINC000065211178 570730930 /nfs/dbraw/zinc/73/09/30/570730930.db2.gz NGCPTQQTGPELDM-UHFFFAOYSA-N 1 0 375.498 2.524 50 0 GFAARO CC(C)N1C(=O)CN(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000058434811 570733516 /nfs/dbraw/zinc/73/35/16/570733516.db2.gz PGLRUKDRJIMHRN-UHFFFAOYSA-N 1 0 380.492 2.588 50 0 GFAARO CC(C)N1c2ccc(C(=O)NCC[NH+](C)C)cc2Sc2ncccc2C1=O ZINC000065241440 570745759 /nfs/dbraw/zinc/74/57/59/570745759.db2.gz POGYNZVDCLVFDX-UHFFFAOYSA-N 1 0 384.505 2.893 50 0 GFAARO CCc1c(C)nn(C)c1NC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000065506262 570771045 /nfs/dbraw/zinc/77/10/45/570771045.db2.gz GNZABDXONNKWTF-LJQANCHMSA-N 1 0 381.524 2.823 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000007308901 570828184 /nfs/dbraw/zinc/82/81/84/570828184.db2.gz GAXIQECNJBFJQO-UHFFFAOYSA-N 1 0 392.503 2.907 50 0 GFAARO C[NH+](C)CCNc1c(=O)c(=O)c1NCCC(c1ccccc1)c1ccccc1 ZINC000101698434 570829118 /nfs/dbraw/zinc/82/91/18/570829118.db2.gz FRWFYEPOBXCTPX-UHFFFAOYSA-N 1 0 377.488 2.890 50 0 GFAARO CC(C)C[NH+](CCNC(=O)CN1N=C(c2ccccc2)CCC1=O)CC(C)C ZINC000004688159 570834070 /nfs/dbraw/zinc/83/40/70/570834070.db2.gz DNXVXMIAILSCHM-UHFFFAOYSA-N 1 0 386.540 2.743 50 0 GFAARO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000065553622 570834478 /nfs/dbraw/zinc/83/44/78/570834478.db2.gz IDUFXONNLGAFSD-KRWDZBQOSA-N 1 0 395.463 2.890 50 0 GFAARO CC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000170598316 570856490 /nfs/dbraw/zinc/85/64/90/570856490.db2.gz JAJCZQXZAYSHGL-MGPUTAFESA-N 1 0 389.521 2.923 50 0 GFAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012581650 570878316 /nfs/dbraw/zinc/87/83/16/570878316.db2.gz SLYMGJMCQNXFDM-GJZGRUSLSA-N 1 0 378.542 2.962 50 0 GFAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000033264244 570882906 /nfs/dbraw/zinc/88/29/06/570882906.db2.gz LKWRUTXHVATSGK-FQEVSTJZSA-N 1 0 386.540 2.762 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1 ZINC000534582480 570903699 /nfs/dbraw/zinc/90/36/99/570903699.db2.gz AGLPTBSTFOTGAR-UHFFFAOYSA-N 1 0 378.476 2.938 50 0 GFAARO COc1cn(CC(=O)NC2CCCCC2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974447 570920641 /nfs/dbraw/zinc/92/06/41/570920641.db2.gz RIKQWYZBBXJJEC-UHFFFAOYSA-N 1 0 375.513 2.682 50 0 GFAARO CCOc1cc(C[NH2+][C@@H]2C[C@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000105437936 570924901 /nfs/dbraw/zinc/92/49/01/570924901.db2.gz ZTPWPRKJFHXGFA-BXUZGUMPSA-N 1 0 385.302 2.813 50 0 GFAARO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000032916526 570927789 /nfs/dbraw/zinc/92/77/89/570927789.db2.gz XIUOAURTEXERRK-UHFFFAOYSA-N 1 0 390.521 2.831 50 0 GFAARO O=C(CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)NCc1cccs1 ZINC000047262113 570950488 /nfs/dbraw/zinc/95/04/88/570950488.db2.gz QGZSPNHGMFYACH-CYBMUJFWSA-N 1 0 392.912 2.763 50 0 GFAARO CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@@H](C)C[NH+](C)C ZINC000252497267 570975662 /nfs/dbraw/zinc/97/56/62/570975662.db2.gz QCSGVAVOJMNAFU-KRWDZBQOSA-N 1 0 377.529 2.864 50 0 GFAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000004784070 570988074 /nfs/dbraw/zinc/98/80/74/570988074.db2.gz VVQGQKAJYFPTEC-UHFFFAOYSA-N 1 0 395.459 2.656 50 0 GFAARO COCCN1CC(=O)N(C[C@H]2CCC[N@H+](C)[C@H]2c2cccc(Cl)c2)C1=O ZINC000252535706 570990403 /nfs/dbraw/zinc/99/04/03/570990403.db2.gz GQRLDGJQMFOVPI-QAPCUYQASA-N 1 0 379.888 2.634 50 0 GFAARO CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000252551869 570995463 /nfs/dbraw/zinc/99/54/63/570995463.db2.gz UILQDBUCBSIMBV-LJQANCHMSA-N 1 0 390.528 2.677 50 0 GFAARO CS[C@@H]1CCC[C@H]1N(C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000170690279 571011232 /nfs/dbraw/zinc/01/12/32/571011232.db2.gz LQRLJCKJYVPJTI-WOJBJXKFSA-N 1 0 390.597 2.860 50 0 GFAARO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)Nc1nccn1Cc1ccc(Br)cc1 ZINC000888101813 663178380 /nfs/dbraw/zinc/17/83/80/663178380.db2.gz PFDBIXJKERLJDM-DZGCQCFKSA-N 1 0 395.276 2.970 50 0 GFAARO Cn1cc(-c2cccc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)c2)cn1 ZINC000426359520 231206935 /nfs/dbraw/zinc/20/69/35/231206935.db2.gz AZRZDEMTLOOVBR-UHFFFAOYSA-N 1 0 375.476 2.877 50 0 GFAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000426495556 231230259 /nfs/dbraw/zinc/23/02/59/231230259.db2.gz CMCFJWUUGIEBCE-NRFANRHFSA-N 1 0 381.524 2.969 50 0 GFAARO Cc1ccc(C)c([C@H](C)NC(=O)CSc2nnc(C3CC[NH2+]CC3)n2C)c1 ZINC000426535910 231237035 /nfs/dbraw/zinc/23/70/35/231237035.db2.gz PYDNNLXYRPIQKJ-HNNXBMFYSA-N 1 0 387.553 2.868 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)CC1 ZINC000019227198 210234004 /nfs/dbraw/zinc/23/40/04/210234004.db2.gz CBVHPVIBZVPSHG-KRWDZBQOSA-N 1 0 399.501 2.845 50 0 GFAARO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017077624 210201147 /nfs/dbraw/zinc/20/11/47/210201147.db2.gz XYUGYJFVVUTEEL-UHFFFAOYSA-N 1 0 379.526 2.567 50 0 GFAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(CC[NH+](C)C)C3=O ZINC000016749918 210196907 /nfs/dbraw/zinc/19/69/07/210196907.db2.gz WFXYLYSBCCXISF-LJQANCHMSA-N 1 0 378.428 2.914 50 0 GFAARO Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1 ZINC000015728186 210164688 /nfs/dbraw/zinc/16/46/88/210164688.db2.gz KJLDPNWYVRQSES-UHFFFAOYSA-N 1 0 382.537 2.679 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)C1 ZINC000015677465 210162659 /nfs/dbraw/zinc/16/26/59/210162659.db2.gz MNTZWHSUQJSUNI-CALCHBBNSA-N 1 0 396.535 2.831 50 0 GFAARO COC[C@@H](C)[NH+]1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000015079868 210153263 /nfs/dbraw/zinc/15/32/63/210153263.db2.gz ZVTMZYPEQBUSJA-MRXNPFEDSA-N 1 0 376.497 2.809 50 0 GFAARO CN1CCCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC12CC[NH2+]CC2 ZINC000426435330 530053658 /nfs/dbraw/zinc/05/36/58/530053658.db2.gz GYXZCISKFXWBKB-UHFFFAOYSA-N 1 0 379.504 2.959 50 0 GFAARO O=C(NCCCO)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000015062741 210144847 /nfs/dbraw/zinc/14/48/47/210144847.db2.gz UCIOZZUABTYTBK-UHFFFAOYSA-N 1 0 382.504 2.885 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000014951942 210130899 /nfs/dbraw/zinc/13/08/99/210130899.db2.gz OILNJVWALFDHCU-FQEVSTJZSA-N 1 0 378.394 2.747 50 0 GFAARO COc1cc(C[NH+]2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)ccc1O ZINC000014884468 210129500 /nfs/dbraw/zinc/12/95/00/210129500.db2.gz VNSMZMWSUAWLLM-UHFFFAOYSA-N 1 0 399.495 2.502 50 0 GFAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccccn4)CC3)C2=O)cc1 ZINC000014746735 210127872 /nfs/dbraw/zinc/12/78/72/210127872.db2.gz RQYMNBGGYWNFHW-UHFFFAOYSA-N 1 0 394.475 2.519 50 0 GFAARO COc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1 ZINC000014733191 210124648 /nfs/dbraw/zinc/12/46/48/210124648.db2.gz GWQKPVLHIRPUHX-QGZVFWFLSA-N 1 0 382.508 2.702 50 0 GFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000014741653 210124201 /nfs/dbraw/zinc/12/42/01/210124201.db2.gz WTTWMFKXUHLCDG-MRXNPFEDSA-N 1 0 393.466 2.531 50 0 GFAARO Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+](CCCc1ccccc1)C2 ZINC000014535457 210119420 /nfs/dbraw/zinc/11/94/20/210119420.db2.gz JOJIXJWCUHTPJA-UHFFFAOYSA-N 1 0 389.503 2.736 50 0 GFAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCc1ccccc1)CC2 ZINC000014537666 210118411 /nfs/dbraw/zinc/11/84/11/210118411.db2.gz UCCRBETWGCIHBI-SFHVURJKSA-N 1 0 392.503 2.975 50 0 GFAARO CC(C)OCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014535743 210118915 /nfs/dbraw/zinc/11/89/15/210118915.db2.gz PSVXRUZDCACXFY-IBGZPJMESA-N 1 0 398.551 2.895 50 0 GFAARO CC(C)n1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2c1=O ZINC000014171775 210107222 /nfs/dbraw/zinc/10/72/22/210107222.db2.gz BWUKYEQKHQSGMY-GOSISDBHSA-N 1 0 390.487 2.982 50 0 GFAARO COc1cc(C[NH2+]CCCCCO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013727342 210084067 /nfs/dbraw/zinc/08/40/67/210084067.db2.gz WMHVNSOFBWMBBT-UHFFFAOYSA-N 1 0 383.452 2.715 50 0 GFAARO COc1cccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000013550563 210067502 /nfs/dbraw/zinc/06/75/02/210067502.db2.gz DMRXUCVRCSMMLX-UHFFFAOYSA-N 1 0 376.460 2.768 50 0 GFAARO COc1cccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)[NH+](C)C)c1 ZINC000013056128 210048741 /nfs/dbraw/zinc/04/87/41/210048741.db2.gz MQOXPTCQSRIATO-QGZVFWFLSA-N 1 0 387.505 2.691 50 0 GFAARO CC(=O)N1CCc2cc(NC(=O)C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)ccc21 ZINC000013020113 210046921 /nfs/dbraw/zinc/04/69/21/210046921.db2.gz VZSPGBIXTKMANQ-AWEZNQCLSA-N 1 0 395.459 2.656 50 0 GFAARO Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000012987213 210042474 /nfs/dbraw/zinc/04/24/74/210042474.db2.gz GZKKWAGTFCNASD-GOSISDBHSA-N 1 0 395.532 2.961 50 0 GFAARO O=C(CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012791646 210009998 /nfs/dbraw/zinc/00/99/98/210009998.db2.gz WQNSHYGZOAUEOB-UHFFFAOYSA-N 1 0 395.459 2.555 50 0 GFAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)s1 ZINC000012590554 209981377 /nfs/dbraw/zinc/98/13/77/209981377.db2.gz DOCCGLSCQCTWIO-KRWDZBQOSA-N 1 0 389.565 2.786 50 0 GFAARO CCOC(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2F)CC1 ZINC000011664471 209878969 /nfs/dbraw/zinc/87/89/69/209878969.db2.gz MZIYSTCUNGTIEW-UHFFFAOYSA-N 1 0 376.432 2.935 50 0 GFAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009451317 209272639 /nfs/dbraw/zinc/27/26/39/209272639.db2.gz JQLZTZXZYACGOQ-RTBURBONSA-N 1 0 381.476 2.562 50 0 GFAARO Cc1cc(N2CCC(CNC(=O)C(=O)NCCC3=CCCCC3)CC2)cc[nH+]1 ZINC000240104238 209215282 /nfs/dbraw/zinc/21/52/82/209215282.db2.gz UMUQRFMAZHMPIZ-UHFFFAOYSA-N 1 0 384.524 2.729 50 0 GFAARO CCCC(=O)Nc1cccc(NC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)c1 ZINC000299789881 212039075 /nfs/dbraw/zinc/03/90/75/212039075.db2.gz AHEXYPCKJFLLGP-UHFFFAOYSA-N 1 0 388.512 2.880 50 0 GFAARO c1cncc(CN2CCN(Cc3ccc(OC[C@@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000299776823 212035900 /nfs/dbraw/zinc/03/59/00/212035900.db2.gz DJNKDUVZYBQVRO-JOCHJYFZSA-N 1 0 380.536 2.778 50 0 GFAARO Cc1nn2cc(CNC(=O)[C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)nc2s1 ZINC000299778763 212035675 /nfs/dbraw/zinc/03/56/75/212035675.db2.gz NLTMYGAIGHTFDW-KSZLIROESA-N 1 0 381.505 2.941 50 0 GFAARO Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225565674 211906197 /nfs/dbraw/zinc/90/61/97/211906197.db2.gz MWUANGHDHYTLMC-UHFFFAOYSA-N 1 0 393.915 2.594 50 0 GFAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000012384388 211683348 /nfs/dbraw/zinc/68/33/48/211683348.db2.gz AYBGXBXUZIHJMM-KRWDZBQOSA-N 1 0 381.513 2.595 50 0 GFAARO CCc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)cnn1-c1ccc(C)cc1 ZINC000108089292 211383467 /nfs/dbraw/zinc/38/34/67/211383467.db2.gz QYDGYDQWNNKRBT-ROUUACIJSA-N 1 0 384.524 2.660 50 0 GFAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2 ZINC000097636725 211369527 /nfs/dbraw/zinc/36/95/27/211369527.db2.gz YHSZVAICABWFDR-QGZVFWFLSA-N 1 0 382.512 2.509 50 0 GFAARO O=C(c1ccon1)N1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](CO)C1 ZINC000097307513 211362744 /nfs/dbraw/zinc/36/27/44/211362744.db2.gz TVFSVRFIFJVIMR-QGZVFWFLSA-N 1 0 387.455 2.551 50 0 GFAARO COC(=O)[C@H](Cc1cc(-c2ccccc2Cl)on1)CN1CC[NH+](C)CC1 ZINC000096316087 211333867 /nfs/dbraw/zinc/33/38/67/211333867.db2.gz BJVQSBIYDWRSHH-CQSZACIVSA-N 1 0 377.872 2.574 50 0 GFAARO O=C(C[NH+]1CCCC1)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000096164499 211317001 /nfs/dbraw/zinc/31/70/01/211317001.db2.gz DJKCKNIYAHPUDN-OAQYLSRUSA-N 1 0 395.547 2.870 50 0 GFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000096151289 211312543 /nfs/dbraw/zinc/31/25/43/211312543.db2.gz NXYZIXKVKUHZDY-FQEVSTJZSA-N 1 0 391.581 2.919 50 0 GFAARO Cc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)n1 ZINC000096151999 211311674 /nfs/dbraw/zinc/31/16/74/211311674.db2.gz PKPHHLNFZWDPRS-UHFFFAOYSA-N 1 0 377.496 2.941 50 0 GFAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000096151708 211311412 /nfs/dbraw/zinc/31/14/12/211311412.db2.gz UGENLBKQOGHYOY-UHFFFAOYSA-N 1 0 393.539 2.925 50 0 GFAARO Cc1ccc(NC(=O)[C@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000096014165 211294098 /nfs/dbraw/zinc/29/40/98/211294098.db2.gz MIDCDYHLHPUWPF-SFHVURJKSA-N 1 0 390.547 2.811 50 0 GFAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000096139565 211306925 /nfs/dbraw/zinc/30/69/25/211306925.db2.gz IBXRSMZNWILURR-UHFFFAOYSA-N 1 0 376.501 2.776 50 0 GFAARO Cc1c([C@@H](C)[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 ZINC000095996195 211292167 /nfs/dbraw/zinc/29/21/67/211292167.db2.gz ASLHZULZYOICOS-CJNGLKHVSA-N 1 0 399.445 2.849 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1 ZINC000095529823 211275763 /nfs/dbraw/zinc/27/57/63/211275763.db2.gz BDZQGZCLGUQWBJ-HXUWFJFHSA-N 1 0 378.476 2.703 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCc3ccccc3C1)CC2 ZINC000095520635 211268091 /nfs/dbraw/zinc/26/80/91/211268091.db2.gz YUBVNGPCRUNYBF-LJQANCHMSA-N 1 0 378.520 2.911 50 0 GFAARO CC(C)(C(=O)N1CCc2ccc(NC(=O)[C@H]3CCCO3)cc2C1)[NH+]1CCCC1 ZINC000095522191 211266133 /nfs/dbraw/zinc/26/61/33/211266133.db2.gz ZRHXAHRQHWIFHE-LJQANCHMSA-N 1 0 385.508 2.563 50 0 GFAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ncc(F)cc1F)CC2 ZINC000095518705 211265281 /nfs/dbraw/zinc/26/52/81/211265281.db2.gz CNXOXIUYFHSKSD-UHFFFAOYSA-N 1 0 389.450 2.729 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095503997 211255927 /nfs/dbraw/zinc/25/59/27/211255927.db2.gz NEAVYGDGMQERJF-XJKSGUPXSA-N 1 0 375.469 2.914 50 0 GFAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnccn1 ZINC000095502502 211255796 /nfs/dbraw/zinc/25/57/96/211255796.db2.gz YCBKDCWQOVUFEG-IBGZPJMESA-N 1 0 382.508 2.902 50 0 GFAARO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095502778 211255506 /nfs/dbraw/zinc/25/55/06/211255506.db2.gz WJMGHBCEHZACSI-QGZVFWFLSA-N 1 0 387.553 2.970 50 0 GFAARO CCCn1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(C)n1 ZINC000095499123 211253824 /nfs/dbraw/zinc/25/38/24/211253824.db2.gz IXGIWPRJCARQFR-UHFFFAOYSA-N 1 0 396.539 2.611 50 0 GFAARO C[C@@H](CO)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095499231 211253738 /nfs/dbraw/zinc/25/37/38/211253738.db2.gz ZLEUNTKEUZKCSP-SFHVURJKSA-N 1 0 382.504 2.883 50 0 GFAARO CCc1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095358462 211223186 /nfs/dbraw/zinc/22/31/86/211223186.db2.gz ZWXUDOUNLAACMD-KSEOMHKRSA-N 1 0 392.503 2.750 50 0 GFAARO CCN1CC[NH+](C[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@@H]2CO)CC1 ZINC000095384060 211235525 /nfs/dbraw/zinc/23/55/25/211235525.db2.gz FUTMPEFSIHABQW-IAGOWNOFSA-N 1 0 388.943 2.570 50 0 GFAARO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000095379169 211232189 /nfs/dbraw/zinc/23/21/89/211232189.db2.gz UPMGBKQBEHZDQI-IEBWSBKVSA-N 1 0 379.460 2.589 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1nc(-c3ccccc3)oc1C)C2 ZINC000095379166 211231440 /nfs/dbraw/zinc/23/14/40/211231440.db2.gz BJWDPVKFZXYVSF-IEBWSBKVSA-N 1 0 383.492 2.762 50 0 GFAARO CCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095373289 211230559 /nfs/dbraw/zinc/23/05/59/211230559.db2.gz YJMJIUFIVDIWGI-FXAWDEMLSA-N 1 0 378.520 2.915 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000095357195 211221503 /nfs/dbraw/zinc/22/15/03/211221503.db2.gz QXBOFGKRIRJFNA-UHFFFAOYSA-N 1 0 388.487 2.759 50 0 GFAARO COc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000092098095 211217038 /nfs/dbraw/zinc/21/70/38/211217038.db2.gz WCXGZXYLDXHHLO-UHFFFAOYSA-N 1 0 380.492 2.704 50 0 GFAARO CC(C)n1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cn1 ZINC000092037928 211215251 /nfs/dbraw/zinc/21/52/51/211215251.db2.gz IDLHDGUKDYWKLW-NRFANRHFSA-N 1 0 384.528 2.634 50 0 GFAARO CN(C(=O)c1cnc(-c2ccccc2)[nH]c1=O)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000091664626 211201931 /nfs/dbraw/zinc/20/19/31/211201931.db2.gz BVZGWOYEGADNSR-IBGZPJMESA-N 1 0 376.460 2.812 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000091871288 211208068 /nfs/dbraw/zinc/20/80/68/211208068.db2.gz QFWLHDCDTQPCLO-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(Cc4ccccc4F)C3)n2)CC1 ZINC000091444973 211192925 /nfs/dbraw/zinc/19/29/25/211192925.db2.gz NSAKPZNSOQKYSM-QGZVFWFLSA-N 1 0 386.471 2.999 50 0 GFAARO COCCC[NH+]1CCC(NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000089410259 211179273 /nfs/dbraw/zinc/17/92/73/211179273.db2.gz OVERUJCTSCWONJ-UHFFFAOYSA-N 1 0 375.296 2.989 50 0 GFAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3cc(=O)[nH]c4ccccc43)cc2C1 ZINC000082126838 211161189 /nfs/dbraw/zinc/16/11/89/211161189.db2.gz MNGDPFZMQWDSHU-UHFFFAOYSA-N 1 0 393.491 2.516 50 0 GFAARO C[C@@H](CC[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000078998848 211151117 /nfs/dbraw/zinc/15/11/17/211151117.db2.gz GMQVFTJGQAMUBN-SFHVURJKSA-N 1 0 388.533 2.991 50 0 GFAARO CCC(CC)CN1CC2(CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)OC1=O ZINC000077406050 211131819 /nfs/dbraw/zinc/13/18/19/211131819.db2.gz FTTRCVZOQKEKLZ-QGZVFWFLSA-N 1 0 377.529 2.626 50 0 GFAARO CCc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cn1 ZINC000072438847 211119379 /nfs/dbraw/zinc/11/93/79/211119379.db2.gz KTJQCIJPSSLXFI-JOCHJYFZSA-N 1 0 379.508 2.839 50 0 GFAARO C[C@H](Cn1cccn1)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072410849 211114018 /nfs/dbraw/zinc/11/40/18/211114018.db2.gz CLGVNCHKKZDDQP-GOSISDBHSA-N 1 0 384.480 2.637 50 0 GFAARO O=C(c1cnc2ccccn12)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072150596 211076654 /nfs/dbraw/zinc/07/66/54/211076654.db2.gz GMOZFKXADLEFJC-VLCRHTCISA-N 1 0 388.471 2.742 50 0 GFAARO COCCn1cncc1C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072148116 211076353 /nfs/dbraw/zinc/07/63/53/211076353.db2.gz NIFWOXBIBXKIAQ-YPAWHYETSA-N 1 0 384.499 2.731 50 0 GFAARO CCO[C@H]1[C@H](NC(=O)CCc2cccnc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165713 211080374 /nfs/dbraw/zinc/08/03/74/211080374.db2.gz USGDDSRLDGXHHO-YADHBBJMSA-N 1 0 379.504 2.912 50 0 GFAARO COc1cccc(-c2cn([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)nn2)c1 ZINC000072138938 211074328 /nfs/dbraw/zinc/07/43/28/211074328.db2.gz KRLSHDOFAIHQFA-RTWAWAEBSA-N 1 0 376.460 2.539 50 0 GFAARO Cc1nc2cc(OCc3nc(C(=O)N4CC[C@H]([NH+](C)C)C4)co3)ccc2s1 ZINC000071747767 211053419 /nfs/dbraw/zinc/05/34/19/211053419.db2.gz SFKFLKRUGPYZDF-ZDUSSCGKSA-N 1 0 386.477 2.948 50 0 GFAARO CC(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745421 211053467 /nfs/dbraw/zinc/05/34/67/211053467.db2.gz SJLACNQTNUXIOT-LJQANCHMSA-N 1 0 375.488 2.507 50 0 GFAARO COc1ccc(F)c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071738753 211052802 /nfs/dbraw/zinc/05/28/02/211052802.db2.gz UHKVMJHRIGLTNW-MRXNPFEDSA-N 1 0 389.515 2.789 50 0 GFAARO O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071738807 211052915 /nfs/dbraw/zinc/05/29/15/211052915.db2.gz WTWNMHOPYUPIFA-FQEVSTJZSA-N 1 0 382.508 2.667 50 0 GFAARO C[C@@H]1C[NH+](CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@@H](C)O1 ZINC000070006674 211039929 /nfs/dbraw/zinc/03/99/29/211039929.db2.gz YZMIMIXHELCFDH-HZPDHXFCSA-N 1 0 385.512 2.776 50 0 GFAARO O=C1N[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1nccs1 ZINC000067955336 211030465 /nfs/dbraw/zinc/03/04/65/211030465.db2.gz NQDNRHGYPXCYOR-NRFANRHFSA-N 1 0 398.532 2.956 50 0 GFAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069208380 211035909 /nfs/dbraw/zinc/03/59/09/211035909.db2.gz IWNPOKCRHAQPAA-GDIGMMSISA-N 1 0 378.467 2.717 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1O ZINC000067803129 211023280 /nfs/dbraw/zinc/02/32/80/211023280.db2.gz AHMOQETXAJRUPS-LJQANCHMSA-N 1 0 399.535 2.640 50 0 GFAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cnc1C ZINC000067851289 211025102 /nfs/dbraw/zinc/02/51/02/211025102.db2.gz HTFCQHLSSTYYGT-OAQYLSRUSA-N 1 0 389.446 2.620 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3C)CC2)C1 ZINC000067739395 211019376 /nfs/dbraw/zinc/01/93/76/211019376.db2.gz MCYNVDXPQWFYJZ-IBGZPJMESA-N 1 0 391.531 2.573 50 0 GFAARO CN(Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000067696028 211017601 /nfs/dbraw/zinc/01/76/01/211017601.db2.gz GQQZGAKHWVBVRT-LJQANCHMSA-N 1 0 375.476 2.635 50 0 GFAARO CCNc1nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc(C)[nH+]1 ZINC000067630268 211013301 /nfs/dbraw/zinc/01/33/01/211013301.db2.gz YTFIDTHRAOWMGG-UHFFFAOYSA-N 1 0 394.273 2.535 50 0 GFAARO C[C@@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC000058405530 210918985 /nfs/dbraw/zinc/91/89/85/210918985.db2.gz JAKCPTIFMQUYSZ-HOTGVXAUSA-N 1 0 380.483 2.965 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)C1 ZINC000299740447 210821705 /nfs/dbraw/zinc/82/17/05/210821705.db2.gz ZYDYUYZSGJYJBA-CQSZACIVSA-N 1 0 395.429 2.513 50 0 GFAARO CC(C)C[C@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[NH+]1CCCC1 ZINC000040120969 210775665 /nfs/dbraw/zinc/77/56/65/210775665.db2.gz XSAGRKUPGSSVCM-LJQANCHMSA-N 1 0 384.524 2.792 50 0 GFAARO CCc1ccc([C@H]([NH2+]CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 ZINC000024747470 210470169 /nfs/dbraw/zinc/47/01/69/210470169.db2.gz DRMFFKOGFRYAJI-IFMALSPDSA-N 1 0 395.503 2.815 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535456 210385779 /nfs/dbraw/zinc/38/57/79/210385779.db2.gz IICWDQDEWMWPSU-UHFFFAOYSA-N 1 0 388.541 2.535 50 0 GFAARO Oc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000021275439 210380349 /nfs/dbraw/zinc/38/03/49/210380349.db2.gz JDOGLOQVBOISBE-KRWDZBQOSA-N 1 0 376.884 2.745 50 0 GFAARO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN(CC[NH+]2CCCC2)CC1 ZINC000020668979 210355687 /nfs/dbraw/zinc/35/56/87/210355687.db2.gz PBXRZSAIQYWPSB-UHFFFAOYSA-N 1 0 388.519 2.910 50 0 GFAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC(F)(F)F)CC3)CC2)n1 ZINC000020862732 210364515 /nfs/dbraw/zinc/36/45/15/210364515.db2.gz RPAQBQFTGWFBKG-UHFFFAOYSA-N 1 0 398.473 2.745 50 0 GFAARO CCOc1ccc(N2C(=O)c3ccccc3/C(=C\NCC[NH+](C)C)C2=O)cc1 ZINC000020815747 210362466 /nfs/dbraw/zinc/36/24/66/210362466.db2.gz FEEBEIJKGSKJMM-HMMYKYKNSA-N 1 0 379.460 2.764 50 0 GFAARO OCC[C@H]1CN(Cc2cccc3nonc32)CC[N@@H+]1CCCc1ccccc1 ZINC000020598455 210350636 /nfs/dbraw/zinc/35/06/36/210350636.db2.gz BHNQPJPMOXMXMT-FQEVSTJZSA-N 1 0 380.492 2.724 50 0 GFAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C ZINC000020706622 210355112 /nfs/dbraw/zinc/35/51/12/210355112.db2.gz JGAWXTKEIOZUIC-UHFFFAOYSA-N 1 0 377.492 2.881 50 0 GFAARO CC[NH+]1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441804 210333032 /nfs/dbraw/zinc/33/30/32/210333032.db2.gz UOIPUVKKBLCBKB-ROUUACIJSA-N 1 0 385.961 2.567 50 0 GFAARO Cc1ncc2c(c1-c1noc(-c3ccoc3)n1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000019852985 210303086 /nfs/dbraw/zinc/30/30/86/210303086.db2.gz ORSLMNXPOALKEX-KRWDZBQOSA-N 1 0 393.447 2.679 50 0 GFAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000019782467 210295798 /nfs/dbraw/zinc/29/57/98/210295798.db2.gz MYMWMEKHLYUVLQ-KRWDZBQOSA-N 1 0 386.835 2.938 50 0 GFAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)NC1CCC1 ZINC000011934661 221139720 /nfs/dbraw/zinc/13/97/20/221139720.db2.gz UBORSXXJHYPCJJ-QFIPXVFZSA-N 1 0 391.515 2.678 50 0 GFAARO c1ccc2c(c1)nc(-c1ccncc1)nc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000040040262 132392749 /nfs/dbraw/zinc/39/27/49/132392749.db2.gz VQTLPVMXVGFPTM-SFHVURJKSA-N 1 0 375.476 2.993 50 0 GFAARO Cc1noc(C)c1CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058167764 136154770 /nfs/dbraw/zinc/15/47/70/136154770.db2.gz RIJWDJXTWJIPJW-AWEZNQCLSA-N 1 0 388.487 2.992 50 0 GFAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000064450183 136156631 /nfs/dbraw/zinc/15/66/31/136156631.db2.gz QRDJWSVJDCMZCY-UHFFFAOYSA-N 1 0 393.413 2.832 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3cc(N(C)C)ncn3)C2)cc1OC ZINC000072474461 136171413 /nfs/dbraw/zinc/17/14/13/136171413.db2.gz MDSXIYURTVLUIT-SFHVURJKSA-N 1 0 399.539 2.703 50 0 GFAARO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](CCC(=O)NC5CC5)CC4)c32)C1 ZINC000089930131 136175843 /nfs/dbraw/zinc/17/58/43/136175843.db2.gz NZJKVKRKPWKCLH-AWEZNQCLSA-N 1 0 399.564 2.607 50 0 GFAARO Cn1ncnc1[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1 ZINC000095360188 136178028 /nfs/dbraw/zinc/17/80/28/136178028.db2.gz PFGKNGVUYSLGKU-INIZCTEOSA-N 1 0 380.418 2.939 50 0 GFAARO CCCc1cncnc1N1CCC([NH+]2CCN(Cc3ccccn3)CC2)CC1 ZINC000095521597 136181200 /nfs/dbraw/zinc/18/12/00/136181200.db2.gz YPUPVOGJFXJVST-UHFFFAOYSA-N 1 0 380.540 2.611 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3-c3c(F)cccc3F)nc2)CC1 ZINC000095970867 136182928 /nfs/dbraw/zinc/18/29/28/136182928.db2.gz XQXDKGOEHLNHMD-UHFFFAOYSA-N 1 0 398.417 2.754 50 0 GFAARO CC(=O)N[C@@H]1CC[N@@H+](C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)C1 ZINC000096135922 136184192 /nfs/dbraw/zinc/18/41/92/136184192.db2.gz HGRBGNUDHNWVBE-LJQANCHMSA-N 1 0 379.508 2.631 50 0 GFAARO CCCN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000236752518 521451726 /nfs/dbraw/zinc/45/17/26/521451726.db2.gz QXFYXUPEBFPCLM-DLBZAZTESA-N 1 0 377.533 2.567 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2Br)no1 ZINC000158568356 524807755 /nfs/dbraw/zinc/80/77/55/524807755.db2.gz ZFPUZBSAUHAMIX-ZDUSSCGKSA-N 1 0 394.269 2.888 50 0 GFAARO COc1ccc([C@H](CNC(=O)CCN2CCSC2=O)[NH+]2CCCC2)cc1 ZINC000040007673 525354214 /nfs/dbraw/zinc/35/42/14/525354214.db2.gz DXYSDEKZRJYQEU-KRWDZBQOSA-N 1 0 377.510 2.507 50 0 GFAARO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 ZINC000426740548 527814864 /nfs/dbraw/zinc/81/48/64/527814864.db2.gz NSSUEHDRMYOLNH-GOSISDBHSA-N 1 0 386.517 2.732 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426549872 528262464 /nfs/dbraw/zinc/26/24/64/528262464.db2.gz DFOCEPRGMSHZON-UHFFFAOYSA-N 1 0 383.496 2.676 50 0 GFAARO COc1cccc(-c2cc(C(=O)N3CCN(c4cc[nH+]cc4C)CC3)[nH]n2)c1 ZINC000091587246 537062087 /nfs/dbraw/zinc/06/20/87/537062087.db2.gz IYYWAVNDOKQMFQ-UHFFFAOYSA-N 1 0 377.448 2.751 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2I)N1 ZINC000003191219 551092412 /nfs/dbraw/zinc/09/24/12/551092412.db2.gz ZIEFQHVDLKTUHH-CYBMUJFWSA-N 1 0 389.200 2.737 50 0 GFAARO C[NH+]1CCN(c2cc(CNC(=O)COc3ccc4ccccc4c3)ccn2)CC1 ZINC000047672140 570213637 /nfs/dbraw/zinc/21/36/37/570213637.db2.gz KCLCKDXJCMGOAC-UHFFFAOYSA-N 1 0 390.487 2.682 50 0 GFAARO O=C(c1ccc(Cn2cncn2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000048248797 570223208 /nfs/dbraw/zinc/22/32/08/570223208.db2.gz IZPHQYUFKMTZMW-UHFFFAOYSA-N 1 0 375.476 2.675 50 0 GFAARO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000048290696 570229282 /nfs/dbraw/zinc/22/92/82/570229282.db2.gz XXDATOACHIBTRG-KRWDZBQOSA-N 1 0 384.549 2.772 50 0 GFAARO NC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc12 ZINC000048286024 570231750 /nfs/dbraw/zinc/23/17/50/570231750.db2.gz UQALBYNTCJTCQA-NRFANRHFSA-N 1 0 390.487 2.694 50 0 GFAARO COc1ccc(CCNC(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048333637 570237625 /nfs/dbraw/zinc/23/76/25/570237625.db2.gz LRAOWFCAYGETTD-UHFFFAOYSA-N 1 0 387.568 2.942 50 0 GFAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000247806544 570247103 /nfs/dbraw/zinc/24/71/03/570247103.db2.gz ZUTGZBUZGCQQJA-UXHICEINSA-N 1 0 399.535 2.572 50 0 GFAARO Cc1ccc(OCCN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000019619996 570254605 /nfs/dbraw/zinc/25/46/05/570254605.db2.gz OYDJFIQHHHNLRN-UHFFFAOYSA-N 1 0 392.455 2.938 50 0 GFAARO COc1cc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104466641 570259272 /nfs/dbraw/zinc/25/92/72/570259272.db2.gz RVXBOXUSJNJHQC-GOSISDBHSA-N 1 0 378.513 2.547 50 0 GFAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085879450 570263698 /nfs/dbraw/zinc/26/36/98/570263698.db2.gz FFEYSIPRSWWECA-QFBILLFUSA-N 1 0 382.508 2.627 50 0 GFAARO Cc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400705 570263745 /nfs/dbraw/zinc/26/37/45/570263745.db2.gz JPCSXTLKTHIHSQ-UHFFFAOYSA-N 1 0 388.471 2.749 50 0 GFAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000049550430 570269806 /nfs/dbraw/zinc/26/98/06/570269806.db2.gz GFKYZAZBZIMRTN-SFHVURJKSA-N 1 0 385.512 2.514 50 0 GFAARO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)ccc2OC)N2CCOCC2)cc1 ZINC000022934948 570338009 /nfs/dbraw/zinc/33/80/09/570338009.db2.gz AMWNJRRWXPKMHZ-OAQYLSRUSA-N 1 0 386.492 2.876 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000237215051 570339045 /nfs/dbraw/zinc/33/90/45/570339045.db2.gz XCXHYSAUZTUGLK-SFHVURJKSA-N 1 0 392.565 2.848 50 0 GFAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCN2CC[NH+](C)CC2)n3C)c1 ZINC000022939880 570339139 /nfs/dbraw/zinc/33/91/39/570339139.db2.gz FGAAJXLZAJEEKW-UHFFFAOYSA-N 1 0 391.519 2.924 50 0 GFAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000023248813 570352453 /nfs/dbraw/zinc/35/24/53/570352453.db2.gz MBOVPJAPZSPUQV-KNQAVFIVSA-N 1 0 393.531 2.936 50 0 GFAARO Cc1c(CN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281492 570353762 /nfs/dbraw/zinc/35/37/62/570353762.db2.gz JQSWGVGYBWKJOH-UHFFFAOYSA-N 1 0 376.504 2.802 50 0 GFAARO O=C1C2=C(CCCC2)[C@H]([NH2+]CCCN2CCOCC2)N1Cc1ccc(F)cc1 ZINC000023343325 570355733 /nfs/dbraw/zinc/35/57/33/570355733.db2.gz JHQLTXZAVIYHNH-OAQYLSRUSA-N 1 0 387.499 2.677 50 0 GFAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CC[NH+](C2CCCC2)CC1 ZINC000023359017 570356318 /nfs/dbraw/zinc/35/63/18/570356318.db2.gz VFKLWSJDAPCXTE-XMMPIXPASA-N 1 0 399.579 2.533 50 0 GFAARO O=C(NCCN1CCCOC1=O)c1ccc([C@H]2CCC[N@@H+]2CC2CC2)s1 ZINC000023580947 570365858 /nfs/dbraw/zinc/36/58/58/570365858.db2.gz OIQLDYFTZZTKHY-OAHLLOKOSA-N 1 0 377.510 2.867 50 0 GFAARO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(n4cc([C@H](C)O)nn4)CC3)c2)n1 ZINC000023619454 570366877 /nfs/dbraw/zinc/36/68/77/570366877.db2.gz VYIXJTAESIUJLZ-KRWDZBQOSA-N 1 0 380.496 2.971 50 0 GFAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000024755162 570391678 /nfs/dbraw/zinc/39/16/78/570391678.db2.gz FIGNNOYEHMYWTL-QGZVFWFLSA-N 1 0 396.516 2.871 50 0 GFAARO COc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2=O)c1 ZINC000025332376 570411320 /nfs/dbraw/zinc/41/13/20/570411320.db2.gz XTQVTWQQDOECBN-YJBOKZPZSA-N 1 0 387.505 2.529 50 0 GFAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025421844 570413723 /nfs/dbraw/zinc/41/37/23/570413723.db2.gz GSJXBQILYNSHQO-DLBZAZTESA-N 1 0 389.521 2.550 50 0 GFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](O)c1ccccc1 ZINC000043492331 570415259 /nfs/dbraw/zinc/41/52/59/570415259.db2.gz FVOYFDJHOJREMR-DYESRHJHSA-N 1 0 399.491 2.881 50 0 GFAARO CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000038545835 570433198 /nfs/dbraw/zinc/43/31/98/570433198.db2.gz PLYOFDPHAWSIQB-NRFANRHFSA-N 1 0 385.508 2.618 50 0 GFAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000248087497 570438920 /nfs/dbraw/zinc/43/89/20/570438920.db2.gz BOOCVYNAIUOAHD-NUJGCVRESA-N 1 0 394.537 2.604 50 0 GFAARO O=C(CC[NH+]1Cc2ccccc2C1)NCCc1csc(-c2ncccn2)n1 ZINC000223035116 570439049 /nfs/dbraw/zinc/43/90/49/570439049.db2.gz ZDFATVUDGYAPQI-UHFFFAOYSA-N 1 0 379.489 2.665 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043544874 570468851 /nfs/dbraw/zinc/46/88/51/570468851.db2.gz WLADJIWNAZGTCW-SFTDATJTSA-N 1 0 379.504 2.832 50 0 GFAARO Cc1cc(C)cc(C(=O)NCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000029840040 570481229 /nfs/dbraw/zinc/48/12/29/570481229.db2.gz XEZMSEHYTUZQAT-UHFFFAOYSA-N 1 0 379.504 2.598 50 0 GFAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000006673169 570487614 /nfs/dbraw/zinc/48/76/14/570487614.db2.gz OUDIKWQJCKSDOL-UHFFFAOYSA-N 1 0 377.496 2.990 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000006651242 570520116 /nfs/dbraw/zinc/52/01/16/570520116.db2.gz MFAUJMAIJMELAJ-UHFFFAOYSA-N 1 0 390.505 2.778 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000269117719 570526291 /nfs/dbraw/zinc/52/62/91/570526291.db2.gz VYKBBXAGGPXWGV-NSHDSACASA-N 1 0 375.694 2.939 50 0 GFAARO CCCN1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761046 570537514 /nfs/dbraw/zinc/53/75/14/570537514.db2.gz BGMFNYDAKQHBGK-UHFFFAOYSA-N 1 0 383.540 2.690 50 0 GFAARO COCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036100149 570537830 /nfs/dbraw/zinc/53/78/30/570537830.db2.gz ISICPHOVZTYSAM-GOSISDBHSA-N 1 0 375.465 2.592 50 0 GFAARO Cc1ccc(C)c(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2)c1 ZINC000036103799 570540922 /nfs/dbraw/zinc/54/09/22/570540922.db2.gz CDOJFPVAQSSNGX-QHCPKHFHSA-N 1 0 398.547 2.878 50 0 GFAARO CC(C)c1nnc2n1C[C@H](NC(=O)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000095957998 570541608 /nfs/dbraw/zinc/54/16/08/570541608.db2.gz WTBZUIVGEGANOP-LJQANCHMSA-N 1 0 381.524 2.745 50 0 GFAARO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193521955 570545186 /nfs/dbraw/zinc/54/51/86/570545186.db2.gz HUZWFUBUAQKNIJ-UHFFFAOYSA-N 1 0 386.403 2.738 50 0 GFAARO Cc1cc(O[C@H](C)C(=O)NCCC[NH+](C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005307524 570551310 /nfs/dbraw/zinc/55/13/10/570551310.db2.gz QVCRERJKQUDJJG-OAHLLOKOSA-N 1 0 386.492 2.815 50 0 GFAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120129 570553896 /nfs/dbraw/zinc/55/38/96/570553896.db2.gz CFPYJNOTZLGCIC-OAHLLOKOSA-N 1 0 399.457 2.758 50 0 GFAARO CCCC[N@H+](CC)CCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751264 570569559 /nfs/dbraw/zinc/56/95/59/570569559.db2.gz YHBQRHBBOQZHSW-UHFFFAOYSA-N 1 0 375.513 2.739 50 0 GFAARO O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000011661773 570576869 /nfs/dbraw/zinc/57/68/69/570576869.db2.gz DTGYUAURJVGJGM-HSZRJFAPSA-N 1 0 379.504 2.881 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000225470320 570577739 /nfs/dbraw/zinc/57/77/39/570577739.db2.gz GOGJZLZZQPYDAS-SFHVURJKSA-N 1 0 395.569 2.598 50 0 GFAARO O=C(c1cccc(-n2nnc3cccnc32)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000064925320 570594244 /nfs/dbraw/zinc/59/42/44/570594244.db2.gz ZCVDTZPEXJVTFT-UHFFFAOYSA-N 1 0 390.491 2.906 50 0 GFAARO C[NH+](C)CCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392350 570600372 /nfs/dbraw/zinc/60/03/72/570600372.db2.gz IDRDNDPMDWIFLL-UHFFFAOYSA-N 1 0 382.855 2.711 50 0 GFAARO CC1(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000012074456 570604435 /nfs/dbraw/zinc/60/44/35/570604435.db2.gz UKZGPLUFDJEYBD-FQEVSTJZSA-N 1 0 397.563 2.848 50 0 GFAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000040719942 570604675 /nfs/dbraw/zinc/60/46/75/570604675.db2.gz WTHKFDGRTMMFOP-UHFFFAOYSA-N 1 0 397.519 2.824 50 0 GFAARO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169682019 570612467 /nfs/dbraw/zinc/61/24/67/570612467.db2.gz PIMQXHKZXYBFLB-UNMCSNQZSA-N 1 0 397.494 2.834 50 0 GFAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCC(=O)OC ZINC000012298313 570634740 /nfs/dbraw/zinc/63/47/40/570634740.db2.gz QKQCSTHCDPZSBO-IBGZPJMESA-N 1 0 390.524 2.751 50 0 GFAARO COc1cccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2F)c2nccn2C)c1 ZINC000041195443 570661777 /nfs/dbraw/zinc/66/17/77/570661777.db2.gz RBXOUGYZDOSUOA-SFHVURJKSA-N 1 0 396.422 2.721 50 0 GFAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3ccc(-n4cccn4)cc3)CC2=O)cc1 ZINC000012454230 570668622 /nfs/dbraw/zinc/66/86/22/570668622.db2.gz AZBNKIPIRWWEHH-HXUWFJFHSA-N 1 0 390.487 2.814 50 0 GFAARO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1)[C@@]1(C)CCCO1 ZINC000239636960 570684053 /nfs/dbraw/zinc/68/40/53/570684053.db2.gz BHUSKJQLELFQKN-KMGZYFLFSA-N 1 0 396.535 2.998 50 0 GFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCN3CCCC3=O)C2)cc1 ZINC000012590942 570687090 /nfs/dbraw/zinc/68/70/90/570687090.db2.gz KVMSHSGVGUKGBJ-NRFANRHFSA-N 1 0 385.552 2.978 50 0 GFAARO CCCC[N@H+](C)C[C@H](C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000242047863 570688240 /nfs/dbraw/zinc/68/82/40/570688240.db2.gz VQSFSRMWTCGSFE-SFHVURJKSA-N 1 0 389.540 2.541 50 0 GFAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901517 570692124 /nfs/dbraw/zinc/69/21/24/570692124.db2.gz BCCAXZCOXCBVHN-HNNXBMFYSA-N 1 0 376.888 2.800 50 0 GFAARO Cc1noc(C)c1CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055386591 570693968 /nfs/dbraw/zinc/69/39/68/570693968.db2.gz LTYXNFCUCAXSSG-HXUWFJFHSA-N 1 0 396.535 2.956 50 0 GFAARO NC(=O)CCn1cc(C[NH2+]CCNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000055393568 570694463 /nfs/dbraw/zinc/69/44/63/570694463.db2.gz KUBGLULRUVECBU-UHFFFAOYSA-N 1 0 398.894 2.690 50 0 GFAARO O=C1NCCN1CC[NH2+]Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000055403541 570695196 /nfs/dbraw/zinc/69/51/96/570695196.db2.gz PBOCRLCJAZNHOD-UHFFFAOYSA-N 1 0 396.466 2.974 50 0 GFAARO COc1ccc(CNC(=O)C2CC[NH+](CCn3cc(Cl)cn3)CC2)cc1 ZINC000244716333 570695375 /nfs/dbraw/zinc/69/53/75/570695375.db2.gz LNFSJZGWFWUDHQ-UHFFFAOYSA-N 1 0 376.888 2.574 50 0 GFAARO COc1ccccc1NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055414281 570695769 /nfs/dbraw/zinc/69/57/69/570695769.db2.gz YMCPLNSRJCQOJF-MRXNPFEDSA-N 1 0 385.464 2.645 50 0 GFAARO COC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012708202 570701005 /nfs/dbraw/zinc/70/10/05/570701005.db2.gz PXVRDACEXRQYAX-AWEZNQCLSA-N 1 0 386.452 2.536 50 0 GFAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012708230 570701071 /nfs/dbraw/zinc/70/10/71/570701071.db2.gz LGPGZKCIWBWOQH-MRXNPFEDSA-N 1 0 378.538 2.798 50 0 GFAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000012712898 570703341 /nfs/dbraw/zinc/70/33/41/570703341.db2.gz NFBMNTOVKYCHAV-HXUWFJFHSA-N 1 0 376.464 2.698 50 0 GFAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3cnn(C)c3C)nc2)CC[N@@H+]1C(C)C ZINC000012716777 570704800 /nfs/dbraw/zinc/70/48/00/570704800.db2.gz ADPLYPSLABGULH-LJQANCHMSA-N 1 0 384.528 2.680 50 0 GFAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000058172233 570715267 /nfs/dbraw/zinc/71/52/67/570715267.db2.gz DSLIGNWGZJBRKI-OAHLLOKOSA-N 1 0 379.936 2.972 50 0 GFAARO C[NH+](C)CCCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172593 570720936 /nfs/dbraw/zinc/72/09/36/570720936.db2.gz SOTRDKKJYFLXPP-UHFFFAOYSA-N 1 0 397.523 2.506 50 0 GFAARO CCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3CC)CC2)CC1 ZINC000249690732 570722916 /nfs/dbraw/zinc/72/29/16/570722916.db2.gz KQDSUJDXGJPWRE-UHFFFAOYSA-N 1 0 397.567 2.822 50 0 GFAARO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000058291410 570725031 /nfs/dbraw/zinc/72/50/31/570725031.db2.gz DUEWAQGGUOUUID-INIZCTEOSA-N 1 0 375.494 2.635 50 0 GFAARO Cc1n[nH]cc1CCCNC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1 ZINC000058329400 570727343 /nfs/dbraw/zinc/72/73/43/570727343.db2.gz QVEYIXQDXWPGIK-UHFFFAOYSA-N 1 0 388.491 2.753 50 0 GFAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000058406594 570731346 /nfs/dbraw/zinc/73/13/46/570731346.db2.gz BDNWQIYVMQEZKG-AWEZNQCLSA-N 1 0 395.345 2.669 50 0 GFAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000033059984 570747375 /nfs/dbraw/zinc/74/73/75/570747375.db2.gz XTTYTZJKRCKPGT-UHFFFAOYSA-N 1 0 397.548 2.681 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061190 570747418 /nfs/dbraw/zinc/74/74/18/570747418.db2.gz JYRXOLVNQZZANA-AWEZNQCLSA-N 1 0 387.509 2.785 50 0 GFAARO Cc1ccc2nc3c(n2c1)[C@@H](c1ccccc1OCC[NH+](C)C)CC(=O)NC3 ZINC000065531427 570772309 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O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(-c2cnn3ccccc23)cc1 ZINC000534664749 570918749 /nfs/dbraw/zinc/91/87/49/570918749.db2.gz GGRSENPZPTUXEK-LJQANCHMSA-N 1 0 378.476 2.578 50 0 GFAARO C[NH+](C)CCNC(=O)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273149 570933625 /nfs/dbraw/zinc/93/36/25/570933625.db2.gz KKWMSZZTVOSHOA-HNNXBMFYSA-N 1 0 377.554 2.547 50 0 GFAARO COc1cccc(Cl)c1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000252492125 570974437 /nfs/dbraw/zinc/97/44/37/570974437.db2.gz MDKJFVZHNYGNJW-UHFFFAOYSA-N 1 0 388.899 2.572 50 0 GFAARO Cc1nn(C)c2ncc(C(=O)N[C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000252535715 570990130 /nfs/dbraw/zinc/99/01/30/570990130.db2.gz GRALOZNBSAJZSJ-MAUKXSAKSA-N 1 0 377.492 2.917 50 0 GFAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Br)c(C=O)n1C ZINC000078822248 571003160 /nfs/dbraw/zinc/00/31/60/571003160.db2.gz RKXZVTBRIMPSPC-FRRDWIJNSA-N 1 0 384.318 2.696 50 0 GFAARO CC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3sc4ccccc4c3Cl)CN2C1=O ZINC000014749406 654507750 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C[NH+](C)[C@H](CNC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1 ZINC000016599539 210191337 /nfs/dbraw/zinc/19/13/37/210191337.db2.gz WWODHBPMINMDRC-MRXNPFEDSA-N 1 0 398.488 2.950 50 0 GFAARO C[C@@H](CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)[NH+]1CCCC1 ZINC000015770333 210168256 /nfs/dbraw/zinc/16/82/56/210168256.db2.gz ICCRLTDMWHYKEE-HNNXBMFYSA-N 1 0 387.553 2.898 50 0 GFAARO Cc1ccccc1C(=O)NCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015425581 210158902 /nfs/dbraw/zinc/15/89/02/210158902.db2.gz HABXRKHVZATMAI-UHFFFAOYSA-N 1 0 379.504 2.896 50 0 GFAARO Cc1cc(C)n(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 ZINC000015075444 210149882 /nfs/dbraw/zinc/14/98/82/210149882.db2.gz LEHSSQFEOLPHGL-OAQYLSRUSA-N 1 0 395.551 2.622 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cnccn4)C3)C2)c1 ZINC000015062901 210146681 /nfs/dbraw/zinc/14/66/81/210146681.db2.gz JJVWDEFIXLYKFB-NRFANRHFSA-N 1 0 384.455 2.753 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)CC1 ZINC000014956580 210133411 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C[NH+]1CCN(c2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cn2)CC1 ZINC000012926784 210032784 /nfs/dbraw/zinc/03/27/84/210032784.db2.gz JQKJFVNIMZILQT-UHFFFAOYSA-N 1 0 394.504 2.533 50 0 GFAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012792119 210008761 /nfs/dbraw/zinc/00/87/61/210008761.db2.gz YGEPMUHEPAXLCA-UHFFFAOYSA-N 1 0 397.541 2.587 50 0 GFAARO COc1ccc(OCc2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)no2)c(Cl)c1 ZINC000012752452 210001679 /nfs/dbraw/zinc/00/16/79/210001679.db2.gz YLEGGPYKMNXKCJ-LBPRGKRZSA-N 1 0 379.844 2.692 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1 ZINC000012027796 209900135 /nfs/dbraw/zinc/90/01/35/209900135.db2.gz KYELNGSKJIEBPL-GOSISDBHSA-N 1 0 395.547 2.700 50 0 GFAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](C[C@@H]2CC=CCC2)CC3)CC1 ZINC000011998267 209897169 /nfs/dbraw/zinc/89/71/69/209897169.db2.gz QUSONGRXVQCWQT-RTBURBONSA-N 1 0 389.540 2.746 50 0 GFAARO Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009721423 209842912 /nfs/dbraw/zinc/84/29/12/209842912.db2.gz SXYIFQAPAISOHY-UHFFFAOYSA-N 1 0 378.480 2.908 50 0 GFAARO CC[NH+](CC)CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000003006275 209404614 /nfs/dbraw/zinc/40/46/14/209404614.db2.gz ZBUBHGCESKZSGT-UHFFFAOYSA-N 1 0 390.915 2.802 50 0 GFAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+](C)C ZINC000002299854 209355231 /nfs/dbraw/zinc/35/52/31/209355231.db2.gz XVHZIPDAVBZSGY-UHFFFAOYSA-N 1 0 382.258 2.997 50 0 GFAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000001537496 209332311 /nfs/dbraw/zinc/33/23/11/209332311.db2.gz SJDOMIRMMUGQQK-UHFFFAOYSA-N 1 0 393.487 2.894 50 0 aggregator,in-vivo GFAARO O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000263616238 209225814 /nfs/dbraw/zinc/22/58/14/209225814.db2.gz HSMVVZMTZFIFCO-HXUWFJFHSA-N 1 0 395.507 2.640 50 0 GFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 ZINC000133503295 212060371 /nfs/dbraw/zinc/06/03/71/212060371.db2.gz QLGHVGHYVFVDEM-CQSZACIVSA-N 1 0 377.286 2.767 50 0 GFAARO CC(=O)N1CCC([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000121488158 212042220 /nfs/dbraw/zinc/04/22/20/212042220.db2.gz LGWHVXDSMWFJDE-LLVKDONJSA-N 1 0 383.286 2.882 50 0 GFAARO COc1ccc(-c2ccccc2NC(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000299775403 212035403 /nfs/dbraw/zinc/03/54/03/212035403.db2.gz JEICTXHFPIELAZ-GOSISDBHSA-N 1 0 380.492 2.826 50 0 GFAARO CC[C@@H]1CN(CC(=O)NCC[C@@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771517 212035009 /nfs/dbraw/zinc/03/50/09/212035009.db2.gz PXHRDUSIZPMQND-ZWKOTPCHSA-N 1 0 379.932 2.914 50 0 GFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2ccccc2-n2cnnc2)C1 ZINC000097657371 211369173 /nfs/dbraw/zinc/36/91/73/211369173.db2.gz PWCDOBPBVJBIJK-SFHVURJKSA-N 1 0 375.476 2.795 50 0 GFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2ccccc2-n2cnnc2)C1 ZINC000097657370 211368591 /nfs/dbraw/zinc/36/85/91/211368591.db2.gz PWCDOBPBVJBIJK-GOSISDBHSA-N 1 0 375.476 2.795 50 0 GFAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2scnc2C)CC1 ZINC000096163750 211316594 /nfs/dbraw/zinc/31/65/94/211316594.db2.gz GBXVEZAUEATLDN-UHFFFAOYSA-N 1 0 385.541 2.996 50 0 GFAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n1C ZINC000096164137 211316051 /nfs/dbraw/zinc/31/60/51/211316051.db2.gz JLYGIVIIUODTNB-UHFFFAOYSA-N 1 0 380.496 2.911 50 0 GFAARO Cc1nnnn1-c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000096163288 211313052 /nfs/dbraw/zinc/31/30/52/211313052.db2.gz DZSAHNUANWMUTO-KRWDZBQOSA-N 1 0 381.440 2.522 50 0 GFAARO Cc1noc(C)c1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096132368 211304019 /nfs/dbraw/zinc/30/40/19/211304019.db2.gz NTLIWUINFTXJQZ-UHFFFAOYSA-N 1 0 381.484 2.842 50 0 GFAARO O=C(Nc1ccccc1CCc1ccccn1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000096141385 211308225 /nfs/dbraw/zinc/30/82/25/211308225.db2.gz XYWQNNKWMBBENU-SFTDATJTSA-N 1 0 380.492 2.852 50 0 GFAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 ZINC000095959635 211287254 /nfs/dbraw/zinc/28/72/54/211287254.db2.gz RYHUPHFWRMESRV-INIZCTEOSA-N 1 0 387.505 2.511 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3-c3nc[nH]n3)C[C@H]2[NH+](C)C)cc1 ZINC000095517264 211264200 /nfs/dbraw/zinc/26/42/00/211264200.db2.gz IGNKQOXHXBIQQE-VQTJNVASSA-N 1 0 375.476 2.950 50 0 GFAARO COCCN(Cc1nc(C)no1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095516754 211264127 /nfs/dbraw/zinc/26/41/27/211264127.db2.gz HOWDJGRIUPSELM-SFHVURJKSA-N 1 0 384.524 2.706 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3nc4ncccn4n3)C2)cc1 ZINC000095531594 211276498 /nfs/dbraw/zinc/27/64/98/211276498.db2.gz OTHWOBWSGWSQKV-IBGZPJMESA-N 1 0 394.523 2.519 50 0 GFAARO COc1ccc(CN2CC(c3ccccn3)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095519279 211264871 /nfs/dbraw/zinc/26/48/71/211264871.db2.gz LIEVLRUSRVPXHJ-FQEVSTJZSA-N 1 0 397.519 2.525 50 0 GFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000095516773 211263489 /nfs/dbraw/zinc/26/34/89/211263489.db2.gz QRQNFHQCZVFBAF-OAQYLSRUSA-N 1 0 389.503 2.602 50 0 GFAARO COc1cc(C(=O)NC[C@@H](C)O)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095511059 211263174 /nfs/dbraw/zinc/26/31/74/211263174.db2.gz PEHSKDMEFBRALQ-OAHLLOKOSA-N 1 0 376.497 2.592 50 0 GFAARO CCc1ccc(C(=O)N2CCC(CCC(=O)NC[C@H]3CCC[N@H+]3CC)CC2)[nH]1 ZINC000095508931 211258862 /nfs/dbraw/zinc/25/88/62/211258862.db2.gz IPPNCAICYNRHFV-LJQANCHMSA-N 1 0 388.556 2.810 50 0 GFAARO COc1cc(CN2CCC(F)(F)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095506809 211257071 /nfs/dbraw/zinc/25/70/71/211257071.db2.gz CPKBLKMDLRPVIZ-KRWDZBQOSA-N 1 0 384.467 2.762 50 0 GFAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(C(C)C)c1)CC2 ZINC000095502694 211255122 /nfs/dbraw/zinc/25/51/22/211255122.db2.gz NARXGLBUBHMULS-UHFFFAOYSA-N 1 0 384.528 2.833 50 0 GFAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(OCCc2ccccn2)cc1 ZINC000095503895 211254528 /nfs/dbraw/zinc/25/45/28/211254528.db2.gz UTCYQKRBTUOGIF-PMACEKPBSA-N 1 0 384.480 2.544 50 0 GFAARO CCc1nccn1CC[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095496889 211250260 /nfs/dbraw/zinc/25/02/60/211250260.db2.gz WNRVJBYCDYXKMN-UHFFFAOYSA-N 1 0 395.551 2.788 50 0 GFAARO NC(=O)CN1CCC([NH2+][C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000095466835 211245521 /nfs/dbraw/zinc/24/55/21/211245521.db2.gz VCZJUGGDDLZPML-IBGZPJMESA-N 1 0 392.425 2.729 50 0 GFAARO CN1CC[N@H+](C)Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc21 ZINC000095462422 211244132 /nfs/dbraw/zinc/24/41/32/211244132.db2.gz VQMYQLYISGOIOY-UHFFFAOYSA-N 1 0 378.476 2.947 50 0 GFAARO Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095383777 211235271 /nfs/dbraw/zinc/23/52/71/211235271.db2.gz ZEWDHJQLLGXZLQ-VQTJNVASSA-N 1 0 379.504 2.763 50 0 GFAARO CCc1c(C)scc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000095383524 211234140 /nfs/dbraw/zinc/23/41/40/211234140.db2.gz AGWRTBMMAXZUGK-FQEVSTJZSA-N 1 0 377.554 2.778 50 0 GFAARO COc1cccc(OCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1 ZINC000095377981 211232809 /nfs/dbraw/zinc/23/28/09/211232809.db2.gz PGTKOTVLBHFANV-PKOBYXMFSA-N 1 0 381.476 2.592 50 0 GFAARO O=C(c1n[nH]c2ccccc21)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376896 211230630 /nfs/dbraw/zinc/23/06/30/211230630.db2.gz QSAGJDASQYHYHB-VLCRHTCISA-N 1 0 388.471 2.971 50 0 GFAARO NC(=O)COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1Cl ZINC000095372885 211229174 /nfs/dbraw/zinc/22/91/74/211229174.db2.gz PZUNXVPACHYIOJ-ZWKOTPCHSA-N 1 0 391.943 2.900 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2ccnc2C)C3)cc1 ZINC000095363894 211226436 /nfs/dbraw/zinc/22/64/36/211226436.db2.gz GNGLUFKQYHBGBJ-VQTJNVASSA-N 1 0 382.508 2.713 50 0 GFAARO CCc1c(C)nn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1C ZINC000095363948 211226372 /nfs/dbraw/zinc/22/63/72/211226372.db2.gz MGWBMZVHTSEBTO-AZUAARDMSA-N 1 0 381.524 2.580 50 0 GFAARO CCNc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)s1 ZINC000095359235 211224527 /nfs/dbraw/zinc/22/45/27/211224527.db2.gz PZQCKVXFFYYABC-GOEBONIOSA-N 1 0 378.542 2.599 50 0 GFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091964932 211212101 /nfs/dbraw/zinc/21/21/01/211212101.db2.gz YYHWZCWHUKMGIR-AWEZNQCLSA-N 1 0 387.436 2.539 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3C)cc2)C[C@@H]1CO ZINC000091906867 211210887 /nfs/dbraw/zinc/21/08/87/211210887.db2.gz BLTXHOCEDMDXFF-FGZHOGPDSA-N 1 0 396.531 2.921 50 0 GFAARO O=C1CCC2(CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)CN1CCO ZINC000091664158 211200730 /nfs/dbraw/zinc/20/07/30/211200730.db2.gz XYHZCLKGBKKODM-UHFFFAOYSA-N 1 0 375.513 2.919 50 0 GFAARO CC(C)(C)c1ncc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c(=O)[nH]1 ZINC000091643425 211199404 /nfs/dbraw/zinc/19/94/04/211199404.db2.gz XZRHVQQAGONNKW-UHFFFAOYSA-N 1 0 382.508 2.677 50 0 GFAARO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cn1 ZINC000091563081 211196993 /nfs/dbraw/zinc/19/69/93/211196993.db2.gz ZADKZHDTKVEEPC-LJQANCHMSA-N 1 0 386.540 2.531 50 0 GFAARO OC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1CN1CCOCC1 ZINC000091468824 211194473 /nfs/dbraw/zinc/19/44/73/211194473.db2.gz CFSDQSUFJMIHQN-DHIUTWEWSA-N 1 0 380.532 2.691 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000085671714 211178033 /nfs/dbraw/zinc/17/80/33/211178033.db2.gz RTCZHUARHDUCEZ-INIZCTEOSA-N 1 0 387.553 2.900 50 0 GFAARO COc1cc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc2c1OCO2 ZINC000082148399 211161617 /nfs/dbraw/zinc/16/16/17/211161617.db2.gz VLXXBKMDLJWSRP-UHFFFAOYSA-N 1 0 381.432 2.823 50 0 GFAARO CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000078974054 211151267 /nfs/dbraw/zinc/15/12/67/211151267.db2.gz FBIFOPNODQQNCO-FUHWJXTLSA-N 1 0 384.528 2.789 50 0 GFAARO CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000078974063 211150674 /nfs/dbraw/zinc/15/06/74/211150674.db2.gz FBIFOPNODQQNCO-AEFFLSMTSA-N 1 0 384.528 2.789 50 0 GFAARO Cc1ccc(OC2(C(=O)NCCc3nc4ccccc4[nH]3)CC[NH2+]CC2)cc1 ZINC000077564574 211137889 /nfs/dbraw/zinc/13/78/89/211137889.db2.gz NBZBFUHHORREBV-UHFFFAOYSA-N 1 0 378.476 2.731 50 0 GFAARO COCCCN1C[C@]2(CCC[N@H+](Cc3c(C)nc4ccccn43)C2)CCC1=O ZINC000077520859 211137084 /nfs/dbraw/zinc/13/70/84/211137084.db2.gz IMHCGBBCVPOETE-JOCHJYFZSA-N 1 0 384.524 2.884 50 0 GFAARO Cc1cccc(=O)n1CCC(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077469824 211134833 /nfs/dbraw/zinc/13/48/33/211134833.db2.gz MBTNDHKMVGEKBW-UHFFFAOYSA-N 1 0 383.536 2.660 50 0 GFAARO CCC(CC)CN1CC2(CCN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)CC2)OC1=O ZINC000077469774 211134210 /nfs/dbraw/zinc/13/42/10/211134210.db2.gz NROHDOFEWVJKNZ-QGZVFWFLSA-N 1 0 379.545 2.968 50 0 GFAARO C[C@@H](C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072420042 211115857 /nfs/dbraw/zinc/11/58/57/211115857.db2.gz BUNWOXKBCXGRSZ-AWEZNQCLSA-N 1 0 384.879 2.817 50 0 GFAARO CC(C)[NH+](CCCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)C(C)C ZINC000074337540 211126277 /nfs/dbraw/zinc/12/62/77/211126277.db2.gz COYLUWWIRNRLIA-UHFFFAOYSA-N 1 0 375.513 2.769 50 0 GFAARO Cc1nc(C)c(C(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)[nH+]2)s1 ZINC000072437860 211120629 /nfs/dbraw/zinc/12/06/29/211120629.db2.gz BQZSBSXEVCNCOG-UHFFFAOYSA-N 1 0 385.497 2.503 50 0 GFAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCc2nnc(-c3ccccc3)n2CC1 ZINC000072161326 211077795 /nfs/dbraw/zinc/07/77/95/211077795.db2.gz WLCRTODGLCPVPN-GOSISDBHSA-N 1 0 387.487 2.721 50 0 GFAARO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072141883 211074240 /nfs/dbraw/zinc/07/42/40/211074240.db2.gz AOLWVJHHAVZFOG-IBGZPJMESA-N 1 0 377.872 2.832 50 0 GFAARO COc1cc2c(cc1C[N@@H+]1CCC[C@]3(CN(C)C(=O)O3)CC1)OCCCO2 ZINC000072125400 211071950 /nfs/dbraw/zinc/07/19/50/211071950.db2.gz NFZKKBDGVAFHMO-HXUWFJFHSA-N 1 0 376.453 2.663 50 0 GFAARO CCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071763418 211060594 /nfs/dbraw/zinc/06/05/94/211060594.db2.gz DAVXDOMVGCJVIJ-LJQANCHMSA-N 1 0 398.551 2.543 50 0 GFAARO CC(C)[C@@H]1CN(c2cc(NCCO)ncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763339 211060142 /nfs/dbraw/zinc/06/01/42/211060142.db2.gz NOKVZHWKRZVZQS-IBGZPJMESA-N 1 0 387.503 2.757 50 0 GFAARO COc1ccc(-c2nc(CN3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c(C)o2)c(F)c1 ZINC000071738422 211053363 /nfs/dbraw/zinc/05/33/63/211053363.db2.gz SMJSCLDATPZWFV-PMACEKPBSA-N 1 0 389.471 2.829 50 0 GFAARO CC(C)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CCC[N@@H+]1CC1CC1 ZINC000071404065 211047781 /nfs/dbraw/zinc/04/77/81/211047781.db2.gz DADSVHRFFUILFG-HXUWFJFHSA-N 1 0 386.540 2.501 50 0 GFAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)[nH]1 ZINC000071415564 211046491 /nfs/dbraw/zinc/04/64/91/211046491.db2.gz LWOPIWNBAOMAJS-ROUUACIJSA-N 1 0 379.508 2.766 50 0 GFAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2nc(-c3ccc(C)cc3)oc2C)c1=O ZINC000071708109 211051056 /nfs/dbraw/zinc/05/10/56/211051056.db2.gz UOGVULDUVANLSA-UHFFFAOYSA-N 1 0 395.507 2.927 50 0 GFAARO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000090608996 211036608 /nfs/dbraw/zinc/03/66/08/211036608.db2.gz AYOPFMHGRHXACI-HNNXBMFYSA-N 1 0 396.500 2.904 50 0 GFAARO c1nn2cc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cnc2c1-c1ccccc1 ZINC000067954478 211031930 /nfs/dbraw/zinc/03/19/30/211031930.db2.gz PYYSKKYUFKVVRK-HXUWFJFHSA-N 1 0 377.492 2.693 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(C)ccc3F)CC2)C1 ZINC000067805582 211022604 /nfs/dbraw/zinc/02/26/04/211022604.db2.gz BODZDEFMGVLMEF-GOSISDBHSA-N 1 0 391.531 2.573 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3F)CC2)C1 ZINC000067855034 211025581 /nfs/dbraw/zinc/02/55/81/211025581.db2.gz DYWQNLSUPCDUCG-INIZCTEOSA-N 1 0 377.479 2.920 50 0 GFAARO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(Oc2cccc(C)c2)CC1 ZINC000067742021 211019199 /nfs/dbraw/zinc/01/91/99/211019199.db2.gz LAMVMJAOMRZAQE-UHFFFAOYSA-N 1 0 384.524 2.917 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCCCCC3)C2=O)c1OC ZINC000067725749 211018643 /nfs/dbraw/zinc/01/86/43/211018643.db2.gz YILDLYNMXHTJBI-QFIPXVFZSA-N 1 0 390.524 2.870 50 0 GFAARO COc1ccc(Oc2cccc(C[NH+]3CCC4(CC3)NCCNC4=O)c2)cc1 ZINC000067514289 211011287 /nfs/dbraw/zinc/01/12/87/211011287.db2.gz APYVYLIQLDYCHO-UHFFFAOYSA-N 1 0 381.476 2.542 50 0 GFAARO CCC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCCN(C(=O)NCC)C3)c2)CC1 ZINC000033264169 210634814 /nfs/dbraw/zinc/63/48/14/210634814.db2.gz ODANZDUFVPVKAR-HXUWFJFHSA-N 1 0 386.540 2.763 50 0 GFAARO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020997216 210373178 /nfs/dbraw/zinc/37/31/78/210373178.db2.gz CBEJDQANZKCNQB-HSZRJFAPSA-N 1 0 376.504 2.941 50 0 GFAARO C/C=C(\C)C[NH2+][C@@H]1C[C@@H](C(=O)NCCOC)N(Cc2cccc(Cl)c2)C1 ZINC000020999869 210375258 /nfs/dbraw/zinc/37/52/58/210375258.db2.gz FSQVNRFGBKZMRD-PVLFMVMASA-N 1 0 379.932 2.601 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531197 210342847 /nfs/dbraw/zinc/34/28/47/210342847.db2.gz OYZYLUIDBNKKSP-OAQYLSRUSA-N 1 0 379.504 2.712 50 0 GFAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)NC[C@H]1CCCO1 ZINC000020363408 210329716 /nfs/dbraw/zinc/32/97/16/210329716.db2.gz BVSKVKWBPZOLDV-QGZVFWFLSA-N 1 0 388.537 2.979 50 0 GFAARO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020109776 210316495 /nfs/dbraw/zinc/31/64/95/210316495.db2.gz SEQFSUFNUVIUSY-GOSISDBHSA-N 1 0 376.884 2.911 50 0 GFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn3c(n2)SCC3)c1 ZINC000019739786 210291404 /nfs/dbraw/zinc/29/14/04/210291404.db2.gz MBXBWIOUDWXGQI-QGZVFWFLSA-N 1 0 386.521 2.668 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cc3cccc(C)n3)CC2)CC1 ZINC000011821302 221129015 /nfs/dbraw/zinc/12/90/15/221129015.db2.gz UGQIEQNOOQGOSA-FQEVSTJZSA-N 1 0 386.584 2.977 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@H](C)Cc3cccc(C)n3)CC2)CC1 ZINC000011821303 221129307 /nfs/dbraw/zinc/12/93/07/221129307.db2.gz UGQIEQNOOQGOSA-HXUWFJFHSA-N 1 0 386.584 2.977 50 0 GFAARO COc1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(OC)c1OC ZINC000241701793 533613854 /nfs/dbraw/zinc/61/38/54/533613854.db2.gz QLDFWFQMTPGESQ-HUUCEWRRSA-N 1 0 379.501 2.775 50 0 GFAARO Cc1nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065362792 136163458 /nfs/dbraw/zinc/16/34/58/136163458.db2.gz MUBJWJWRBHJDMX-UHFFFAOYSA-N 1 0 397.498 2.806 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3ncnc4sccc43)CC2)C1)N1CCCC1 ZINC000071764105 136166450 /nfs/dbraw/zinc/16/64/50/136166450.db2.gz XJIXCPSCHWHJTG-INIZCTEOSA-N 1 0 399.564 2.995 50 0 GFAARO Cc1cc(C)n(-c2ccc(N3CCC([NH2+]CCc4nc(C)n[nH]4)CC3)cc2)n1 ZINC000082039413 136173316 /nfs/dbraw/zinc/17/33/16/136173316.db2.gz COZGNAGHFBLBDS-UHFFFAOYSA-N 1 0 379.512 2.717 50 0 GFAARO Cc1ccc([C@H](C)NC(=O)CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000082109658 136173692 /nfs/dbraw/zinc/17/36/92/136173692.db2.gz PWJMKBQZHGJBOE-KRWDZBQOSA-N 1 0 392.503 2.753 50 0 GFAARO CNc1cc(C)[nH+]c(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091655907 136176790 /nfs/dbraw/zinc/17/67/90/136176790.db2.gz SSYMDBFFCOUYME-OAQYLSRUSA-N 1 0 380.496 2.631 50 0 GFAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426597351 534563547 /nfs/dbraw/zinc/56/35/47/534563547.db2.gz DJTOJNMVVYTWHJ-IBGZPJMESA-N 1 0 382.512 2.537 50 0 GFAARO COc1ccccc1N1C[C@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000032730248 524580862 /nfs/dbraw/zinc/58/08/62/524580862.db2.gz LEXRYNGFDKXHDK-VQIMIIECSA-N 1 0 399.466 2.606 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426412279 529120757 /nfs/dbraw/zinc/12/07/57/529120757.db2.gz MJQKEBLVKWLLOX-NRFANRHFSA-N 1 0 393.478 2.694 50 0 GFAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000003178194 551092419 /nfs/dbraw/zinc/09/24/19/551092419.db2.gz QQRFLGRIDNNARB-UHFFFAOYSA-N 1 0 382.302 2.813 50 0 in-vitro GFAARO CCOC(=O)N1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000047949159 551154673 /nfs/dbraw/zinc/15/46/73/551154673.db2.gz BNDABWHZJODSTB-UHFFFAOYSA-N 1 0 385.258 2.888 50 0 GFAARO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000156631574 551525965 /nfs/dbraw/zinc/52/59/65/551525965.db2.gz HGCRYQGRVRAIPS-DZGCQCFKSA-N 1 0 378.519 2.780 50 0 GFAARO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)CN2CCCC2=O)C3)cs1 ZINC000180876876 552238694 /nfs/dbraw/zinc/23/86/94/552238694.db2.gz SWYPUOUTPLOUNB-CQSZACIVSA-N 1 0 377.535 2.521 50 0 GFAARO Brc1ccc2nc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)oc2c1 ZINC000241720787 553087473 /nfs/dbraw/zinc/08/74/73/553087473.db2.gz QSHJARWXPJTCLN-ZDUSSCGKSA-N 1 0 380.286 2.744 50 0 GFAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000253430834 553151386 /nfs/dbraw/zinc/15/13/86/553151386.db2.gz MBEQOAGNOIHSSM-DVOMOZLQSA-N 1 0 383.334 2.821 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000299740379 563390659 /nfs/dbraw/zinc/39/06/59/563390659.db2.gz ZCHLWNAFOZCNOT-ZDUSSCGKSA-N 1 0 377.286 2.625 50 0 GFAARO Cc1cccc(CN2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)n1 ZINC000104428960 570258380 /nfs/dbraw/zinc/25/83/80/570258380.db2.gz RWQNQKZEKJELAJ-JOCHJYFZSA-N 1 0 391.519 2.645 50 0 GFAARO CCOc1ccccc1CN1CC[N@@H+](C2CSCCSC2)C[C@H]1CCO ZINC000104466615 570259323 /nfs/dbraw/zinc/25/93/23/570259323.db2.gz AWTBZQJRNNHZRM-GOSISDBHSA-N 1 0 396.622 2.803 50 0 GFAARO COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034682874 570300589 /nfs/dbraw/zinc/30/05/89/570300589.db2.gz GEYJJLFVWWAASB-UHFFFAOYSA-N 1 0 388.464 2.941 50 0 GFAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000022074636 570304916 /nfs/dbraw/zinc/30/49/16/570304916.db2.gz NQWCMEBPQNXJQR-UHFFFAOYSA-N 1 0 398.912 2.727 50 0 GFAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1CCc1ccccc1 ZINC000022913008 570334005 /nfs/dbraw/zinc/33/40/05/570334005.db2.gz UUHOGEVTXLMLMK-DEOSSOPVSA-N 1 0 390.531 2.984 50 0 GFAARO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219356768 570356587 /nfs/dbraw/zinc/35/65/87/570356587.db2.gz PKSSOGSHDDWVNY-UHFFFAOYSA-N 1 0 384.442 2.945 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938803 570375388 /nfs/dbraw/zinc/37/53/88/570375388.db2.gz FHVWFSSNSXOXNC-UHFFFAOYSA-N 1 0 382.508 2.882 50 0 aggregator GFAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182422 570379953 /nfs/dbraw/zinc/37/99/53/570379953.db2.gz NPHIZTQAZOZHEX-UHFFFAOYSA-N 1 0 387.553 2.822 50 0 GFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCn1cccn1 ZINC000583647612 570382450 /nfs/dbraw/zinc/38/24/50/570382450.db2.gz SMIVRFQMPQEAJZ-PMACEKPBSA-N 1 0 376.545 2.793 50 0 GFAARO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000024759103 570391962 /nfs/dbraw/zinc/39/19/62/570391962.db2.gz SXTLTUSSJFVUMA-CQSZACIVSA-N 1 0 397.552 2.613 50 0 GFAARO C[C@H](C[NH+](C)C)OC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000005047101 570405807 /nfs/dbraw/zinc/40/58/07/570405807.db2.gz XBEBFVHOYXMEKW-CLXYIWAZSA-N 1 0 396.443 2.680 50 0 GFAARO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000005057796 570407759 /nfs/dbraw/zinc/40/77/59/570407759.db2.gz UZXXTMVRJBYHCV-VAWYXSNFSA-N 1 0 383.536 2.990 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000025332035 570411473 /nfs/dbraw/zinc/41/14/73/570411473.db2.gz GXERFDZJDDMCOE-ZBFHGGJFSA-N 1 0 375.494 2.612 50 0 GFAARO COc1cc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000025329999 570411476 /nfs/dbraw/zinc/41/14/76/570411476.db2.gz FVRXYXJUYYBJMO-OAHLLOKOSA-N 1 0 378.494 2.736 50 0 GFAARO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)[nH]c2=O ZINC000025440385 570413487 /nfs/dbraw/zinc/41/34/87/570413487.db2.gz FOKKSRMZOVAXIS-QGZVFWFLSA-N 1 0 377.444 2.917 50 0 GFAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 ZINC000027389350 570434208 /nfs/dbraw/zinc/43/42/08/570434208.db2.gz HWQLYSWHAVTMAX-QGZVFWFLSA-N 1 0 385.533 2.909 50 0 GFAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)nn2)CC1 ZINC000247708997 570440499 /nfs/dbraw/zinc/44/04/99/570440499.db2.gz HMEGWJYOGTZWKO-NXHRZFHOSA-N 1 0 386.475 2.576 50 0 GFAARO Cc1ccc(-c2nc(CC(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)cs2)o1 ZINC000176868674 570512170 /nfs/dbraw/zinc/51/21/70/570512170.db2.gz ITFGQMXRCCFGHX-CQSZACIVSA-N 1 0 391.537 2.805 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746581 570531425 /nfs/dbraw/zinc/53/14/25/570531425.db2.gz WTEMJCPHGXBCRD-UHFFFAOYSA-N 1 0 383.496 2.943 50 0 GFAARO Cc1nc2cc(OCc3cc(C(=O)N4CC[C@H]([NH+](C)C)C4)no3)ccc2s1 ZINC000011873414 570589413 /nfs/dbraw/zinc/58/94/13/570589413.db2.gz WRUXLMQTRJSOSC-ZDUSSCGKSA-N 1 0 386.477 2.948 50 0 GFAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C(C)C)[C@H](C)C3)nc2)on1 ZINC000039404916 570590754 /nfs/dbraw/zinc/59/07/54/570590754.db2.gz WZGOPCCYQFZWKE-MRXNPFEDSA-N 1 0 385.512 2.871 50 0 GFAARO CCn1ncc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1C ZINC000039541498 570593372 /nfs/dbraw/zinc/59/33/72/570593372.db2.gz OPUNMPATZMCDBX-OAQYLSRUSA-N 1 0 386.540 2.597 50 0 GFAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)[C@H]1CCCO1 ZINC000011966098 570596220 /nfs/dbraw/zinc/59/62/20/570596220.db2.gz VLRDVESDIFMCFM-IEBWSBKVSA-N 1 0 376.472 2.635 50 0 GFAARO COc1cccc(CNCCC[NH2+]CCO)c1OCc1cccc(Cl)c1 ZINC000040720708 570605447 /nfs/dbraw/zinc/60/54/47/570605447.db2.gz FSXAOXDENGOYDM-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO CC[C@@H](C)[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040722011 570606478 /nfs/dbraw/zinc/60/64/78/570606478.db2.gz VISJZEZZQZJOPZ-QVKFZJNVSA-N 1 0 383.492 2.878 50 0 GFAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C ZINC000012132240 570613556 /nfs/dbraw/zinc/61/35/56/570613556.db2.gz HFUVZENHHNZKFO-UHFFFAOYSA-N 1 0 396.470 2.801 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1 ZINC000012297461 570634318 /nfs/dbraw/zinc/63/43/18/570634318.db2.gz QJCRNMSBCFQTGL-JOCHJYFZSA-N 1 0 381.524 2.881 50 0 GFAARO COc1ccc(C[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)cc1OC ZINC000012314185 570640314 /nfs/dbraw/zinc/64/03/14/570640314.db2.gz XINYBEIEEIUNFZ-UHFFFAOYSA-N 1 0 394.475 2.877 50 0 GFAARO CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 ZINC000048623062 570660051 /nfs/dbraw/zinc/66/00/51/570660051.db2.gz IVACHXWDVWAIFL-GOSISDBHSA-N 1 0 379.508 2.526 50 0 GFAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CN1CCC([NH+]2CCCC2)CC1 ZINC000012440537 570664121 /nfs/dbraw/zinc/66/41/21/570664121.db2.gz YISFJXJZZOWFPJ-HSZRJFAPSA-N 1 0 391.600 2.871 50 0 GFAARO CC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)COC1 ZINC000012459163 570670220 /nfs/dbraw/zinc/67/02/20/570670220.db2.gz KXJCJSJUKAEHGV-HXUWFJFHSA-N 1 0 385.552 2.516 50 0 GFAARO COc1ccc(C(=O)NCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000062581734 570671411 /nfs/dbraw/zinc/67/14/11/570671411.db2.gz QGRXNZQFXQTDCQ-UHFFFAOYSA-N 1 0 387.524 2.540 50 0 GFAARO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000237866935 570678807 /nfs/dbraw/zinc/67/88/07/570678807.db2.gz JBEAIKPIANFEHD-IBGZPJMESA-N 1 0 385.895 2.549 50 0 GFAARO Cc1nc(CC[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)nc2c1CCCC2 ZINC000055035709 570679564 /nfs/dbraw/zinc/67/95/64/570679564.db2.gz NBTDZMLQCSXLNZ-UHFFFAOYSA-N 1 0 391.519 2.826 50 0 GFAARO CSc1cccc(CN2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)c1 ZINC000012592340 570687554 /nfs/dbraw/zinc/68/75/54/570687554.db2.gz VKCZZCWQUCHSBO-RBUKOAKNSA-N 1 0 375.538 2.899 50 0 GFAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000012594993 570688659 /nfs/dbraw/zinc/68/86/59/570688659.db2.gz PBSOBYIWFMOLLO-NRFANRHFSA-N 1 0 378.488 2.882 50 0 GFAARO COc1ccc2c(c1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)CCC2 ZINC000242287988 570689330 /nfs/dbraw/zinc/68/93/30/570689330.db2.gz YKBWWCHAHPNATI-HNNXBMFYSA-N 1 0 375.513 2.740 50 0 GFAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)CCN2CCCCC2=O)C1 ZINC000012712128 570702634 /nfs/dbraw/zinc/70/26/34/570702634.db2.gz PLPOWXNAEVLUCY-NRFANRHFSA-N 1 0 385.552 2.802 50 0 GFAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000058131201 570710254 /nfs/dbraw/zinc/71/02/54/570710254.db2.gz KQWMSJDNYIAMSG-UHFFFAOYSA-N 1 0 375.812 2.549 50 0 GFAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000058172292 570715271 /nfs/dbraw/zinc/71/52/71/570715271.db2.gz AZROHLKGZWVLKS-AWEZNQCLSA-N 1 0 375.270 2.601 50 0 GFAARO CCC(C)(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012794963 570715684 /nfs/dbraw/zinc/71/56/84/570715684.db2.gz XRZNWZRNBLVJEL-UHFFFAOYSA-N 1 0 381.542 2.968 50 0 GFAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000058214999 570720350 /nfs/dbraw/zinc/72/03/50/570720350.db2.gz CYUFKXQADJOKJB-UHFFFAOYSA-N 1 0 395.507 2.854 50 0 GFAARO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042142 570721988 /nfs/dbraw/zinc/72/19/88/570721988.db2.gz JJQBSEVJRCFILN-UHFFFAOYSA-N 1 0 381.476 2.701 50 0 GFAARO Cc1ccc([C@H](CNC(=O)CCn2cnc3ccccc3c2=O)[NH+](C)C)cc1 ZINC000058246417 570722706 /nfs/dbraw/zinc/72/27/06/570722706.db2.gz QPRNZPRDIVCZAC-FQEVSTJZSA-N 1 0 378.476 2.514 50 0 GFAARO C[NH+]1CCC(NC(=O)CSc2ncccc2-c2noc(C3CCC3)n2)CC1 ZINC000065211411 570730987 /nfs/dbraw/zinc/73/09/87/570730987.db2.gz JSKUUHSXUOMLLB-UHFFFAOYSA-N 1 0 387.509 2.702 50 0 GFAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000058885196 570736232 /nfs/dbraw/zinc/73/62/32/570736232.db2.gz LUIYIUHNIKGPGR-XLIONFOSSA-N 1 0 375.538 2.597 50 0 GFAARO C[C@@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000060156303 570740973 /nfs/dbraw/zinc/74/09/73/570740973.db2.gz SEYRUVGKFFAWJO-MAUKXSAKSA-N 1 0 377.916 2.930 50 0 GFAARO O=C(NCCc1ccncc1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256107 570754671 /nfs/dbraw/zinc/75/46/71/570754671.db2.gz RUQWNPPSSNCSDP-OAQYLSRUSA-N 1 0 387.487 2.600 50 0 GFAARO COc1ccc(CNC(=O)CSc2nc3ccccc3c(C)[n+]2C)cc1OC ZINC000032739646 570785327 /nfs/dbraw/zinc/78/53/27/570785327.db2.gz MLIBDGVWZORDHQ-UHFFFAOYSA-N 1 0 397.500 2.667 50 0 GFAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)cc2OC)N2CCOCC2)cc1 ZINC000032735849 570788423 /nfs/dbraw/zinc/78/84/23/570788423.db2.gz VQRDYJXAHBBVOE-NRFANRHFSA-N 1 0 386.492 2.876 50 0 GFAARO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)CCCCC1 ZINC000032772360 570805854 /nfs/dbraw/zinc/80/58/54/570805854.db2.gz PBMDEONGWGKZNI-UHFFFAOYSA-N 1 0 377.554 2.981 50 0 GFAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000033077206 570805951 /nfs/dbraw/zinc/80/59/51/570805951.db2.gz QAIVASPSTJEWEE-GOSISDBHSA-N 1 0 399.516 2.717 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)c1cnn2c1nc(C)cc2C)[NH+]1CCCC1 ZINC000032795221 570815163 /nfs/dbraw/zinc/81/51/63/570815163.db2.gz MMKLYULRUVAHLV-IBGZPJMESA-N 1 0 393.491 2.922 50 0 GFAARO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101277901 570818145 /nfs/dbraw/zinc/81/81/45/570818145.db2.gz VWQFFCVTAAFTNP-RBUKOAKNSA-N 1 0 375.472 2.665 50 0 GFAARO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000032797421 570819911 /nfs/dbraw/zinc/81/99/11/570819911.db2.gz IRJMABGGLQIMHB-UHFFFAOYSA-N 1 0 399.466 2.840 50 0 GFAARO CC(C)[NH+](CCN(C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000012569114 570873437 /nfs/dbraw/zinc/87/34/37/570873437.db2.gz STCGHBAVVZZCDW-GOSISDBHSA-N 1 0 381.542 2.826 50 0 GFAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000534588933 570905557 /nfs/dbraw/zinc/90/55/57/570905557.db2.gz CGVAPXDZZGCIPN-HNNXBMFYSA-N 1 0 376.476 2.807 50 0 GFAARO CN(C)c1cncc(-c2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)n1 ZINC000534661175 570921651 /nfs/dbraw/zinc/92/16/51/570921651.db2.gz ZKAIQPGYTSSUJQ-UHFFFAOYSA-N 1 0 379.508 2.910 50 0 GFAARO CCOc1cc(C[NH2+][C@@H]2C[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000105437931 570924874 /nfs/dbraw/zinc/92/48/74/570924874.db2.gz ZTPWPRKJFHXGFA-SMDDNHRTSA-N 1 0 385.302 2.813 50 0 GFAARO Cc1nc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)nn1-c1ccc(F)cc1 ZINC000004051231 570925349 /nfs/dbraw/zinc/92/53/49/570925349.db2.gz XWAVOIYITWWOKF-UHFFFAOYSA-N 1 0 394.454 2.719 50 0 GFAARO Cc1ccc(OCC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000105638045 570931296 /nfs/dbraw/zinc/93/12/96/570931296.db2.gz AFGXIXDLQYYHKO-QFIPXVFZSA-N 1 0 381.520 2.869 50 0 GFAARO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nn1-c1ccc(F)cc1 ZINC000107540584 570974217 /nfs/dbraw/zinc/97/42/17/570974217.db2.gz YFIJUFWETLVVKV-MOPGFXCFSA-N 1 0 379.439 2.890 50 0 GFAARO COCc1ccc(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000252495649 570975701 /nfs/dbraw/zinc/97/57/01/570975701.db2.gz OUZHHTSTSAVJBY-UHFFFAOYSA-N 1 0 382.508 2.902 50 0 GFAARO COc1ccccc1CN(C)C(=O)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000108141050 570984641 /nfs/dbraw/zinc/98/46/41/570984641.db2.gz NJCXSYULYIWQIH-ROUUACIJSA-N 1 0 378.538 2.640 50 0 GFAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000045376272 570990595 /nfs/dbraw/zinc/99/05/95/570990595.db2.gz UAKVWEGIBWRSDI-UHFFFAOYSA-N 1 0 392.547 2.965 50 0 GFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cn2cncn2)cc1 ZINC000045781103 570996645 /nfs/dbraw/zinc/99/66/45/570996645.db2.gz BEGIIFORGCHZOK-LJQANCHMSA-N 1 0 379.464 2.876 50 0 GFAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000012774874 571028269 /nfs/dbraw/zinc/02/82/69/571028269.db2.gz UKXBLDLYMASJOG-INIZCTEOSA-N 1 0 381.476 2.920 50 0 GFAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000012774869 571028312 /nfs/dbraw/zinc/02/83/12/571028312.db2.gz UKXBLDLYMASJOG-MRXNPFEDSA-N 1 0 381.476 2.920 50 0 GFAARO CC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2OC)C1 ZINC000952976350 665011416 /nfs/dbraw/zinc/01/14/16/665011416.db2.gz MXZYUVHQBRQQJP-LLVKDONJSA-N 1 0 381.325 2.964 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2Br)no1 ZINC000408519282 231049650 /nfs/dbraw/zinc/04/96/50/231049650.db2.gz IEXISOSNCUCJBU-NSHDSACASA-N 1 0 394.269 2.758 50 0 GFAARO CO[C@]12CC[N@H+](Cc3c(C)cc(C)c(CO)c3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426395162 231213491 /nfs/dbraw/zinc/21/34/91/231213491.db2.gz JYBGYISDFPSIDA-YUXAGFNASA-N 1 0 377.525 2.625 50 0 GFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCc2[nH]nc3c2CCCCC3)CC1 ZINC000426491593 231228304 /nfs/dbraw/zinc/22/83/04/231228304.db2.gz WIKFVKVIEOIVAH-UHFFFAOYSA-N 1 0 382.512 2.804 50 0 GFAARO Cc1cc(C)n(C[C@H](C)NC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)n1 ZINC000426634085 231247863 /nfs/dbraw/zinc/24/78/63/231247863.db2.gz CXGUBTGGCDCSEV-KRWDZBQOSA-N 1 0 384.528 2.589 50 0 GFAARO CC(C)CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019223878 210233060 /nfs/dbraw/zinc/23/30/60/210233060.db2.gz AHLZMPBDTCQSSO-IBGZPJMESA-N 1 0 387.524 2.570 50 0 GFAARO COc1cn(CC(=O)Nc2ccc(F)cc2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246004 210207353 /nfs/dbraw/zinc/20/73/53/210207353.db2.gz JQWMBOBTIZEBDJ-UHFFFAOYSA-N 1 0 387.455 2.867 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000015786148 210170655 /nfs/dbraw/zinc/17/06/55/210170655.db2.gz PTFZRVIGYPJTBC-FQEVSTJZSA-N 1 0 379.504 2.566 50 0 GFAARO Cn1nc(C(=O)NCC[N@H+](C)Cc2ccccc2)c2c1-c1ccccc1OC2 ZINC000015674303 210163049 /nfs/dbraw/zinc/16/30/49/210163049.db2.gz RKAUOILWFBKHCF-UHFFFAOYSA-N 1 0 376.460 2.841 50 0 GFAARO Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000015641775 210161045 /nfs/dbraw/zinc/16/10/45/210161045.db2.gz LNSZEQGWSHFVNL-UHFFFAOYSA-N 1 0 379.386 2.808 50 0 GFAARO COc1cc(C[C@@H]2CC(C[NH+]3CCCCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015085876 210151889 /nfs/dbraw/zinc/15/18/89/210151889.db2.gz VNDUAOKBTMOHMM-MRXNPFEDSA-N 1 0 376.453 2.996 50 0 GFAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cnn1C ZINC000015074018 210149733 /nfs/dbraw/zinc/14/97/33/210149733.db2.gz IUSYOHQYLXQLJB-KRWDZBQOSA-N 1 0 378.480 2.969 50 0 GFAARO CC[C@@H]1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CC[N@@H+]1C ZINC000015077404 210149697 /nfs/dbraw/zinc/14/96/97/210149697.db2.gz JTPNDLLOAGEEGG-LJQANCHMSA-N 1 0 398.555 2.752 50 0 GFAARO Cc1nnc([C@H](C)NC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)[nH]1 ZINC000015062186 210144448 /nfs/dbraw/zinc/14/44/48/210144448.db2.gz ZHAZIDGFOHBNMF-INIZCTEOSA-N 1 0 389.503 2.960 50 0 GFAARO O=C(CC1CCCCC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000014950121 210130283 /nfs/dbraw/zinc/13/02/83/210130283.db2.gz AYQLAOWBYJBDCY-GOSISDBHSA-N 1 0 375.557 2.938 50 0 GFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014751334 210127013 /nfs/dbraw/zinc/12/70/13/210127013.db2.gz SIKYSHQTBNLERT-SFHVURJKSA-N 1 0 378.520 2.661 50 0 GFAARO CCOCCC[NH2+][C@@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 ZINC000014754687 210126083 /nfs/dbraw/zinc/12/60/83/210126083.db2.gz FMKPOIIFSWGJEC-QGZVFWFLSA-N 1 0 376.545 2.697 50 0 GFAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)s1 ZINC000014731464 210125264 /nfs/dbraw/zinc/12/52/64/210125264.db2.gz SPMMPHPQNRFGQM-UHFFFAOYSA-N 1 0 384.505 2.880 50 0 GFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014543347 210121167 /nfs/dbraw/zinc/12/11/67/210121167.db2.gz YWDAWQYUYRHMMC-UHFFFAOYSA-N 1 0 378.476 2.553 50 0 GFAARO CC[NH+]1CCC(N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccc3)C2)CC1 ZINC000014534572 210119384 /nfs/dbraw/zinc/11/93/84/210119384.db2.gz CJNJLVIILFQIKA-QFIPXVFZSA-N 1 0 387.568 2.856 50 0 GFAARO COC(=O)c1sc(NC(=O)CC[N@H+](C)Cc2ccco2)c(C(=O)OC)c1C ZINC000014199662 210110116 /nfs/dbraw/zinc/11/01/16/210110116.db2.gz ZFYAZIKQYRDRGQ-UHFFFAOYSA-N 1 0 394.449 2.683 50 0 GFAARO CCC(CC)[C@@H](CNC(=O)CCc1cc(OC)cc(OC)c1)[NH+]1CCOCC1 ZINC000013010735 210046560 /nfs/dbraw/zinc/04/65/60/210046560.db2.gz GZILDNZALHBSNL-OAQYLSRUSA-N 1 0 392.540 2.890 50 0 GFAARO COc1ccc([C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)[NH+](C)C)cc1 ZINC000012908060 210026766 /nfs/dbraw/zinc/02/67/66/210026766.db2.gz QMIVBBMLJCKIQH-ZDUSSCGKSA-N 1 0 380.374 2.867 50 0 GFAARO COc1ccc2c(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)coc2c1 ZINC000012775394 210006517 /nfs/dbraw/zinc/00/65/17/210006517.db2.gz XEPJVKLDVJKYBO-UHFFFAOYSA-N 1 0 380.448 2.769 50 0 GFAARO NC(=O)N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000012754980 210001056 /nfs/dbraw/zinc/00/10/56/210001056.db2.gz UDKLMEWTQWVEHP-FQEVSTJZSA-N 1 0 380.492 2.698 50 0 GFAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCCc2ccncc2)cc1 ZINC000011787664 209883851 /nfs/dbraw/zinc/88/38/51/209883851.db2.gz RLAUTVFSVAEBPP-NRFANRHFSA-N 1 0 395.503 2.972 50 0 GFAARO O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002766812 209384199 /nfs/dbraw/zinc/38/41/99/209384199.db2.gz RNKTUUDXBRIIJB-LLVKDONJSA-N 1 0 376.810 2.739 50 0 GFAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)NC(=O)NCc1ccco1 ZINC000010140254 209321208 /nfs/dbraw/zinc/32/12/08/209321208.db2.gz ZCRSIUNQNXERRQ-UHFFFAOYSA-N 1 0 380.448 2.966 50 0 GFAARO CNC(=O)c1ccc(/C=C\C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000096401544 209239690 /nfs/dbraw/zinc/23/96/90/209239690.db2.gz YQVWLPNCLGFPBC-XFXZXTDPSA-N 1 0 377.488 2.624 50 0 GFAARO Cc1nn(C)c(Cl)c1CN1CC[N@H+](Cc2ccc(C)cc2)[C@H](CCO)C1 ZINC000058494574 209212432 /nfs/dbraw/zinc/21/24/32/209212432.db2.gz MWDNVIMDGGXUNO-GOSISDBHSA-N 1 0 376.932 2.759 50 0 GFAARO Cc1cnc(C)c(-c2cccc(C(=O)NCC[C@@H](C)[NH+]3CCN(C)CC3)c2)n1 ZINC000299798978 212038223 /nfs/dbraw/zinc/03/82/23/212038223.db2.gz UAOZTSQEGDDKTR-QGZVFWFLSA-N 1 0 381.524 2.516 50 0 GFAARO OC[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)ncc2-c2cccc(F)c2)CC1 ZINC000299785018 212037782 /nfs/dbraw/zinc/03/77/82/212037782.db2.gz IMMVDJGQCYXRSV-HNNXBMFYSA-N 1 0 399.388 2.834 50 0 GFAARO C[C@@H](c1ccc(C(=O)NCc2cccnc2-n2cncn2)o1)[NH+]1CCCCC1 ZINC000299782364 212037258 /nfs/dbraw/zinc/03/72/58/212037258.db2.gz VOHJUDXUNRXHRK-HNNXBMFYSA-N 1 0 380.452 2.732 50 0 GFAARO COCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000299782362 212037151 /nfs/dbraw/zinc/03/71/51/212037151.db2.gz PPORWODVTYAIJG-UHFFFAOYSA-N 1 0 384.480 2.893 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cccc(-n4cccn4)c3)cc2C1 ZINC000299760610 212033213 /nfs/dbraw/zinc/03/32/13/212033213.db2.gz VMIIGGCEABOMAK-UHFFFAOYSA-N 1 0 378.480 2.615 50 0 GFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000100570042 211388839 /nfs/dbraw/zinc/38/88/39/211388839.db2.gz MYMWMEKHLYUVLQ-QGZVFWFLSA-N 1 0 386.835 2.938 50 0 GFAARO COc1ccc(S(=O)(=O)N2CC([NH2+]C3CC(c4ccccc4C)C3)C2)cc1 ZINC000097162387 211360653 /nfs/dbraw/zinc/36/06/53/211360653.db2.gz FRYCPYLYROLHPO-UHFFFAOYSA-N 1 0 386.517 2.912 50 0 GFAARO Cc1cccn2c(CC(=O)N[C@@H]3CCC[N@H+](Cc4cccc(O)c4)C3)cnc12 ZINC000097729586 211370532 /nfs/dbraw/zinc/37/05/32/211370532.db2.gz GNTIITWENONDBN-GOSISDBHSA-N 1 0 378.476 2.672 50 0 GFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000097642308 211368301 /nfs/dbraw/zinc/36/83/01/211368301.db2.gz OCGKQFICRHCSKS-GOSISDBHSA-N 1 0 375.476 2.999 50 0 GFAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097514360 211364349 /nfs/dbraw/zinc/36/43/49/211364349.db2.gz GPVSKTPNZYCWED-MRXNPFEDSA-N 1 0 379.435 2.887 50 0 GFAARO O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097173358 211362074 /nfs/dbraw/zinc/36/20/74/211362074.db2.gz POMVSZLQVJXTAX-CQSZACIVSA-N 1 0 386.477 2.865 50 0 GFAARO COc1cc2c(cc1C[NH+]1CCC(c3nnc(CN(C)C)n3C)CC1)CCC2 ZINC000096133812 211303814 /nfs/dbraw/zinc/30/38/14/211303814.db2.gz CQPKQGRQYAMTLR-UHFFFAOYSA-N 1 0 383.540 2.754 50 0 GFAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000096139708 211306818 /nfs/dbraw/zinc/30/68/18/211306818.db2.gz AUAVVJMBHUFSQM-QGZVFWFLSA-N 1 0 378.480 2.597 50 0 GFAARO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000095943566 211283785 /nfs/dbraw/zinc/28/37/85/211283785.db2.gz KJRBPKRQPDPAGY-FQEVSTJZSA-N 1 0 396.915 2.627 50 0 GFAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccc(=O)n(C)c1 ZINC000095517512 211263577 /nfs/dbraw/zinc/26/35/77/211263577.db2.gz GGWDBRUBVJTPKN-UHFFFAOYSA-N 1 0 385.483 2.551 50 0 GFAARO CCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000095526591 211273408 /nfs/dbraw/zinc/27/34/08/211273408.db2.gz NGPGXGGZYPUZDS-KRWDZBQOSA-N 1 0 388.556 2.762 50 0 GFAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cn2cccnc2n1 ZINC000095525612 211271722 /nfs/dbraw/zinc/27/17/22/211271722.db2.gz DQXZHUOSYIOZDS-UHFFFAOYSA-N 1 0 395.482 2.895 50 0 GFAARO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(C(=O)c3cccnc3)CC1)C2 ZINC000095516665 211265066 /nfs/dbraw/zinc/26/50/66/211265066.db2.gz RQKRGOLQVUUMGU-INIZCTEOSA-N 1 0 381.476 2.536 50 0 GFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC2(CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000095509292 211260753 /nfs/dbraw/zinc/26/07/53/211260753.db2.gz WVXAOTKVFVTNQD-NRFANRHFSA-N 1 0 391.515 2.598 50 0 GFAARO COc1ccc(CN2CC(c3cccnc3)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095507732 211258487 /nfs/dbraw/zinc/25/84/87/211258487.db2.gz UUUJOXVFIXUYHM-NRFANRHFSA-N 1 0 397.519 2.525 50 0 GFAARO Cc1nc2ccc(C(=O)N3CCCO[C@H](C[NH+]4CCCCC4)C3)cc2nc1C ZINC000095504580 211256162 /nfs/dbraw/zinc/25/61/62/211256162.db2.gz WKRRQDZXXJVYEN-LJQANCHMSA-N 1 0 382.508 2.964 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000095501887 211254958 /nfs/dbraw/zinc/25/49/58/211254958.db2.gz KDAAMLICAGRNEA-KRWDZBQOSA-N 1 0 396.915 2.738 50 0 GFAARO CCC[C@H](C)CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000095399849 211238687 /nfs/dbraw/zinc/23/86/87/211238687.db2.gz FCWVOWSRTAJTFB-FXAWDEMLSA-N 1 0 382.570 2.788 50 0 GFAARO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(OCCO)cc2)C1 ZINC000095389383 211237417 /nfs/dbraw/zinc/23/74/17/211237417.db2.gz VKSODNRSTVKWPN-TZIWHRDSSA-N 1 0 380.488 2.794 50 0 GFAARO O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385215 211234809 /nfs/dbraw/zinc/23/48/09/211234809.db2.gz RJYYPPVMVNWKOP-QXAKKESOSA-N 1 0 383.879 2.731 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@@H]1CO ZINC000095371162 211227742 /nfs/dbraw/zinc/22/77/42/211227742.db2.gz GOTKHLZGLXSCQC-WOJBJXKFSA-N 1 0 382.504 2.612 50 0 GFAARO CCN1CCC([N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095362906 211226419 /nfs/dbraw/zinc/22/64/19/211226419.db2.gz JMIQODBHJHINOK-WWPVKYPJSA-N 1 0 383.536 2.762 50 0 GFAARO CC(C)c1nnc(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)s1 ZINC000091906614 211209788 /nfs/dbraw/zinc/20/97/88/211209788.db2.gz SWBPRJSXDINNPV-UHFFFAOYSA-N 1 0 379.574 2.822 50 0 GFAARO Cc1oc(-c2cccc(F)c2)nc1CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091657324 211200995 /nfs/dbraw/zinc/20/09/95/211200995.db2.gz GJJXEEPZNDHDJU-NRFANRHFSA-N 1 0 386.471 2.575 50 0 GFAARO O=C(CN1CCCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091626235 211198778 /nfs/dbraw/zinc/19/87/78/211198778.db2.gz PPIXCKUHGRBVHY-LEWJYISDSA-N 1 0 383.536 2.555 50 0 GFAARO C[N@@H+](Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)C[C@H]1CCN(c2ccccc2)C1 ZINC000091594813 211197340 /nfs/dbraw/zinc/19/73/40/211197340.db2.gz HKCGVLRKEJTMJX-MRXNPFEDSA-N 1 0 390.487 2.585 50 0 GFAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000091594448 211196824 /nfs/dbraw/zinc/19/68/24/211196824.db2.gz ODICJQYCWSVWIN-OAQYLSRUSA-N 1 0 385.552 2.530 50 0 GFAARO NC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cc1 ZINC000091819314 211208702 /nfs/dbraw/zinc/20/87/02/211208702.db2.gz MTZMJCCJTBEKKA-XMSQKQJNSA-N 1 0 375.516 2.849 50 0 GFAARO C[C@@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000091846064 211208723 /nfs/dbraw/zinc/20/87/23/211208723.db2.gz WFORZBVKODBNKU-SFHVURJKSA-N 1 0 381.524 2.764 50 0 GFAARO Cc1ccc(-c2ncc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c(=O)[nH]2)cc1 ZINC000091747094 211206347 /nfs/dbraw/zinc/20/63/47/211206347.db2.gz FTRXFLZUIFMXPZ-MRXNPFEDSA-N 1 0 380.492 2.740 50 0 GFAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)n2)CC1 ZINC000091289038 211190932 /nfs/dbraw/zinc/19/09/32/211190932.db2.gz WCLSKDLJGWEALA-KRWDZBQOSA-N 1 0 386.471 2.999 50 0 GFAARO CC(=O)N[C@@H]1C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccc(C)o1 ZINC000091326896 211190350 /nfs/dbraw/zinc/19/03/50/211190350.db2.gz UEWQKUIVWHEHFO-UYAOXDASSA-N 1 0 379.460 2.842 50 0 GFAARO CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)NCC[NH+](C)C ZINC000089856454 211185166 /nfs/dbraw/zinc/18/51/66/211185166.db2.gz PIWNMCGBBBDIII-KRWDZBQOSA-N 1 0 392.931 2.503 50 0 GFAARO CSCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082138543 211161296 /nfs/dbraw/zinc/16/12/96/211161296.db2.gz OGLCGVWMNOXDCN-LJQANCHMSA-N 1 0 390.597 2.579 50 0 GFAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000082126400 211162687 /nfs/dbraw/zinc/16/26/87/211162687.db2.gz DNBKSAYWSVCSNW-KRWDZBQOSA-N 1 0 377.448 2.580 50 0 GFAARO COC[C@@H](C)n1c(CCCC(=O)N2CC[N@H+](C)C(C)(C)C2)nc2cccnc21 ZINC000077485535 211134268 /nfs/dbraw/zinc/13/42/68/211134268.db2.gz YBMLEUMJAPZXDE-MRXNPFEDSA-N 1 0 387.528 2.514 50 0 GFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077456540 211133713 /nfs/dbraw/zinc/13/37/13/211133713.db2.gz FGWGEDUBMZFSBU-IBGZPJMESA-N 1 0 385.508 2.527 50 0 GFAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000072439262 211120549 /nfs/dbraw/zinc/12/05/49/211120549.db2.gz CYBISUOGNGLMJD-LJQANCHMSA-N 1 0 388.552 2.699 50 0 GFAARO Cc1c[nH]c(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072143876 211076508 /nfs/dbraw/zinc/07/65/08/211076508.db2.gz LLLXXLHCWJGCDS-MAODMQOUSA-N 1 0 379.460 2.754 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072159406 211078581 /nfs/dbraw/zinc/07/85/81/211078581.db2.gz IIPCRYPUFGQCTB-VLCRHTCISA-N 1 0 376.504 2.909 50 0 GFAARO O=C(c1cccc(N2CCNC2=O)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000071820064 211064773 /nfs/dbraw/zinc/06/47/73/211064773.db2.gz ZIFISZSEPNVEFY-UHFFFAOYSA-N 1 0 384.524 2.944 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777208 211062228 /nfs/dbraw/zinc/06/22/28/211062228.db2.gz UWTWNVHYWJUGAY-LJQANCHMSA-N 1 0 388.531 2.719 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760420 211058647 /nfs/dbraw/zinc/05/86/47/211058647.db2.gz SSRBBINJZMQWJI-HXUWFJFHSA-N 1 0 385.552 2.864 50 0 GFAARO CCN(CC)C(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071753374 211056794 /nfs/dbraw/zinc/05/67/94/211056794.db2.gz VCQGBLQMRRJHCF-LJQANCHMSA-N 1 0 377.504 2.753 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)c2cccn(C)c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749331 211055593 /nfs/dbraw/zinc/05/55/93/211055593.db2.gz OKMQQYQCXOKCQN-FQEVSTJZSA-N 1 0 385.483 2.897 50 0 GFAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071498266 211049756 /nfs/dbraw/zinc/04/97/56/211049756.db2.gz CFASILGBFKJTOQ-SFHVURJKSA-N 1 0 386.540 2.591 50 0 GFAARO CSCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071479397 211049708 /nfs/dbraw/zinc/04/97/08/211049708.db2.gz UQYYUOIGFUSRLK-LJQANCHMSA-N 1 0 390.597 2.627 50 0 GFAARO O=C(c1cccc(F)c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071575176 211049546 /nfs/dbraw/zinc/04/95/46/211049546.db2.gz HFJBOYKCRFYXJM-SFHVURJKSA-N 1 0 387.499 2.765 50 0 GFAARO Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)n1 ZINC000071415729 211047636 /nfs/dbraw/zinc/04/76/36/211047636.db2.gz NSXLSXNKKZKFGH-KRWDZBQOSA-N 1 0 385.556 2.868 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCOCC1 ZINC000071404250 211047474 /nfs/dbraw/zinc/04/74/74/211047474.db2.gz IVYWPQVLHIHMAQ-OAQYLSRUSA-N 1 0 385.552 2.612 50 0 GFAARO C[C@H]1C[NH+](CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@H](C)O1 ZINC000070006672 211039658 /nfs/dbraw/zinc/03/96/58/211039658.db2.gz YZMIMIXHELCFDH-HOTGVXAUSA-N 1 0 385.512 2.776 50 0 GFAARO O=S1(=O)CC[C@H](n2cc(C3=CC[N@H+](CCCc4ccccc4)CC3)cn2)C1 ZINC000067841533 211024444 /nfs/dbraw/zinc/02/44/44/211024444.db2.gz ICTANZGXTJWSTO-NRFANRHFSA-N 1 0 385.533 2.965 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cccc(C)c3)C2=O)c1OC ZINC000067934702 211028990 /nfs/dbraw/zinc/02/89/90/211028990.db2.gz MUOVDFMPBXEWGM-QHCPKHFHSA-N 1 0 398.503 2.656 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+]3CCN(C)C(C)(C)C3)C2=O)cc1 ZINC000067724961 211020036 /nfs/dbraw/zinc/02/00/36/211020036.db2.gz JHLTWURCAFZKSG-HSZRJFAPSA-N 1 0 387.568 2.690 50 0 GFAARO CN(Cc1cccc2cnccc21)C(=O)[C@@H]1C[C@@H](NC(=O)CC2CCCC2)C[NH2+]1 ZINC000067472824 211010439 /nfs/dbraw/zinc/01/04/39/211010439.db2.gz AZBHOWJGXDUEFC-CTNGQTDRSA-N 1 0 394.519 2.620 50 0 GFAARO CCCCc1nc(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)c[nH]1 ZINC000067489833 211010494 /nfs/dbraw/zinc/01/04/94/211010494.db2.gz NAJCGRQODCMYIU-UHFFFAOYSA-N 1 0 389.588 2.907 50 0 GFAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccc1F ZINC000067490256 211009417 /nfs/dbraw/zinc/00/94/17/211009417.db2.gz FLSRBDHKOCCMCE-QFIPXVFZSA-N 1 0 399.441 2.998 50 0 GFAARO COc1cccc(-c2noc(-c3ccc(N4CC[C@@H]([NH+](C)C)C4)nc3)n2)c1OC ZINC000039379323 210761194 /nfs/dbraw/zinc/76/11/94/210761194.db2.gz WNNDUDPRENCZDZ-OAHLLOKOSA-N 1 0 395.463 2.956 50 0 GFAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000024855467 210472216 /nfs/dbraw/zinc/47/22/16/210472216.db2.gz PGOVLJBLGISLCA-UHFFFAOYSA-N 1 0 377.488 2.922 50 0 GFAARO COCCNC(=O)[C@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022774409 210423168 /nfs/dbraw/zinc/42/31/68/210423168.db2.gz GZIYDOFDWCEOLJ-IBGZPJMESA-N 1 0 381.520 2.545 50 0 GFAARO CC[NH+](CC)CCCN/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000023108060 210433813 /nfs/dbraw/zinc/43/38/13/210433813.db2.gz LKONWIZKSLOGPD-MNDPQUGUSA-N 1 0 378.476 2.931 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535395 210385824 /nfs/dbraw/zinc/38/58/24/210385824.db2.gz MGWVQXKKQWWFSF-UHFFFAOYSA-N 1 0 390.557 2.781 50 0 GFAARO Cc1nn(C)c(Cl)c1CN1CC[N@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000020998802 210373230 /nfs/dbraw/zinc/37/32/30/210373230.db2.gz MWDNVIMDGGXUNO-SFHVURJKSA-N 1 0 376.932 2.759 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)CC2)cc(C)[nH+]1 ZINC000020911861 210368614 /nfs/dbraw/zinc/36/86/14/210368614.db2.gz WCCHDSGCRNUGSJ-UHFFFAOYSA-N 1 0 388.471 2.532 50 0 GFAARO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)CC1 ZINC000020608813 210352798 /nfs/dbraw/zinc/35/27/98/210352798.db2.gz VSFZSJUUMINWGC-UHFFFAOYSA-N 1 0 393.553 2.768 50 0 GFAARO Cc1n[nH]c(C)c1CN(C)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000020209130 210322118 /nfs/dbraw/zinc/32/21/18/210322118.db2.gz UPJITLSQIRSVPN-GOSISDBHSA-N 1 0 384.528 2.662 50 0 GFAARO CCOc1ccc(C(=O)N[C@@H](NCC[NH+](C)C)C(Cl)(Cl)Cl)cc1 ZINC000020149936 210319363 /nfs/dbraw/zinc/31/93/63/210319363.db2.gz XDSVJTLZDKCZDW-CQSZACIVSA-N 1 0 382.719 2.663 50 0 GFAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+][C@@H]1CCOC1 ZINC000020136766 210318330 /nfs/dbraw/zinc/31/83/30/210318330.db2.gz HNJWANYCJATMBX-MRXNPFEDSA-N 1 0 384.505 2.589 50 0 GFAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NC(C)C)cc12 ZINC000020136160 210317380 /nfs/dbraw/zinc/31/73/80/210317380.db2.gz IKMCGRBBNYJYGF-UHFFFAOYSA-N 1 0 397.523 2.538 50 0 GFAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000019832317 210300121 /nfs/dbraw/zinc/30/01/21/210300121.db2.gz CUPPBXSBGNDUNR-INIZCTEOSA-N 1 0 389.249 2.879 50 0 GFAARO O=C1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019809597 210297943 /nfs/dbraw/zinc/29/79/43/210297943.db2.gz QHQNUURBBSFXLV-SFHVURJKSA-N 1 0 375.900 2.922 50 0 GFAARO c1ccc(-c2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)nc1 ZINC000019790860 210296698 /nfs/dbraw/zinc/29/66/98/210296698.db2.gz XMIURZWQSZYFIH-LJQANCHMSA-N 1 0 375.476 2.807 50 0 GFAARO O[C@@H]1CCN(Cc2cn(C3CC[NH+](Cc4cccc5ccccc54)CC3)nn2)C1 ZINC000019744826 210291069 /nfs/dbraw/zinc/29/10/69/210291069.db2.gz IAVYXITVBCJLIL-JOCHJYFZSA-N 1 0 391.519 2.835 50 0 GFAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]1 ZINC000017012588 221375236 /nfs/dbraw/zinc/37/52/36/221375236.db2.gz JUKGMXOOOPBCEE-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO CCc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000064799747 136157645 /nfs/dbraw/zinc/15/76/45/136157645.db2.gz DPOMWNKGUVJREU-UHFFFAOYSA-N 1 0 379.508 2.910 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023767 136158758 /nfs/dbraw/zinc/15/87/58/136158758.db2.gz BEAHUKCNKGHQAN-IBGZPJMESA-N 1 0 381.524 2.818 50 0 GFAARO CCCc1cnc(C)nc1N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000071745473 136165993 /nfs/dbraw/zinc/16/59/93/136165993.db2.gz YZXJERMDHIDEAM-UHFFFAOYSA-N 1 0 385.556 2.697 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(c3ncnc4c3CCC4)C[C@@H]2CCO)c(C)c1C ZINC000072406777 136169478 /nfs/dbraw/zinc/16/94/78/136169478.db2.gz PZXQHQXDNMEKAK-IBGZPJMESA-N 1 0 396.535 2.664 50 0 GFAARO C[C@@H](NC(=O)CCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O)c1ccccc1 ZINC000082161032 136174291 /nfs/dbraw/zinc/17/42/91/136174291.db2.gz UTOIUIKZFYPSDT-QGZVFWFLSA-N 1 0 392.503 2.835 50 0 GFAARO CCc1cc(N2CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC2)ncn1 ZINC000095467220 136179447 /nfs/dbraw/zinc/17/94/47/136179447.db2.gz IOCGTGFRZNCWGS-UHFFFAOYSA-N 1 0 377.533 2.901 50 0 GFAARO C[NH+]1CCN(Cc2ccc(N3CCC[C@@H](c4nccn4CC4CC4)C3)nc2)CC1 ZINC000095518500 136181073 /nfs/dbraw/zinc/18/10/73/136181073.db2.gz RLGJCFWWPVRNTD-OAQYLSRUSA-N 1 0 394.567 2.820 50 0 GFAARO COC(=O)c1cncc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096138300 136184288 /nfs/dbraw/zinc/18/42/88/136184288.db2.gz OCSJUWYEYRKOTC-GOSISDBHSA-N 1 0 380.492 2.969 50 0 GFAARO COC(=O)c1cc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)oc1C ZINC000096926405 136187880 /nfs/dbraw/zinc/18/78/80/136187880.db2.gz IUNBJMFZXGCYMV-HJWRWDBZSA-N 1 0 383.448 2.778 50 0 GFAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000007109265 136195242 /nfs/dbraw/zinc/19/52/42/136195242.db2.gz PGIULXIHINLOCC-UHFFFAOYSA-N 1 0 375.494 2.638 50 0 GFAARO Cc1ccc(C(=O)NCCc2nccc(-c3ccccc3)n2)cc1OCC[NH3+] ZINC000426598854 534266820 /nfs/dbraw/zinc/26/68/20/534266820.db2.gz KXSNEEKQLCHIAK-UHFFFAOYSA-N 1 0 376.460 2.762 50 0 GFAARO Cc1nc([C@H]2CCOC2)cc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000426383137 534614549 /nfs/dbraw/zinc/61/45/49/534614549.db2.gz NFVKSWHHMAWGJW-FQEVSTJZSA-N 1 0 378.520 2.968 50 0 GFAARO O=C(c1ccccc1-n1cnnc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426658511 534747981 /nfs/dbraw/zinc/74/79/81/534747981.db2.gz RAFSEULOZPBQLV-FQEVSTJZSA-N 1 0 387.487 2.583 50 0 GFAARO CCOc1c(Br)cc(C[NH2+]CCOCCO)cc1Br ZINC000010436468 551105040 /nfs/dbraw/zinc/10/50/40/551105040.db2.gz MNDRZLHBKOULIB-UHFFFAOYSA-N 1 0 397.107 2.709 50 0 GFAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012976509 551108360 /nfs/dbraw/zinc/10/83/60/551108360.db2.gz WBLQZWIJNJNPRT-UHFFFAOYSA-N 1 0 375.332 2.849 50 0 GFAARO CC[NH+]1CCC(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000027437990 551122570 /nfs/dbraw/zinc/12/25/70/551122570.db2.gz UTTSYZMJYOXQHO-UHFFFAOYSA-N 1 0 379.917 2.818 50 0 GFAARO CN1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000041362360 551135347 /nfs/dbraw/zinc/13/53/47/551135347.db2.gz GBOJYBYCYPROGU-UHFFFAOYSA-N 1 0 388.737 2.860 50 0 GFAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(Br)c(C=O)n1C ZINC000107051271 551201557 /nfs/dbraw/zinc/20/15/57/551201557.db2.gz RKXZVTBRIMPSPC-XQQFMLRXSA-N 1 0 384.318 2.696 50 0 GFAARO C[N@H+](CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000170618793 551636328 /nfs/dbraw/zinc/63/63/28/551636328.db2.gz QBYXCBSHKYBCLY-UHFFFAOYSA-N 1 0 391.306 2.836 50 0 GFAARO CC[C@@H]1C[N@@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000033830337 560088868 /nfs/dbraw/zinc/08/88/68/560088868.db2.gz DAXYUDFNWXHGBE-NRAMRBJXSA-N 1 0 384.476 2.700 50 0 biogenic,in-vitro GFAARO C[C@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000048374673 570249923 /nfs/dbraw/zinc/24/99/23/570249923.db2.gz CQYUHNDCLJUTLO-GJZGRUSLSA-N 1 0 380.535 2.836 50 0 GFAARO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104465848 570259289 /nfs/dbraw/zinc/25/92/89/570259289.db2.gz HGRKTTWNGMFETB-JOCHJYFZSA-N 1 0 382.504 2.850 50 0 GFAARO Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2CCO ZINC000000646720 570280292 /nfs/dbraw/zinc/28/02/92/570280292.db2.gz KPZAOZZWNNPUFO-UHFFFAOYSA-N 1 0 377.857 2.511 50 0 GFAARO COc1cc(CNCC[NH2+]CCO)ccc1OCc1c(F)cccc1Cl ZINC000022074897 570304925 /nfs/dbraw/zinc/30/49/25/570304925.db2.gz PBPQOQJOSBMTHP-UHFFFAOYSA-N 1 0 382.863 2.738 50 0 GFAARO COc1cc(C[NH2+]CCO)cc(I)c1OC1CCCC1 ZINC000002863692 570312381 /nfs/dbraw/zinc/31/23/81/570312381.db2.gz XQOSOYDUBZHFET-UHFFFAOYSA-N 1 0 391.249 2.703 50 0 GFAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000108404529 570312747 /nfs/dbraw/zinc/31/27/47/570312747.db2.gz AUAVVJMBHUFSQM-KRWDZBQOSA-N 1 0 378.480 2.597 50 0 GFAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000053392134 570322343 /nfs/dbraw/zinc/32/23/43/570322343.db2.gz FPKZLIDFRCDSJA-OAHLLOKOSA-N 1 0 375.538 2.752 50 0 GFAARO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CCc1ccccc1 ZINC000022913298 570334033 /nfs/dbraw/zinc/33/40/33/570334033.db2.gz AXBDCKZDHSAWQZ-JOCHJYFZSA-N 1 0 390.531 2.984 50 0 GFAARO COc1cccc(CN2CCC[C@H]([NH2+]CC(C)(C)CN3CCOCC3)C2)c1 ZINC000023373150 570357867 /nfs/dbraw/zinc/35/78/67/570357867.db2.gz MKOWBGCIUWBFDJ-FQEVSTJZSA-N 1 0 375.557 2.608 50 0 GFAARO C[N@H+](CC(C)(C)CN1CCOCC1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000023372838 570357909 /nfs/dbraw/zinc/35/79/09/570357909.db2.gz UBGSCDBDPNCBJV-QFIPXVFZSA-N 1 0 385.596 2.908 50 0 GFAARO Cn1ncc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CCCn3cccn3)s2)n1 ZINC000023380012 570359559 /nfs/dbraw/zinc/35/95/59/570359559.db2.gz RCXBSYGFBBVOJE-AWEZNQCLSA-N 1 0 385.497 2.553 50 0 GFAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023652260 570368008 /nfs/dbraw/zinc/36/80/08/570368008.db2.gz ZUTGZBUZGCQQJA-WOJBJXKFSA-N 1 0 399.535 2.572 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccccc1 ZINC000024983711 570401413 /nfs/dbraw/zinc/40/14/13/570401413.db2.gz DKKHZOYPINPANO-OAQYLSRUSA-N 1 0 392.503 2.904 50 0 GFAARO CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCOCC1 ZINC000024988181 570402025 /nfs/dbraw/zinc/40/20/25/570402025.db2.gz JHEMOUNXGDYQER-UHFFFAOYSA-N 1 0 388.556 2.583 50 0 GFAARO CC(C)C[C@H](C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)n1cccc1 ZINC000253399679 570420255 /nfs/dbraw/zinc/42/02/55/570420255.db2.gz DEZCGEZQNPAUQS-OAQYLSRUSA-N 1 0 384.524 2.828 50 0 GFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000054226674 570456621 /nfs/dbraw/zinc/45/66/21/570456621.db2.gz FCLZRQJWBSZGNS-UZLBHIALSA-N 1 0 386.517 2.797 50 0 GFAARO C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccccc3)n2)CC1 ZINC000035929427 570480149 /nfs/dbraw/zinc/48/01/49/570480149.db2.gz RKKYAOSTBQPYJU-UHFFFAOYSA-N 1 0 399.502 2.876 50 0 GFAARO CC(=O)N1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000030057241 570486201 /nfs/dbraw/zinc/48/62/01/570486201.db2.gz WPNNJFNYOLVBBL-QFIPXVFZSA-N 1 0 393.487 2.581 50 0 GFAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006776489 570492756 /nfs/dbraw/zinc/49/27/56/570492756.db2.gz WGLPBHKIVUYUBD-QGZVFWFLSA-N 1 0 393.915 2.519 50 0 GFAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccnc2)N(CCC[NH+](C)C)C1=O ZINC000006660275 570524114 /nfs/dbraw/zinc/52/41/14/570524114.db2.gz UGSFFFRKWPHXMQ-IBGZPJMESA-N 1 0 393.443 2.694 50 0 GFAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2)c1 ZINC000036098569 570536682 /nfs/dbraw/zinc/53/66/82/570536682.db2.gz LWSCZZWULJJXBT-QFIPXVFZSA-N 1 0 384.520 2.569 50 0 GFAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COc1ccccc1C ZINC000036104386 570540654 /nfs/dbraw/zinc/54/06/54/570540654.db2.gz HYAAPNZUJMLURX-HSZRJFAPSA-N 1 0 398.547 2.878 50 0 GFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000023282183 570541522 /nfs/dbraw/zinc/54/15/22/570541522.db2.gz CXDZNAVEHDUFII-GOSISDBHSA-N 1 0 384.524 2.565 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccsc2)CC1 ZINC000022765560 570543178 /nfs/dbraw/zinc/54/31/78/570543178.db2.gz HLFDENHWJKYVQV-GOSISDBHSA-N 1 0 397.500 2.573 50 0 GFAARO COc1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022794211 570548072 /nfs/dbraw/zinc/54/80/72/570548072.db2.gz YEMASFNVWFPTJZ-LJQANCHMSA-N 1 0 389.446 2.692 50 0 GFAARO CC[NH+]1CCN(c2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)CC1 ZINC000005424579 570589407 /nfs/dbraw/zinc/58/94/07/570589407.db2.gz TZUKCYYLUGBJGD-UHFFFAOYSA-N 1 0 390.491 2.982 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1CO ZINC000039500033 570592706 /nfs/dbraw/zinc/59/27/06/570592706.db2.gz UOFPUVRPTJXAIM-LJQANCHMSA-N 1 0 390.549 2.708 50 0 GFAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccn(C)n4)O3)CC2)cc1 ZINC000011973760 570596706 /nfs/dbraw/zinc/59/67/06/570596706.db2.gz QRSPHNCGAUHDNV-IBGZPJMESA-N 1 0 382.508 2.672 50 0 GFAARO CC[NH+](CC)CCC(=O)NC[C@@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000012055321 570601988 /nfs/dbraw/zinc/60/19/88/570601988.db2.gz PNKOPBGSULRKRQ-INIZCTEOSA-N 1 0 388.899 2.949 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1 ZINC000012073196 570604811 /nfs/dbraw/zinc/60/48/11/570604811.db2.gz GYXWUSRIRGPXCY-QHCPKHFHSA-N 1 0 383.536 2.822 50 0 GFAARO COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012318800 570642164 /nfs/dbraw/zinc/64/21/64/570642164.db2.gz QFPZOOJIYGOKMB-NRFANRHFSA-N 1 0 399.535 2.948 50 0 GFAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)cc2)cc1 ZINC000045966612 570649973 /nfs/dbraw/zinc/64/99/73/570649973.db2.gz QAJMEKUCJKJMAR-UHFFFAOYSA-N 1 0 383.467 2.598 50 0 GFAARO O=C(NCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012387292 570651931 /nfs/dbraw/zinc/65/19/31/570651931.db2.gz RZVKHWLZMNUBAW-SFHVURJKSA-N 1 0 387.499 2.555 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cnc(C)cn3)C2)cc1 ZINC000012478069 570674166 /nfs/dbraw/zinc/67/41/66/570674166.db2.gz ZNFAEFHPWYGUBV-IBGZPJMESA-N 1 0 382.508 2.820 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000036397005 570681274 /nfs/dbraw/zinc/68/12/74/570681274.db2.gz RLEJPETWTLKCFF-IYBDPMFKSA-N 1 0 379.932 2.944 50 0 GFAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000012587996 570686011 /nfs/dbraw/zinc/68/60/11/570686011.db2.gz HAQCMVVWWNMKRA-QGZVFWFLSA-N 1 0 376.888 2.811 50 0 GFAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000012594986 570688597 /nfs/dbraw/zinc/68/85/97/570688597.db2.gz PBSOBYIWFMOLLO-OAQYLSRUSA-N 1 0 378.488 2.882 50 0 GFAARO COC[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](C)CC3)c(OC)c2)C1 ZINC000012596311 570689040 /nfs/dbraw/zinc/68/90/40/570689040.db2.gz WBZZUWWCKOGMQW-MRXNPFEDSA-N 1 0 376.497 2.667 50 0 GFAARO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000055369304 570692883 /nfs/dbraw/zinc/69/28/83/570692883.db2.gz QUZQVYHSTGLIEY-FQEVSTJZSA-N 1 0 393.535 2.829 50 0 GFAARO CC(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000025535804 570757673 /nfs/dbraw/zinc/75/76/73/570757673.db2.gz VCUTVFIPBKNOJT-HXUWFJFHSA-N 1 0 390.487 2.736 50 0 GFAARO Cc1cccc(-c2noc(Cn3cnc4sc5c(c4c3=O)CC[NH2+]C5)n2)c1 ZINC000065376575 570762988 /nfs/dbraw/zinc/76/29/88/570762988.db2.gz XLJUXMIWCHGHBC-UHFFFAOYSA-N 1 0 379.445 2.510 50 0 GFAARO O[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)nc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065436268 570769134 /nfs/dbraw/zinc/76/91/34/570769134.db2.gz XPTLPLPEPHIBED-PKOBYXMFSA-N 1 0 390.443 2.618 50 0 GFAARO Cc1ccc2nc3c(n2c1)[C@H](c1ccccc1OCC[NH+](C)C)CC(=O)NC3 ZINC000065531425 570772252 /nfs/dbraw/zinc/77/22/52/570772252.db2.gz VLDPRQLIUUOOSR-KRWDZBQOSA-N 1 0 378.476 2.735 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000007127180 570803190 /nfs/dbraw/zinc/80/31/90/570803190.db2.gz VFEPUDOVJZOZOF-CQSZACIVSA-N 1 0 386.209 2.624 50 0 GFAARO O=C(CCNC(=O)c1ccco1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781171 570808776 /nfs/dbraw/zinc/80/87/76/570808776.db2.gz GGLRZYOFDWZIPQ-UHFFFAOYSA-N 1 0 389.883 2.834 50 0 GFAARO COc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1OCc1csc(C)n1 ZINC000299738825 570823776 /nfs/dbraw/zinc/82/37/76/570823776.db2.gz GZYGSLLWYRBPFA-INIZCTEOSA-N 1 0 375.494 2.993 50 0 GFAARO C[C@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007374298 570830869 /nfs/dbraw/zinc/83/08/69/570830869.db2.gz OXGZVPGHKPRDMI-GFCCVEGCSA-N 1 0 387.402 2.903 50 0 GFAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000007378089 570831931 /nfs/dbraw/zinc/83/19/31/570831931.db2.gz NOQPTVVETAYJGD-MRXNPFEDSA-N 1 0 379.526 2.674 50 0 GFAARO COCc1c2ccccc2sc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000170598028 570856119 /nfs/dbraw/zinc/85/61/19/570856119.db2.gz WLWKWHALDVBTDW-HNNXBMFYSA-N 1 0 375.538 2.804 50 0 GFAARO CC(C)(C)c1cc(CS(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000170616473 570874305 /nfs/dbraw/zinc/87/43/05/570874305.db2.gz DIUYVVFIWLIWNR-UHFFFAOYSA-N 1 0 391.537 2.840 50 0 GFAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)C1 ZINC000534578887 570901971 /nfs/dbraw/zinc/90/19/71/570901971.db2.gz IIUWBIQTFBVUIJ-FQEVSTJZSA-N 1 0 375.476 2.770 50 0 GFAARO Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127419 570912314 /nfs/dbraw/zinc/91/23/14/570912314.db2.gz VSDKQGSMTNHJKK-UHFFFAOYSA-N 1 0 379.504 2.640 50 0 GFAARO Cc1cccc(OCC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000105572489 570929724 /nfs/dbraw/zinc/92/97/24/570929724.db2.gz QKQZKGLLWRYZEV-QFIPXVFZSA-N 1 0 381.520 2.869 50 0 GFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000252458485 570959520 /nfs/dbraw/zinc/95/95/20/570959520.db2.gz KXLGBVOKFDRBQU-JKSUJKDBSA-N 1 0 380.483 2.822 50 0 GFAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000106629653 570966210 /nfs/dbraw/zinc/96/62/10/570966210.db2.gz PEUQEIXSYPHTSX-KSZLIROESA-N 1 0 397.523 2.780 50 0 GFAARO CC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000252507351 570978399 /nfs/dbraw/zinc/97/83/99/570978399.db2.gz WJCKVABUVPSCSS-UHFFFAOYSA-N 1 0 396.578 2.775 50 0 GFAARO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000252508262 570978954 /nfs/dbraw/zinc/97/89/54/570978954.db2.gz XIMZYRJAMIFUED-MRXNPFEDSA-N 1 0 382.512 2.715 50 0 GFAARO CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023224698 570988035 /nfs/dbraw/zinc/98/80/35/570988035.db2.gz FTHOVZHSRCDRQV-JOCHJYFZSA-N 1 0 384.520 2.828 50 0 GFAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000108396810 570988301 /nfs/dbraw/zinc/98/83/01/570988301.db2.gz AOWYMTBFBZWPOG-OXJNMPFZSA-N 1 0 392.455 2.809 50 0 GFAARO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000108502543 570989212 /nfs/dbraw/zinc/98/92/12/570989212.db2.gz MPJJUHGQDOUXGF-BZUAXINKSA-N 1 0 393.532 2.680 50 0 GFAARO CN(C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000066986235 571005029 /nfs/dbraw/zinc/00/50/29/571005029.db2.gz VOQBXKVOLFJSON-FQEVSTJZSA-N 1 0 379.508 2.662 50 0 GFAARO C[NH+](C)CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079597 571022145 /nfs/dbraw/zinc/02/21/45/571022145.db2.gz GPMKXJNIOFJKFG-UHFFFAOYSA-N 1 0 398.482 2.949 50 0 GFAARO C[C@H]1CN(CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000084706261 571032297 /nfs/dbraw/zinc/03/22/97/571032297.db2.gz KNXFKNMYFLEONC-STQMWFEESA-N 1 0 385.302 2.767 50 0 GFAARO Cc1cc(=O)n(CC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c2ccccc12 ZINC000426490036 231228519 /nfs/dbraw/zinc/22/85/19/231228519.db2.gz HUTUKMLULVCAIC-HXUWFJFHSA-N 1 0 389.499 2.825 50 0 GFAARO O=c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)[nH]c(=O)[nH]1 ZINC000426526840 231235931 /nfs/dbraw/zinc/23/59/31/231235931.db2.gz HDZJZBYPQQSPMJ-OAQYLSRUSA-N 1 0 388.512 2.673 50 0 GFAARO NC(=O)C1(NC(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000426604251 231246679 /nfs/dbraw/zinc/24/66/79/231246679.db2.gz HFIMHIVEYAXRFF-IBGZPJMESA-N 1 0 386.540 2.919 50 0 GFAARO CCn1nc(C)c(CNC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000426717058 231255918 /nfs/dbraw/zinc/25/59/18/231255918.db2.gz YBJKENANTOOLQT-UHFFFAOYSA-N 1 0 381.524 2.514 50 0 GFAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1csc(-c2cccs2)n1 ZINC000426740402 231256794 /nfs/dbraw/zinc/25/67/94/231256794.db2.gz HQODJIYPWXVNRV-CYBMUJFWSA-N 1 0 387.534 2.852 50 0 GFAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018116905 210214523 /nfs/dbraw/zinc/21/45/23/210214523.db2.gz RZOOTQVPEHNXEY-GOSISDBHSA-N 1 0 398.459 2.567 50 0 GFAARO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000018093878 210213618 /nfs/dbraw/zinc/21/36/18/210213618.db2.gz ZKDRQHHNBNOWSM-GOSISDBHSA-N 1 0 397.862 2.889 50 0 GFAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000426726739 529772803 /nfs/dbraw/zinc/77/28/03/529772803.db2.gz JANADICJICWSKF-QGZVFWFLSA-N 1 0 380.483 2.666 50 0 GFAARO C[N@@H+]1CCOC[C@@H](CNC(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1 ZINC000426376381 529780091 /nfs/dbraw/zinc/78/00/91/529780091.db2.gz NWMOBBSJTKEKNQ-INIZCTEOSA-N 1 0 376.460 2.605 50 0 GFAARO O=C(NCc1cccnc1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727058 210164151 /nfs/dbraw/zinc/16/41/51/210164151.db2.gz DQCYAQFZOZYKQZ-UHFFFAOYSA-N 1 0 379.439 2.803 50 0 GFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCN3CCOCC3)C2)cc1 ZINC000015080716 210152097 /nfs/dbraw/zinc/15/20/97/210152097.db2.gz DPRQUSMETAAYPW-JOCHJYFZSA-N 1 0 387.568 2.688 50 0 GFAARO CCOC(=O)CN(C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015069027 210148954 /nfs/dbraw/zinc/14/89/54/210148954.db2.gz SRLBBHOHUQMVAQ-HXUWFJFHSA-N 1 0 392.540 2.686 50 0 GFAARO C[NH+]1CCC(CNC(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000426739061 530049239 /nfs/dbraw/zinc/04/92/39/530049239.db2.gz NOTMUAJBYFVLRN-FQEVSTJZSA-N 1 0 375.513 2.598 50 0 GFAARO C[NH+]1CCN(C(C)(C)CNC(=O)c2cccc(-c3ccc(O)c(F)c3)c2)CC1 ZINC000426548839 530070200 /nfs/dbraw/zinc/07/02/00/530070200.db2.gz QUBAXILFFCEQLP-UHFFFAOYSA-N 1 0 385.483 2.954 50 0 GFAARO C[C@H](NC(=O)COc1ccc(-c2ncccn2)cc1C[NH+](C)C)c1nccs1 ZINC000014982558 210141604 /nfs/dbraw/zinc/14/16/04/210141604.db2.gz CHXMPFXEMGHQMW-AWEZNQCLSA-N 1 0 397.504 2.918 50 0 GFAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000014753813 210127445 /nfs/dbraw/zinc/12/74/45/210127445.db2.gz KCVHTCAEAGDBFH-SFHVURJKSA-N 1 0 386.540 2.713 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000014161304 210106398 /nfs/dbraw/zinc/10/63/98/210106398.db2.gz SLOKZUVKLWYSAF-APWZRJJASA-N 1 0 399.491 2.750 50 0 GFAARO CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Br)c1OC ZINC000013727748 210084053 /nfs/dbraw/zinc/08/40/53/210084053.db2.gz FTZSQLPHBQHZCC-UHFFFAOYSA-N 1 0 385.302 2.959 50 0 GFAARO c1cn(CCC[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)cn1 ZINC000013717699 210083164 /nfs/dbraw/zinc/08/31/64/210083164.db2.gz COAFMSHFOUFWRK-UHFFFAOYSA-N 1 0 375.436 2.831 50 0 GFAARO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000013013621 210047991 /nfs/dbraw/zinc/04/79/91/210047991.db2.gz PHFNHZXCOYLCDQ-UHFFFAOYSA-N 1 0 389.521 2.918 50 0 GFAARO CC(=O)N1CCc2cc(NC(=O)C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)ccc21 ZINC000013020112 210047745 /nfs/dbraw/zinc/04/77/45/210047745.db2.gz VZSPGBIXTKMANQ-CQSZACIVSA-N 1 0 395.459 2.656 50 0 GFAARO COC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012198896 209919141 /nfs/dbraw/zinc/91/91/41/209919141.db2.gz IHXKMUFIQZHITK-LJQANCHMSA-N 1 0 380.529 2.602 50 0 GFAARO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCSc1ccc(Br)cc1 ZINC000006651093 209664105 /nfs/dbraw/zinc/66/41/05/209664105.db2.gz QKVKSIVOVQEVTO-ZDUSSCGKSA-N 1 0 387.343 2.768 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2OC)CC1 ZINC000004712229 209515624 /nfs/dbraw/zinc/51/56/24/209515624.db2.gz OKIVELOVSRIPHG-UHFFFAOYSA-N 1 0 397.475 2.876 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000002465460 209365381 /nfs/dbraw/zinc/36/53/81/209365381.db2.gz LKTQVRAYJZSEOQ-UHFFFAOYSA-N 1 0 382.508 2.882 50 0 GFAARO CC1(C)NC(=O)N(C[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1=O ZINC000001311786 209319853 /nfs/dbraw/zinc/31/98/53/209319853.db2.gz SHARKFDQAWXPEM-LJQANCHMSA-N 1 0 381.476 2.585 50 0 GFAARO Cc1ccc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000009875238 209319113 /nfs/dbraw/zinc/31/91/13/209319113.db2.gz OWILCHVONOSBDJ-UHFFFAOYSA-N 1 0 378.904 2.986 50 0 GFAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000001249701 209317628 /nfs/dbraw/zinc/31/76/28/209317628.db2.gz HIVCGWZQCHWOGQ-INIZCTEOSA-N 1 0 376.497 2.937 50 0 GFAARO CCOc1ccccc1NC(=O)C(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000253396536 209217390 /nfs/dbraw/zinc/21/73/90/209217390.db2.gz DXJWBYBYWBJJCM-UHFFFAOYSA-N 1 0 396.491 2.760 50 0 GFAARO CC(C)c1nccn1Cc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)[nH]n1 ZINC000023337699 209175434 /nfs/dbraw/zinc/17/54/34/209175434.db2.gz OFUJUJNGMJQZLS-UHFFFAOYSA-N 1 0 384.528 2.868 50 0 GFAARO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582637 211766657 /nfs/dbraw/zinc/76/66/57/211766657.db2.gz RRODNASSWFFFAW-NRFANRHFSA-N 1 0 387.549 2.570 50 0 GFAARO Cn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)c(=O)c2ccccc21 ZINC000216208710 211742941 /nfs/dbraw/zinc/74/29/41/211742941.db2.gz RLWAIOQGGHXMQS-MRXNPFEDSA-N 1 0 379.460 2.774 50 0 GFAARO CN(C(=O)Nc1cccc(-c2nnn(C)n2)c1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097675301 211370862 /nfs/dbraw/zinc/37/08/62/211370862.db2.gz FZJVUJAEFHJCCU-GOSISDBHSA-N 1 0 379.468 2.644 50 0 GFAARO C[NH+](C)C[C@H](O)Cn1cc(NC(=O)Nc2ccccc2SC(F)F)cn1 ZINC000097577460 211367631 /nfs/dbraw/zinc/36/76/31/211367631.db2.gz IISDNSKXEAKBKL-LBPRGKRZSA-N 1 0 385.440 2.764 50 0 GFAARO COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000096891908 211348929 /nfs/dbraw/zinc/34/89/29/211348929.db2.gz BARBCXDLAPTJOV-VWILAXROSA-N 1 0 395.503 2.591 50 0 GFAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096151773 211311297 /nfs/dbraw/zinc/31/12/97/211311297.db2.gz BASXVMRTLIYJNN-UHFFFAOYSA-N 1 0 376.508 2.890 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)ccc1-n1cnnn1)c1ccco1 ZINC000096152758 211311353 /nfs/dbraw/zinc/31/13/53/211311353.db2.gz MRRXSPZKJDSSQJ-KRWDZBQOSA-N 1 0 383.456 2.768 50 0 GFAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2C)C[N@@H+]1C1CCCC1 ZINC000096142034 211308509 /nfs/dbraw/zinc/30/85/09/211308509.db2.gz MQQXZAVPDXXJFL-YJBOKZPZSA-N 1 0 377.916 2.900 50 0 GFAARO [NH3+][C@H]1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 ZINC000095971821 211291425 /nfs/dbraw/zinc/29/14/25/211291425.db2.gz NFPGFTUQSPLGNJ-NSHDSACASA-N 1 0 380.217 2.949 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(=O)cc(C)o2)C1 ZINC000095519135 211263844 /nfs/dbraw/zinc/26/38/44/211263844.db2.gz WPBPIOZWABFALF-SFHVURJKSA-N 1 0 398.503 2.984 50 0 GFAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)ccc1F ZINC000095528949 211274383 /nfs/dbraw/zinc/27/43/83/211274383.db2.gz UKOVLRSJDWNRSN-GOEBONIOSA-N 1 0 375.469 2.914 50 0 GFAARO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)[nH]1 ZINC000095524453 211269791 /nfs/dbraw/zinc/26/97/91/211269791.db2.gz RITAUXPLSDPVTR-VQTJNVASSA-N 1 0 381.524 2.601 50 0 GFAARO O=C(C[NH+]1CCCCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 ZINC000095505345 211257911 /nfs/dbraw/zinc/25/79/11/211257911.db2.gz WMXNYHAYEYUGSL-UHFFFAOYSA-N 1 0 387.553 2.970 50 0 GFAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccc[nH]3)CC2)CC1 ZINC000095499918 211252946 /nfs/dbraw/zinc/25/29/46/211252946.db2.gz TYYYQKKSTXRFFW-UHFFFAOYSA-N 1 0 395.551 2.858 50 0 GFAARO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1NCc1cccnc1 ZINC000095448250 211240563 /nfs/dbraw/zinc/24/05/63/211240563.db2.gz ZDLHWULRGDDJCX-IBGZPJMESA-N 1 0 382.508 2.660 50 0 GFAARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C[C@H]1C ZINC000095406053 211238844 /nfs/dbraw/zinc/23/88/44/211238844.db2.gz TWFYDXYNIKKSTJ-CHWSQXEVSA-N 1 0 394.422 2.755 50 0 GFAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000095391896 211236504 /nfs/dbraw/zinc/23/65/04/211236504.db2.gz SWWHQRISIVXAKT-ZWKOTPCHSA-N 1 0 385.512 2.687 50 0 GFAARO CC(C)[C@@H](NC(=O)CN1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000095441638 211241216 /nfs/dbraw/zinc/24/12/16/211241216.db2.gz SEVCPFYAKYBLMP-HYFFOGBASA-N 1 0 389.540 2.686 50 0 GFAARO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC000095450974 211241378 /nfs/dbraw/zinc/24/13/78/211241378.db2.gz JUHSHEZYAJXHCP-ZDUSSCGKSA-N 1 0 378.517 2.980 50 0 GFAARO Cc1cc(C)nc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095361857 211224261 /nfs/dbraw/zinc/22/42/61/211224261.db2.gz WAJLBSDZAGRSHN-IOMROCGXSA-N 1 0 378.476 2.889 50 0 GFAARO CCN1CC[C@]2(CN(CCCOc3ccc(F)cc3)CC[N@@H+]2C)CCC1=O ZINC000095361368 211223095 /nfs/dbraw/zinc/22/30/95/211223095.db2.gz BLVAJMIBSLCRCT-NRFANRHFSA-N 1 0 377.504 2.613 50 0 GFAARO O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095383446 211235646 /nfs/dbraw/zinc/23/56/46/211235646.db2.gz NHPYADRZRLIQAL-MAUKXSAKSA-N 1 0 379.439 2.834 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccccc3OC)nc1)C2 ZINC000095383580 211233733 /nfs/dbraw/zinc/23/37/33/211233733.db2.gz TZGGLTVLFGERTH-PKOBYXMFSA-N 1 0 382.508 2.695 50 0 GFAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095378844 211231748 /nfs/dbraw/zinc/23/17/48/211231748.db2.gz JHLSWCPYXHMZPN-INIZCTEOSA-N 1 0 381.436 2.595 50 0 GFAARO COc1cc(OC)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1 ZINC000095374933 211229952 /nfs/dbraw/zinc/22/99/52/211229952.db2.gz JUANCUCEGROSJD-QFBILLFUSA-N 1 0 381.476 2.835 50 0 GFAARO COc1cc2c(cc1CN1C[C@H]3CC[C@@H]1C[N@H+](Cc1cccnc1)C3)OCO2 ZINC000095374992 211229390 /nfs/dbraw/zinc/22/93/90/211229390.db2.gz KBBVNSMCJVBQIW-PKOBYXMFSA-N 1 0 381.476 2.915 50 0 GFAARO Cc1ncc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c(C)n1 ZINC000095374466 211229466 /nfs/dbraw/zinc/22/94/66/211229466.db2.gz HNGILMUOCKWMDM-PWRODBHTSA-N 1 0 380.467 2.935 50 0 GFAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000095371830 211227194 /nfs/dbraw/zinc/22/71/94/211227194.db2.gz XJHQOKYCHUGIHV-GDBMZVCRSA-N 1 0 383.496 2.567 50 0 GFAARO CC[NH+](CC)Cc1cc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c(C)o1 ZINC000091872654 211211061 /nfs/dbraw/zinc/21/10/61/211211061.db2.gz QRTBCLXGJXYZRW-UHFFFAOYSA-N 1 0 375.513 2.904 50 0 GFAARO Cc1cccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccncc3)C4)cn21 ZINC000092098593 211216613 /nfs/dbraw/zinc/21/66/13/211216613.db2.gz XYSHIBBNZDVKKZ-RBUKOAKNSA-N 1 0 375.476 2.774 50 0 GFAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000091657305 211201852 /nfs/dbraw/zinc/20/18/52/211201852.db2.gz WMTWXDWDHFFHSX-NEPJUHHUSA-N 1 0 378.822 2.991 50 0 GFAARO COc1ccc([C@H]2CN(C(=O)c3cccc(Cn4cccn4)c3)C[C@@H]2[NH3+])cc1 ZINC000091574892 211197002 /nfs/dbraw/zinc/19/70/02/211197002.db2.gz YLUFABFIUGKTDW-RTWAWAEBSA-N 1 0 376.460 2.507 50 0 GFAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000091390745 211189239 /nfs/dbraw/zinc/18/92/39/211189239.db2.gz OYALZMLQJYFBBF-CVEARBPZSA-N 1 0 379.932 2.572 50 0 GFAARO COc1cccc(-c2cccc(C(=O)N3C[C@H](CO)C[C@H](C[NH+](C)C)C3)c2)c1 ZINC000091452580 211192792 /nfs/dbraw/zinc/19/27/92/211192792.db2.gz FWLYGHLHRIRTPP-QZTJIDSGSA-N 1 0 382.504 2.994 50 0 GFAARO c1cn(-c2ccc(OC[C@H]3CCCO3)cc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072469182 211121850 /nfs/dbraw/zinc/12/18/50/211121850.db2.gz FAOHYMXKWATDQP-LJQANCHMSA-N 1 0 379.464 2.787 50 0 GFAARO CN1CC2(CC[NH+](Cc3c(-c4ccccc4)nc4ncccn34)CC2)OC1=O ZINC000072418841 211115184 /nfs/dbraw/zinc/11/51/84/211115184.db2.gz BYVQWABXRCPEPC-UHFFFAOYSA-N 1 0 377.448 2.813 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2ccc3c(c2)OCO3)c2ccccc2C12CC[NH2+]CC2 ZINC000072408523 211114394 /nfs/dbraw/zinc/11/43/94/211114394.db2.gz MJSCKZPYPDBZFI-UXHICEINSA-N 1 0 380.444 2.536 50 0 GFAARO CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000072144601 211075822 /nfs/dbraw/zinc/07/58/22/211075822.db2.gz JHGVAKRRYRSPGX-UHFFFAOYSA-N 1 0 377.496 2.841 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CCC(=O)N(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072144722 211075724 /nfs/dbraw/zinc/07/57/24/211075724.db2.gz LAHVPDOJEWDUML-LJQANCHMSA-N 1 0 377.504 2.753 50 0 GFAARO COc1ccccc1-c1cn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 ZINC000072166946 211079629 /nfs/dbraw/zinc/07/96/29/211079629.db2.gz PXBDVXNHUFDGPU-RTWAWAEBSA-N 1 0 376.460 2.539 50 0 GFAARO Cc1nnsc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072127294 211071744 /nfs/dbraw/zinc/07/17/44/211071744.db2.gz HNBQBZNMGDNQBA-CWFSZBLJSA-N 1 0 384.505 2.637 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(C)c3F)CC2)C1 ZINC000071776503 211062812 /nfs/dbraw/zinc/06/28/12/211062812.db2.gz YTGHKLBAUNWEMI-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO CCN(Cc1ccncc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071749147 211054982 /nfs/dbraw/zinc/05/49/82/211054982.db2.gz QELZHJGILPCAFA-HXUWFJFHSA-N 1 0 398.551 2.543 50 0 GFAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH+]1CCC(CO)CC1 ZINC000071751264 211056832 /nfs/dbraw/zinc/05/68/32/211056832.db2.gz OJKQIUSWAGURQW-UHFFFAOYSA-N 1 0 384.524 2.863 50 0 GFAARO Cc1cc(C)n2nc(NCCC[NH+](C)C)c(S(=O)(=O)c3ccccc3)c2n1 ZINC000071330592 211045510 /nfs/dbraw/zinc/04/55/10/211045510.db2.gz KRMWCCPAGOXKET-UHFFFAOYSA-N 1 0 387.509 2.543 50 0 GFAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000090608985 211036830 /nfs/dbraw/zinc/03/68/30/211036830.db2.gz AOSBCRAPJXCCOV-SNVBAGLBSA-N 1 0 399.401 2.568 50 0 GFAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090700159 211038629 /nfs/dbraw/zinc/03/86/29/211038629.db2.gz UBHRVINJAFSKSK-MRXNPFEDSA-N 1 0 376.501 2.736 50 0 GFAARO C[C@H](C[NH+]1CCCC1)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067934476 211029853 /nfs/dbraw/zinc/02/98/53/211029853.db2.gz ODFVABDVZUIFDL-CQSZACIVSA-N 1 0 383.448 2.687 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000067920221 211028841 /nfs/dbraw/zinc/02/88/41/211028841.db2.gz NNPNIDVNQSCXQB-LJQANCHMSA-N 1 0 398.551 2.607 50 0 GFAARO CCN(C(=O)c1cnn2cc(C[NH+](CC)CC)cnc12)[C@@H]1CCOC(C)(C)C1 ZINC000067742868 211018721 /nfs/dbraw/zinc/01/87/21/211018721.db2.gz WSYZKYYRROVXPZ-QGZVFWFLSA-N 1 0 387.528 2.991 50 0 GFAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccc(F)c1 ZINC000067692215 211016366 /nfs/dbraw/zinc/01/63/66/211016366.db2.gz GOZZCAFGLCXHJP-QFIPXVFZSA-N 1 0 399.441 2.998 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccsc3)C2=O)c1 ZINC000067472665 211010422 /nfs/dbraw/zinc/01/04/22/211010422.db2.gz OWWPGILGJJFSBL-IBGZPJMESA-N 1 0 378.469 2.539 50 0 GFAARO O=C(Nc1ccsc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cnccn1 ZINC000067335746 211008294 /nfs/dbraw/zinc/00/82/94/211008294.db2.gz VFMOJKZYIPKXCJ-UHFFFAOYSA-N 1 0 399.520 2.881 50 0 GFAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc(C)[nH+]1 ZINC000067613091 211013143 /nfs/dbraw/zinc/01/31/43/211013143.db2.gz KCPKSJXGTABAHS-UHFFFAOYSA-N 1 0 376.411 2.849 50 0 GFAARO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000023468456 210447766 /nfs/dbraw/zinc/44/77/66/210447766.db2.gz HMPICSNTPMXKGR-UHFFFAOYSA-N 1 0 397.288 2.839 50 0 GFAARO O=C(CCN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000021885593 210398911 /nfs/dbraw/zinc/39/89/11/210398911.db2.gz XEPFLIQKQSZMKL-UHFFFAOYSA-N 1 0 399.922 2.847 50 0 GFAARO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](CC(C)C)CC2 ZINC000020542903 210345526 /nfs/dbraw/zinc/34/55/26/210345526.db2.gz XKTVQZNAVJIKQO-SFHVURJKSA-N 1 0 384.528 2.704 50 0 GFAARO Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1C ZINC000020614323 210352014 /nfs/dbraw/zinc/35/20/14/210352014.db2.gz XUAINVFDTHQNOS-HXUWFJFHSA-N 1 0 395.503 2.751 50 0 GFAARO CC(C)(O)c1cn(CC2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 ZINC000020601441 210349296 /nfs/dbraw/zinc/34/92/96/210349296.db2.gz VCHNMDYYZNRVGL-IBGZPJMESA-N 1 0 387.503 2.636 50 0 GFAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2O)CC1 ZINC000020541694 210346202 /nfs/dbraw/zinc/34/62/02/210346202.db2.gz PXEMTEUHJBCMJE-WOJBJXKFSA-N 1 0 389.927 2.783 50 0 GFAARO CSCCC[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323292 210327349 /nfs/dbraw/zinc/32/73/49/210327349.db2.gz NFGRMVWNQIAAHY-LJQANCHMSA-N 1 0 391.581 2.750 50 0 GFAARO Cc1ccc2[nH]cc(C[NH+]3CCC(n4cc(CN5CCOCC5)nn4)CC3)c2c1 ZINC000019745306 210291625 /nfs/dbraw/zinc/29/16/25/210291625.db2.gz IRXUQUSSQGYTNG-UHFFFAOYSA-N 1 0 394.523 2.737 50 0 GFAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000011820674 221129504 /nfs/dbraw/zinc/12/95/04/221129504.db2.gz IJXNXNFNNGRLQF-LJQANCHMSA-N 1 0 382.508 2.667 50 0 GFAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCO4)c3)CC2)CC1 ZINC000011933841 221137934 /nfs/dbraw/zinc/13/79/34/221137934.db2.gz PIVQERVWULWBIN-UHFFFAOYSA-N 1 0 387.524 2.792 50 0 GFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccc3ccccc3c2)[nH+]1 ZINC000065363170 136163435 /nfs/dbraw/zinc/16/34/35/136163435.db2.gz BHSIKPGPKUXRDZ-UHFFFAOYSA-N 1 0 391.475 2.617 50 0 GFAARO C[NH2+]C1CCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000071764384 136166309 /nfs/dbraw/zinc/16/63/09/136166309.db2.gz XIOOFFAJFDVPEK-GOSISDBHSA-N 1 0 386.540 2.737 50 0 GFAARO CCCc1cnc(C)nc1N1CCC([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000095521516 136181149 /nfs/dbraw/zinc/18/11/49/136181149.db2.gz QJBJULZVCBZPJW-UHFFFAOYSA-N 1 0 380.540 2.924 50 0 GFAARO CCN1C[C@@H]([NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)CC1=O ZINC000096140467 136184299 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CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H]1C ZINC000170599725 551635386 /nfs/dbraw/zinc/63/53/86/551635386.db2.gz ABAQACVEQNENAL-CHWSQXEVSA-N 1 0 387.933 2.649 50 0 GFAARO CCOc1ccccc1S(=O)(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225572959 553059807 /nfs/dbraw/zinc/05/98/07/553059807.db2.gz PRBSAZKQYLANSB-INIZCTEOSA-N 1 0 384.567 2.581 50 0 GFAARO O=S(=O)(Cc1ccccc1F)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252497790 553149498 /nfs/dbraw/zinc/14/94/98/553149498.db2.gz QPUXHFIGTFPWTC-UHFFFAOYSA-N 1 0 386.558 2.853 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2Br)no1 ZINC000299739458 563390946 /nfs/dbraw/zinc/39/09/46/563390946.db2.gz OPWSRWSATKYCKX-LBPRGKRZSA-N 1 0 394.269 2.745 50 0 GFAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000048040357 570217567 /nfs/dbraw/zinc/21/75/67/570217567.db2.gz DNZKRGJKLHUNRW-UHFFFAOYSA-N 1 0 388.411 2.924 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)c2ccoc2)[NH+]2CCCCC2)cc1 ZINC000048185841 570220203 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384.480 2.788 50 0 GFAARO CCCCN1C(=O)CC[C@H](C(=O)N2CCC[NH2+]CC2)[C@H]1c1ccccc1OC ZINC000236774901 570260820 /nfs/dbraw/zinc/26/08/20/570260820.db2.gz DLXWGVRQVUXGBE-GHTZIAJQSA-N 1 0 387.524 2.597 50 0 GFAARO CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000012296625 570293852 /nfs/dbraw/zinc/29/38/52/570293852.db2.gz CRTKFYNHSTYBSF-KEZQHZCBSA-N 1 0 383.536 2.977 50 0 GFAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1ccc(-n2cnnc2)cc1 ZINC000216165570 570296737 /nfs/dbraw/zinc/29/67/37/570296737.db2.gz YCGVRXWRZYRRAV-UHFFFAOYSA-N 1 0 375.476 2.877 50 0 GFAARO CCN1CCC[N@H+](C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000106733769 570306861 /nfs/dbraw/zinc/30/68/61/570306861.db2.gz JWEWMFXRAPHCLR-QHCPKHFHSA-N 1 0 387.568 2.691 50 0 GFAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022794381 570328397 /nfs/dbraw/zinc/32/83/97/570328397.db2.gz ZRLNCRBQGNJIRM-UXHICEINSA-N 1 0 386.492 2.530 50 0 GFAARO CCN1C(=O)C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022875866 570332352 /nfs/dbraw/zinc/33/23/52/570332352.db2.gz XYFQLQZHLUZOJJ-FQEVSTJZSA-N 1 0 377.488 2.541 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000023197903 570349534 /nfs/dbraw/zinc/34/95/34/570349534.db2.gz WDWHUUYBJMULOK-PZJWPPBQSA-N 1 0 380.488 2.837 50 0 GFAARO Cc1cc(N2CCC(n3cc(CN4CC[C@H](O)C4)nn3)CC2)c2ccccc2[nH+]1 ZINC000023542770 570365003 /nfs/dbraw/zinc/36/50/03/570365003.db2.gz UHAMHZGCXMPSMK-IBGZPJMESA-N 1 0 392.507 2.543 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000024193269 570380373 /nfs/dbraw/zinc/38/03/73/570380373.db2.gz OGXSBEOUBZYRHA-UHFFFAOYSA-N 1 0 378.398 2.782 50 0 GFAARO CCc1nc(-c2ccc(C)c(S(=O)(=O)NCC[NH+]3CCC(C)CC3)c2)no1 ZINC000035511167 570388243 /nfs/dbraw/zinc/38/82/43/570388243.db2.gz OJVDWALCZSFPSB-UHFFFAOYSA-N 1 0 392.525 2.618 50 0 GFAARO O=C(COc1ccccc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700274 570394682 /nfs/dbraw/zinc/39/46/82/570394682.db2.gz WNIKHMMTZLLSKH-UHFFFAOYSA-N 1 0 393.531 2.874 50 0 GFAARO Cc1ccc(N2C[C@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000024986055 570401612 /nfs/dbraw/zinc/40/16/12/570401612.db2.gz MKDURPPZCDICKN-HXUWFJFHSA-N 1 0 379.504 2.986 50 0 GFAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000004784528 570405612 /nfs/dbraw/zinc/40/56/12/570405612.db2.gz KTHSKMOQYJGRSR-UHFFFAOYSA-N 1 0 380.535 2.947 50 0 GFAARO COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000004990974 570422027 /nfs/dbraw/zinc/42/20/27/570422027.db2.gz IILPLYAILHJBBS-UHFFFAOYSA-N 1 0 393.403 2.736 50 0 GFAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1ccccc1 ZINC000004998048 570422681 /nfs/dbraw/zinc/42/26/81/570422681.db2.gz VIQIHFAWPDAXJP-UHFFFAOYSA-N 1 0 385.493 2.680 50 0 GFAARO COc1ccc([C@H](CNC(=O)CN2CCSC2=O)[NH+]2CCCCC2)cc1 ZINC000027668205 570439645 /nfs/dbraw/zinc/43/96/45/570439645.db2.gz BVSSNCWXXGGLDL-KRWDZBQOSA-N 1 0 377.510 2.507 50 0 GFAARO CN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000005464868 570440822 /nfs/dbraw/zinc/44/08/22/570440822.db2.gz HMYSJHGTAMQUGE-XOBRGWDASA-N 1 0 384.586 2.953 50 0 GFAARO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1 ZINC000006510071 570462406 /nfs/dbraw/zinc/46/24/06/570462406.db2.gz SKUWXYRCICEMRF-UHFFFAOYSA-N 1 0 379.526 2.674 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000064746291 570530912 /nfs/dbraw/zinc/53/09/12/570530912.db2.gz NDOIDKOOMGKRFW-UHFFFAOYSA-N 1 0 383.496 2.943 50 0 GFAARO COc1ccc(C(=O)N2CCC[N@H+](CCc3nc4ccccc4n3C)CC2)cc1 ZINC000225433197 570573707 /nfs/dbraw/zinc/57/37/07/570573707.db2.gz HFZCQTYYTDAQMQ-UHFFFAOYSA-N 1 0 392.503 2.973 50 0 GFAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(C(=O)OC)cc3)oc2C)CC1=O ZINC000011662494 570577475 /nfs/dbraw/zinc/57/74/75/570577475.db2.gz SLBLQSJIEAFSTI-HNNXBMFYSA-N 1 0 385.464 2.737 50 0 GFAARO COc1ccccc1OCc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)no1 ZINC000011772597 570581981 /nfs/dbraw/zinc/58/19/81/570581981.db2.gz JVQDKRABOZECMF-UHFFFAOYSA-N 1 0 385.464 2.963 50 0 GFAARO COC(=O)CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011818669 570585617 /nfs/dbraw/zinc/58/56/17/570585617.db2.gz MWDLAMKAEZGBGM-UHFFFAOYSA-N 1 0 396.487 2.675 50 0 GFAARO Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)C[NH+]2CCCCC2)C3)n1 ZINC000011979818 570596751 /nfs/dbraw/zinc/59/67/51/570596751.db2.gz BFSYAJTYNGLCPO-INIZCTEOSA-N 1 0 398.482 2.805 50 0 GFAARO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1 ZINC000048435871 570658314 /nfs/dbraw/zinc/65/83/14/570658314.db2.gz BOGHEQKQBKNJNW-LJQANCHMSA-N 1 0 375.476 2.635 50 0 GFAARO CN(C)c1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 ZINC000048623066 570660083 /nfs/dbraw/zinc/66/00/83/570660083.db2.gz IVACHXWDVWAIFL-SFHVURJKSA-N 1 0 379.508 2.526 50 0 GFAARO CCCn1cc(C[NH+]2CCC(CCC(=O)N3CCN(CC)CC3)CC2)c(C)n1 ZINC000012432530 570660623 /nfs/dbraw/zinc/66/06/23/570660623.db2.gz JNBWPXUQERQITA-UHFFFAOYSA-N 1 0 389.588 2.758 50 0 GFAARO Cn1cccc1-c1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000012445837 570666040 /nfs/dbraw/zinc/66/60/40/570666040.db2.gz PFPWVCBYCUAACJ-GOSISDBHSA-N 1 0 377.492 2.852 50 0 GFAARO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 ZINC000033040123 570679141 /nfs/dbraw/zinc/67/91/41/570679141.db2.gz RCOQHIZVXGVCFI-KDOFPFPSSA-N 1 0 375.494 2.710 50 0 GFAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)CCCCC1 ZINC000012582962 570684448 /nfs/dbraw/zinc/68/44/48/570684448.db2.gz NWHGLFWCKRVKFW-HXUWFJFHSA-N 1 0 385.552 2.848 50 0 GFAARO O[C@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000012588000 570686063 /nfs/dbraw/zinc/68/60/63/570686063.db2.gz HAQCMVVWWNMKRA-KRWDZBQOSA-N 1 0 376.888 2.811 50 0 GFAARO Cc1cc(N2CCN(c3nncc(-c4ccc5c(c4)OCO5)n3)CC2)cc(C)[nH+]1 ZINC000012589546 570686672 /nfs/dbraw/zinc/68/66/72/570686672.db2.gz MKWJXGFKSBEFQV-UHFFFAOYSA-N 1 0 390.447 2.606 50 0 GFAARO CCc1oc(C(=O)NCc2nc3ccccc3c(=O)[nH]2)cc1C[NH+](CC)CC ZINC000055270219 570689854 /nfs/dbraw/zinc/68/98/54/570689854.db2.gz CEVLZUDPRXZIJO-UHFFFAOYSA-N 1 0 382.464 2.850 50 0 GFAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 ZINC000055358251 570692257 /nfs/dbraw/zinc/69/22/57/570692257.db2.gz IFBKHCZUJIARQS-UHFFFAOYSA-N 1 0 388.512 2.942 50 0 GFAARO CCCn1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c(C)n1 ZINC000012717823 570705315 /nfs/dbraw/zinc/70/53/15/570705315.db2.gz BJBORDDBAKKFGW-HXUWFJFHSA-N 1 0 376.545 2.889 50 0 GFAARO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012745636 570708051 /nfs/dbraw/zinc/70/80/51/570708051.db2.gz SXCACJOFOVOVNS-NRFANRHFSA-N 1 0 386.540 2.586 50 0 GFAARO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(OC)c1OC ZINC000058268106 570723784 /nfs/dbraw/zinc/72/37/84/570723784.db2.gz QLDFWFQMTPGESQ-GJZGRUSLSA-N 1 0 379.501 2.775 50 0 GFAARO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccccc2Oc2ccccc2)C1 ZINC000058310462 570726533 /nfs/dbraw/zinc/72/65/33/570726533.db2.gz QLOHDGSMABCJNL-KRWDZBQOSA-N 1 0 381.476 2.796 50 0 GFAARO C[C@H](CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000060156306 570740870 /nfs/dbraw/zinc/74/08/70/570740870.db2.gz SEYRUVGKFFAWJO-CRAIPNDOSA-N 1 0 377.916 2.930 50 0 GFAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c12 ZINC000036616547 570752837 /nfs/dbraw/zinc/75/28/37/570752837.db2.gz WDIBGRGANOGQPC-GOOCMWNKSA-N 1 0 379.464 2.892 50 0 GFAARO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@@H+]2CCC(=O)NC[C@H]2C)c1 ZINC000065526468 570771726 /nfs/dbraw/zinc/77/17/26/570771726.db2.gz NWXKQGKXXVDZKK-MRXNPFEDSA-N 1 0 383.496 2.564 50 0 GFAARO COc1ccc(-c2nccn3cc(C(=O)NCC[NH+]4CCCCC4)nc23)cc1 ZINC000065274460 570776831 /nfs/dbraw/zinc/77/68/31/570776831.db2.gz ZWJLARBEBBJYAS-UHFFFAOYSA-N 1 0 379.464 2.621 50 0 GFAARO Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000032768554 570803355 /nfs/dbraw/zinc/80/33/55/570803355.db2.gz PVHGSLZAGJUBCM-UHFFFAOYSA-N 1 0 394.519 2.814 50 0 GFAARO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101277894 570818198 /nfs/dbraw/zinc/81/81/98/570818198.db2.gz VWQFFCVTAAFTNP-MOPGFXCFSA-N 1 0 375.472 2.665 50 0 GFAARO COc1ccc(-c2noc(CCCC(=O)N3CCC([NH+]4CC=CC4)CC3)n2)cc1 ZINC000101448739 570823459 /nfs/dbraw/zinc/82/34/59/570823459.db2.gz PAVNSBUOLRBSDF-UHFFFAOYSA-N 1 0 396.491 2.931 50 0 GFAARO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000065553623 570834385 /nfs/dbraw/zinc/83/43/85/570834385.db2.gz IDUFXONNLGAFSD-QGZVFWFLSA-N 1 0 395.463 2.890 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000037077630 570836915 /nfs/dbraw/zinc/83/69/15/570836915.db2.gz FTDZEOPIYMCDPN-RQJZOYDLSA-N 1 0 377.573 2.802 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000037077632 570837077 /nfs/dbraw/zinc/83/70/77/570837077.db2.gz FTDZEOPIYMCDPN-ONUXSRJRSA-N 1 0 377.573 2.802 50 0 GFAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000043978941 570848943 /nfs/dbraw/zinc/84/89/43/570848943.db2.gz HNTKRVDQJUDENZ-UHFFFAOYSA-N 1 0 388.512 2.879 50 0 GFAARO CNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264592 570882783 /nfs/dbraw/zinc/88/27/83/570882783.db2.gz SXGHBIDAUAHQIS-PXNSSMCTSA-N 1 0 386.540 2.810 50 0 GFAARO COc1ccc(-c2nc3ccccc3c(NCCN3CC[NH+](C)CC3)n2)cc1 ZINC000022937866 570883077 /nfs/dbraw/zinc/88/30/77/570883077.db2.gz RUHCBLMBAPUGPC-UHFFFAOYSA-N 1 0 377.492 2.965 50 0 GFAARO CCn1cc(-c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2)cn1 ZINC000534590839 570906443 /nfs/dbraw/zinc/90/64/43/570906443.db2.gz JQBJQCUOMBTSPW-GOSISDBHSA-N 1 0 382.508 2.754 50 0 GFAARO Cc1ccc(-n2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2)cc1 ZINC000023127083 570912017 /nfs/dbraw/zinc/91/20/17/570912017.db2.gz DEINZINDWAOSNB-UHFFFAOYSA-N 1 0 375.476 2.970 50 0 GFAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000534651029 570913797 /nfs/dbraw/zinc/91/37/97/570913797.db2.gz WUZYWADYKNCEPV-MRXNPFEDSA-N 1 0 395.931 2.597 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000237454107 570943952 /nfs/dbraw/zinc/94/39/52/570943952.db2.gz LTYMWWLMUQOUNN-YJBOKZPZSA-N 1 0 381.476 2.564 50 0 GFAARO COc1cccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)[NH+](C)C)c1 ZINC000052839200 570950039 /nfs/dbraw/zinc/95/00/39/570950039.db2.gz WNDYDGTZQORLJJ-OAQYLSRUSA-N 1 0 395.503 2.850 50 0 GFAARO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000020606156 570952071 /nfs/dbraw/zinc/95/20/71/570952071.db2.gz DTEXTVRNUSPOTI-AWEZNQCLSA-N 1 0 381.505 2.925 50 0 GFAARO O=C(c1cccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1)N1CCCCC1 ZINC000195509517 570965592 /nfs/dbraw/zinc/96/55/92/570965592.db2.gz ISYFLOVKWLXZPH-UHFFFAOYSA-N 1 0 396.535 2.881 50 0 GFAARO COCCN(C)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cn1 ZINC000252482759 570968347 /nfs/dbraw/zinc/96/83/47/570968347.db2.gz DNFQILXJUIVHIV-FQEVSTJZSA-N 1 0 382.508 2.618 50 0 GFAARO Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc(N2CC[NH+](C)CC2)c1 ZINC000252501752 570976930 /nfs/dbraw/zinc/97/69/30/570976930.db2.gz UJIARBGGWRIFEQ-UHFFFAOYSA-N 1 0 378.476 2.884 50 0 GFAARO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)C1 ZINC000252511133 570981010 /nfs/dbraw/zinc/98/10/10/570981010.db2.gz ZUUWUZFLNCJSGQ-KRWDZBQOSA-N 1 0 394.541 2.513 50 0 GFAARO NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000022199281 654531771 /nfs/dbraw/zinc/53/17/71/654531771.db2.gz IVKAOXGJVSDQKG-OAHLLOKOSA-N 1 0 379.507 2.561 50 0 GFAARO O=C(CC[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1ccc(Br)cc1 ZINC000040120399 654620600 /nfs/dbraw/zinc/62/06/00/654620600.db2.gz GRHCIZYKGDVABL-UHFFFAOYSA-N 1 0 394.313 2.768 50 0 GFAARO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000042748728 654643848 /nfs/dbraw/zinc/64/38/48/654643848.db2.gz PHYRYUWBTXCUMY-SECBINFHSA-N 1 0 384.727 2.506 50 0 GFAARO O=C(C[C@H]1CC[NH2+]C[C@H]1F)Nc1nccn1Cc1ccc(Br)cc1 ZINC000888101819 663178386 /nfs/dbraw/zinc/17/83/86/663178386.db2.gz PFDBIXJKERLJDM-UKRRQHHQSA-N 1 0 395.276 2.970 50 0 GFAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000091656563 230965352 /nfs/dbraw/zinc/96/53/52/230965352.db2.gz SSTJVGXGEBFVAN-UHFFFAOYSA-N 1 0 376.504 2.663 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000095353873 230976394 /nfs/dbraw/zinc/97/63/94/230976394.db2.gz RJSHAGVSLYLPJQ-FQEVSTJZSA-N 1 0 382.508 2.545 50 0 GFAARO Cc1cc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)nc(N(C)C)n1 ZINC000426526853 231235745 /nfs/dbraw/zinc/23/57/45/231235745.db2.gz KOFYUGHJCFMSQI-RBUKOAKNSA-N 1 0 379.508 2.827 50 0 GFAARO C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000426612478 231245965 /nfs/dbraw/zinc/24/59/65/231245965.db2.gz DDICVIRFVBZUJR-OAHLLOKOSA-N 1 0 380.483 2.695 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426685458 529644934 /nfs/dbraw/zinc/64/49/34/529644934.db2.gz VHQFAQMYGAZMHX-HZPDHXFCSA-N 1 0 384.549 2.873 50 0 GFAARO CN(CC1(CO)CCOCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426536593 529854594 /nfs/dbraw/zinc/85/45/94/529854594.db2.gz ZMXWSYJKNFIJAV-FQEVSTJZSA-N 1 0 389.540 2.644 50 0 GFAARO CC(C)c1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299757772 222784385 /nfs/dbraw/zinc/78/43/85/222784385.db2.gz NAMDITLNQIKYGQ-OAHLLOKOSA-N 1 0 394.479 2.822 50 0 GFAARO COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC(=O)N2C)cc1 ZINC000253400197 212136059 /nfs/dbraw/zinc/13/60/59/212136059.db2.gz DRUXYJWJUPVKGV-RJJVWVDVSA-N 1 0 399.535 2.595 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252511250 212134327 /nfs/dbraw/zinc/13/43/27/212134327.db2.gz FIYSNFKLNQPDMP-GUDVDZBRSA-N 1 0 396.535 2.803 50 0 GFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000222135163 212114690 /nfs/dbraw/zinc/11/46/90/212114690.db2.gz FCLZRQJWBSZGNS-OXJNMPFZSA-N 1 0 386.517 2.797 50 0 GFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)C1 ZINC000011937080 212078598 /nfs/dbraw/zinc/07/85/98/212078598.db2.gz APNJZDMOWDRONV-INIZCTEOSA-N 1 0 381.480 2.937 50 0 GFAARO CCc1ccc([C@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000007684729 221006209 /nfs/dbraw/zinc/00/62/09/221006209.db2.gz ZZVXOFBJMCXHSO-IBGZPJMESA-N 1 0 378.476 2.529 50 0 GFAARO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(C)c3)n2)s1 ZINC000010156504 221098342 /nfs/dbraw/zinc/09/83/42/221098342.db2.gz GVJARNPDMQMRQY-UHFFFAOYSA-N 1 0 387.494 2.989 50 0 GFAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](C[C@H]2CC=CCC2)CC3)c(C)o1 ZINC000011872294 221133895 /nfs/dbraw/zinc/13/38/95/221133895.db2.gz JDWWPDAYZSRRFU-KRWDZBQOSA-N 1 0 383.496 2.632 50 0 GFAARO CN(CC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1)Cc1cccnc1 ZINC000011664942 221120690 /nfs/dbraw/zinc/12/06/90/221120690.db2.gz UPCHRLIPQPNYAB-QFIPXVFZSA-N 1 0 380.536 2.679 50 0 GFAARO CC(=O)N1CCC(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000011932766 221137991 /nfs/dbraw/zinc/13/79/91/221137991.db2.gz VAUBCYFCZHBHTF-OAQYLSRUSA-N 1 0 385.552 2.658 50 0 GFAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000012000389 221142630 /nfs/dbraw/zinc/14/26/30/221142630.db2.gz PDVPZDCOESZJQD-QGZVFWFLSA-N 1 0 399.539 2.786 50 0 GFAARO Cc1cccc(C[NH+]2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)n1 ZINC000012041277 221144397 /nfs/dbraw/zinc/14/43/97/221144397.db2.gz BKJYXWXSUWCWET-QHCPKHFHSA-N 1 0 392.503 2.813 50 0 GFAARO COC(=O)CCCC(=O)N(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012112022 221150490 /nfs/dbraw/zinc/15/04/90/221150490.db2.gz KWBRABUTAAUGIA-UHFFFAOYSA-N 1 0 390.524 2.751 50 0 GFAARO C[C@@H](CC[N@H+](C)CCn1cc(C(=O)NCc2ccncc2)nn1)c1ccccc1 ZINC000012243401 221173650 /nfs/dbraw/zinc/17/36/50/221173650.db2.gz CDWQIQYFOXNJDT-SFHVURJKSA-N 1 0 392.507 2.729 50 0 GFAARO O=c1c(C[NH2+]CCCn2ccnc2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000012241962 221173755 /nfs/dbraw/zinc/17/37/55/221173755.db2.gz JONZTIOCFXBARJ-UHFFFAOYSA-N 1 0 391.450 2.960 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CCCn1cncn1 ZINC000012430203 221191148 /nfs/dbraw/zinc/19/11/48/221191148.db2.gz KSPZQVFHSLPKIR-LJQANCHMSA-N 1 0 387.503 2.611 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1N1CCOCC1 ZINC000012435003 221193080 /nfs/dbraw/zinc/19/30/80/221193080.db2.gz UQKKRNVOIVRPKJ-OAQYLSRUSA-N 1 0 393.531 2.960 50 0 GFAARO Cc1c(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCC(C)C)[nH]c2ccccc12 ZINC000012442775 221195935 /nfs/dbraw/zinc/19/59/35/221195935.db2.gz FOBJQKJHBOWIAT-FQEVSTJZSA-N 1 0 384.524 2.671 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3ccc(OC)cc3F)CC2)CC1 ZINC000015079470 221332975 /nfs/dbraw/zinc/33/29/75/221332975.db2.gz XGDIEXUPUMFNLY-UHFFFAOYSA-N 1 0 391.531 2.991 50 0 GFAARO CCCn1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(C)n1 ZINC000014980645 221323729 /nfs/dbraw/zinc/32/37/29/221323729.db2.gz JGCRGMIRQXGZII-SFHVURJKSA-N 1 0 387.572 2.557 50 0 GFAARO Cc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1=O ZINC000082108785 136173690 /nfs/dbraw/zinc/17/36/90/136173690.db2.gz XJJJTLKROQHODO-UHFFFAOYSA-N 1 0 391.515 2.834 50 0 GFAARO Cc1ccc2c(c1)OC[C@@H](CC(=O)NCC[NH+](C)C)N2Cc1ccc(F)cc1 ZINC000084688318 136175188 /nfs/dbraw/zinc/17/51/88/136175188.db2.gz JNKIUPKVEVHLOI-LJQANCHMSA-N 1 0 385.483 2.970 50 0 GFAARO c1cnn(-c2ccc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000023290459 221590939 /nfs/dbraw/zinc/59/09/39/221590939.db2.gz DLAAUZLXJQMPJO-UHFFFAOYSA-N 1 0 376.460 2.919 50 0 GFAARO CCC(=O)Nc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000055211518 222017718 /nfs/dbraw/zinc/01/77/18/222017718.db2.gz YJSOOLIMNGHFCQ-IBGZPJMESA-N 1 0 381.476 2.805 50 0 GFAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1 ZINC000058178495 222043711 /nfs/dbraw/zinc/04/37/11/222043711.db2.gz KSLFOZYIOHEGCX-UHFFFAOYSA-N 1 0 379.464 2.832 50 0 GFAARO CCOC(=O)C1C(C[N@H+](CC)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000058200994 222045135 /nfs/dbraw/zinc/04/51/35/222045135.db2.gz VVJVDTKVFSXIDP-SFHVURJKSA-N 1 0 375.469 2.597 50 0 GFAARO CC[N@H+](Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000060350581 222060270 /nfs/dbraw/zinc/06/02/70/222060270.db2.gz CLYFVBGIBNCGAN-LJQANCHMSA-N 1 0 378.538 2.709 50 0 GFAARO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000065552024 222133160 /nfs/dbraw/zinc/13/31/60/222133160.db2.gz XRRVXVUIJUEPIV-FNORWQNLSA-N 1 0 398.450 2.927 50 0 GFAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000067291823 222143250 /nfs/dbraw/zinc/14/32/50/222143250.db2.gz VJRVNSAEVKZWMQ-UHFFFAOYSA-N 1 0 394.447 2.959 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3cscn3)C2=O)cc1 ZINC000067433011 222145911 /nfs/dbraw/zinc/14/59/11/222145911.db2.gz MXIGDDVYSQHOHN-NRFANRHFSA-N 1 0 387.549 2.952 50 0 GFAARO Cc1ccc(CC[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 ZINC000067540400 222148473 /nfs/dbraw/zinc/14/84/73/222148473.db2.gz WHEXGHKSJRPRBC-FQEVSTJZSA-N 1 0 378.419 2.552 50 0 GFAARO c1ccc(C[N@H+]2CC[C@H](NCc3noc(-c4ccc5c(c4)OCO5)n3)C2)cc1 ZINC000067688713 222155130 /nfs/dbraw/zinc/15/51/30/222155130.db2.gz SNTXIFBWGBKRHN-KRWDZBQOSA-N 1 0 378.432 2.829 50 0 GFAARO C[NH2+]C1CCN(C(=O)C[C@]2(Cc3ccccc3)c3ccccc3N(C)C2=O)CC1 ZINC000071751207 222190369 /nfs/dbraw/zinc/19/03/69/222190369.db2.gz YNSXSLIQPUHYEG-XMMPIXPASA-N 1 0 391.515 2.744 50 0 GFAARO O=C1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CCN1Cc1ccccc1 ZINC000067695273 222156536 /nfs/dbraw/zinc/15/65/36/222156536.db2.gz JEJCMUSCDNZOGO-HXUWFJFHSA-N 1 0 375.476 2.938 50 0 GFAARO CN1CC[N@H+](C)CC12CCN(Cc1sc(N3CCCC3)nc1Cl)CC2 ZINC000067946993 222169772 /nfs/dbraw/zinc/16/97/72/222169772.db2.gz JEEZEIXCRFPYEE-UHFFFAOYSA-N 1 0 383.993 2.609 50 0 GFAARO C[NH+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741126 222172791 /nfs/dbraw/zinc/17/27/91/222172791.db2.gz RHASTBCDJAQGAC-UHFFFAOYSA-N 1 0 378.338 2.954 50 0 GFAARO COCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071524743 222186120 /nfs/dbraw/zinc/18/61/20/222186120.db2.gz IVYMXKDMGKDSBB-OAQYLSRUSA-N 1 0 387.568 2.510 50 0 GFAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071662849 222186390 /nfs/dbraw/zinc/18/63/90/222186390.db2.gz AGYDRGNITTZJFO-FQEVSTJZSA-N 1 0 396.535 2.710 50 0 GFAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000071738897 222186709 /nfs/dbraw/zinc/18/67/09/222186709.db2.gz WRLLAVOJISBSBR-GOSISDBHSA-N 1 0 383.536 2.899 50 0 GFAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000071730323 222188218 /nfs/dbraw/zinc/18/82/18/222188218.db2.gz NXVAORJKCLSEJE-FQEVSTJZSA-N 1 0 382.508 2.667 50 0 GFAARO CC(C)[C@H]1CN(c2cc(NCCO)ncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763340 222193799 /nfs/dbraw/zinc/19/37/99/222193799.db2.gz NOKVZHWKRZVZQS-LJQANCHMSA-N 1 0 387.503 2.757 50 0 GFAARO CN1C[C@@]2(CCC[N@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)OC1=O ZINC000072129093 222208139 /nfs/dbraw/zinc/20/81/39/222208139.db2.gz BOCQRRNZDFHEQX-NRFANRHFSA-N 1 0 381.480 2.895 50 0 GFAARO O=C(N1CCO[C@@]2(C1)C[NH2+]CCOC2)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000072140226 222210492 /nfs/dbraw/zinc/21/04/92/222210492.db2.gz DETSQHBZPQGMTK-HXUWFJFHSA-N 1 0 392.927 2.759 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CN2CCCCC2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072152920 222213186 /nfs/dbraw/zinc/21/31/86/222213186.db2.gz AWXLUPJQXPFFMI-FQEVSTJZSA-N 1 0 389.515 2.897 50 0 GFAARO O=C(c1ccncc1)N1CCC([NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1 ZINC000072151876 222213267 /nfs/dbraw/zinc/21/32/67/222213267.db2.gz FYJVKRHLVFNRFA-QFIPXVFZSA-N 1 0 391.515 2.637 50 0 GFAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1 ZINC000072169287 222214142 /nfs/dbraw/zinc/21/41/42/222214142.db2.gz KIZOUUJZHHAUED-OAQYLSRUSA-N 1 0 382.512 2.841 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CCCn2cncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072162044 222214691 /nfs/dbraw/zinc/21/46/91/222214691.db2.gz SCVJMPMKKZYIFM-HXUWFJFHSA-N 1 0 387.503 2.957 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCn2cccn2)Cc2ccccc2C1 ZINC000072172637 222216592 /nfs/dbraw/zinc/21/65/92/222216592.db2.gz SMPLWNKMESYGSS-UHFFFAOYSA-N 1 0 388.515 2.711 50 0 GFAARO CC(C)Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)n(C)n1 ZINC000072408518 222254984 /nfs/dbraw/zinc/25/49/84/222254984.db2.gz JLKWDFDWZRPUBQ-OAQYLSRUSA-N 1 0 380.536 2.934 50 0 GFAARO c1ccc(-c2nc3c(c(NCc4ccc5c(c4)OCO5)n2)CC[NH2+]CC3)nc1 ZINC000072448172 222263969 /nfs/dbraw/zinc/26/39/69/222263969.db2.gz ARFLDUHHDFUCTM-UHFFFAOYSA-N 1 0 375.432 2.568 50 0 GFAARO CNc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cn1 ZINC000095505216 222338488 /nfs/dbraw/zinc/33/84/88/222338488.db2.gz WAFGUTOCABZSMK-SFHVURJKSA-N 1 0 397.523 2.554 50 0 GFAARO COc1cccc([C@H]2CN(C(=O)c3cccnc3OC)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095506633 222339147 /nfs/dbraw/zinc/33/91/47/222339147.db2.gz VUJKHPYUUWTXBJ-NJDAHSKKSA-N 1 0 393.487 2.801 50 0 GFAARO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000095507827 222341086 /nfs/dbraw/zinc/34/10/86/222341086.db2.gz QTNMRRSXDYAMML-QGZVFWFLSA-N 1 0 383.467 2.605 50 0 GFAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000077288013 222277950 /nfs/dbraw/zinc/27/79/50/222277950.db2.gz TVMMBDVGFPDREJ-GOSISDBHSA-N 1 0 381.476 2.635 50 0 GFAARO C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O ZINC000077343938 222278858 /nfs/dbraw/zinc/27/88/58/222278858.db2.gz JKMCLPDXFSWKOT-UHFFFAOYSA-N 1 0 399.535 2.774 50 0 GFAARO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000077426226 222281467 /nfs/dbraw/zinc/28/14/67/222281467.db2.gz COABUHVPEWTYQL-GOSISDBHSA-N 1 0 383.540 2.698 50 0 GFAARO COCCn1cncc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000095519042 222344074 /nfs/dbraw/zinc/34/40/74/222344074.db2.gz YXXICICOSANOHV-INIZCTEOSA-N 1 0 390.915 2.825 50 0 GFAARO CCNc1nc(NCCNS(=O)(=O)c2c(C)cc(C)cc2C)cc(C)[nH+]1 ZINC000082230615 222313132 /nfs/dbraw/zinc/31/31/32/222313132.db2.gz ZDWSMOMBYPORKP-UHFFFAOYSA-N 1 0 377.514 2.532 50 0 GFAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000084536072 222315725 /nfs/dbraw/zinc/31/57/25/222315725.db2.gz IFGUTIGXGBPOCG-UHFFFAOYSA-N 1 0 378.520 2.967 50 0 GFAARO COc1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)ccc1O ZINC000095524375 222348813 /nfs/dbraw/zinc/34/88/13/222348813.db2.gz SPCRXDSXLSIYJJ-UHFFFAOYSA-N 1 0 386.496 2.569 50 0 GFAARO Cc1c(CC(=O)N[C@H]2CC[NH2+]C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000095523697 222349027 /nfs/dbraw/zinc/34/90/27/222349027.db2.gz IAHASGUDVRQRRF-KRWDZBQOSA-N 1 0 383.467 2.524 50 0 GFAARO C[N@H+](CC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527534 222351016 /nfs/dbraw/zinc/35/10/16/222351016.db2.gz ZPZRCGBRCMHGRB-MRXNPFEDSA-N 1 0 387.553 2.968 50 0 GFAARO COc1ccc(CN(C)Cc2ccccn2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095525800 222351116 /nfs/dbraw/zinc/35/11/16/222351116.db2.gz YECLBMNMUAZZDG-HXUWFJFHSA-N 1 0 385.508 2.558 50 0 GFAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095526839 222351314 /nfs/dbraw/zinc/35/13/14/222351314.db2.gz FSXZGRQYQBSORA-QGZVFWFLSA-N 1 0 385.512 2.612 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)Cc3noc4ccccc34)C[C@H]2[NH+](C)C)cc1 ZINC000095531293 222352692 /nfs/dbraw/zinc/35/26/92/222352692.db2.gz FIBVMLYFOZCBRO-AZUAARDMSA-N 1 0 379.460 2.935 50 0 GFAARO c1ccc(OCc2nc([C@H]3CC[NH2+]C3)n(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000096141770 222387927 /nfs/dbraw/zinc/38/79/27/222387927.db2.gz RPQRSVFSPSAANA-HNNXBMFYSA-N 1 0 378.432 2.694 50 0 GFAARO Cc1nc2c(c(NCCC[N@@H+]3CCC[C@H](CO)C3)n1)Cc1ccccc1OC2 ZINC000096149137 222390201 /nfs/dbraw/zinc/39/02/01/222390201.db2.gz NAGAEPXSIWKOIA-KRWDZBQOSA-N 1 0 382.508 2.775 50 0 GFAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)c(C)c1 ZINC000096164334 222395474 /nfs/dbraw/zinc/39/54/74/222395474.db2.gz GPOXKENNUPSNOL-UHFFFAOYSA-N 1 0 383.540 2.644 50 0 GFAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000096180225 222395768 /nfs/dbraw/zinc/39/57/68/222395768.db2.gz YRGHEKDLHMCJEN-HXUWFJFHSA-N 1 0 378.476 2.992 50 0 GFAARO COc1cc(C(=O)N2CCOCC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095521082 222345936 /nfs/dbraw/zinc/34/59/36/222345936.db2.gz FHTCQXSURSRXBK-UHFFFAOYSA-N 1 0 388.508 2.953 50 0 GFAARO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000097590636 222447459 /nfs/dbraw/zinc/44/74/59/222447459.db2.gz CKBPZTXRAFIRJZ-LBPRGKRZSA-N 1 0 385.277 2.819 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3S1)CC2 ZINC000092028810 521723647 /nfs/dbraw/zinc/72/36/47/521723647.db2.gz YKNIUYGMXSNTIG-SFHVURJKSA-N 1 0 382.533 2.822 50 0 GFAARO CC1(C)CC(n2cc(-c3cnc(NC[C@@H]4CCCO4)nc3)nn2)CC(C)(C)[NH2+]1 ZINC000091693587 528892162 /nfs/dbraw/zinc/89/21/62/528892162.db2.gz PCMWKOXQGGTLBO-INIZCTEOSA-N 1 0 385.516 2.808 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccc(CC(=O)N(C)C)cc3)cc2)CC[NH2+]1 ZINC000426538089 529281734 /nfs/dbraw/zinc/28/17/34/529281734.db2.gz LNPZIYLUQCTPHE-NRFANRHFSA-N 1 0 379.504 2.808 50 0 GFAARO CCc1cc(N2CCC(CCC(=O)NC[C@H]3CCC[N@H+]3CC)CC2)nc(C)n1 ZINC000095499593 536145266 /nfs/dbraw/zinc/14/52/66/536145266.db2.gz BRBLKRXYAWSYEC-HXUWFJFHSA-N 1 0 387.572 2.945 50 0 GFAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ncnc4[nH]ccc43)C2)CC1 ZINC000072158267 537071283 /nfs/dbraw/zinc/07/12/83/537071283.db2.gz PWSTZYVYRZZNET-KRWDZBQOSA-N 1 0 392.507 2.758 50 0 GFAARO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000013673619 551109719 /nfs/dbraw/zinc/10/97/19/551109719.db2.gz ZDEXFGRZRDNCQB-UHFFFAOYSA-N 1 0 389.359 2.991 50 0 GFAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)c(C)c1Br ZINC000191372124 552526375 /nfs/dbraw/zinc/52/63/75/552526375.db2.gz HKBYNQRHAXUDKC-CQSZACIVSA-N 1 0 377.286 2.815 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000237264706 553076448 /nfs/dbraw/zinc/07/64/48/553076448.db2.gz XZEZNQDPXNQUGA-ZDUSSCGKSA-N 1 0 377.286 2.706 50 0 GFAARO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC000377312994 563470990 /nfs/dbraw/zinc/47/09/90/563470990.db2.gz ZZYLGLYDQRQKSS-WMZOPIPTSA-N 1 0 379.913 2.847 50 0 GFAARO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000660151704 565260821 /nfs/dbraw/zinc/26/08/21/565260821.db2.gz WAQWJCMFDFUKGK-OAHLLOKOSA-N 1 0 390.908 2.743 50 0 GFAARO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653082116 565954404 /nfs/dbraw/zinc/95/44/04/565954404.db2.gz JTLYGFCHHMRYRO-CABCVRRESA-N 1 0 390.285 2.558 50 0 GFAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)cn2)CC1 ZINC000048289366 570228281 /nfs/dbraw/zinc/22/82/81/570228281.db2.gz UKYBABNXNGUFOS-UHFFFAOYSA-N 1 0 390.491 2.544 50 0 GFAARO COc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000020109771 570240461 /nfs/dbraw/zinc/24/04/61/570240461.db2.gz WOKHVZIZCODFAG-GOSISDBHSA-N 1 0 376.884 2.911 50 0 GFAARO Cc1cc2nc(C(=O)NC3CC[NH+](Cc4ccccc4F)CC3)cc(C)n2n1 ZINC000097288670 570240614 /nfs/dbraw/zinc/24/06/14/570240614.db2.gz MJRBJPLGAWQSKN-UHFFFAOYSA-N 1 0 381.455 2.880 50 0 GFAARO O[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CC[C@H]1N1CCOCC1 ZINC000020210083 570248092 /nfs/dbraw/zinc/24/80/92/570248092.db2.gz YMRCCOOCUUKYNW-RTBURBONSA-N 1 0 376.884 2.867 50 0 GFAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)NC[C@@H]1CCCO1 ZINC000020363406 570253592 /nfs/dbraw/zinc/25/35/92/570253592.db2.gz BVSKVKWBPZOLDV-KRWDZBQOSA-N 1 0 388.537 2.979 50 0 GFAARO CC(C)(O)c1cn(CC2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 ZINC000020601440 570270397 /nfs/dbraw/zinc/27/03/97/570270397.db2.gz VCHNMDYYZNRVGL-LJQANCHMSA-N 1 0 387.503 2.636 50 0 GFAARO Cc1ccc(N2C(=O)C[C@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000100711019 570274964 /nfs/dbraw/zinc/27/49/64/570274964.db2.gz CBUPVGYWCGHUAN-NRFANRHFSA-N 1 0 377.488 2.881 50 0 GFAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)CN1Cc1cccc2ccccc21 ZINC000020917032 570285070 /nfs/dbraw/zinc/28/50/70/570285070.db2.gz ZFIJTWHNBJLVCK-GMAHTHKFSA-N 1 0 394.563 2.603 50 0 GFAARO Cc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000020999813 570287190 /nfs/dbraw/zinc/28/71/90/570287190.db2.gz HCRPPKDAOXUFSG-GOSISDBHSA-N 1 0 386.540 2.575 50 0 GFAARO CC[NH+]1CCN(c2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)CC1 ZINC000021150336 570288704 /nfs/dbraw/zinc/28/87/04/570288704.db2.gz GFUQSJIILUXLAT-UHFFFAOYSA-N 1 0 381.480 2.864 50 0 GFAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCCCCC1)c1cccc(OC)c1 ZINC000023434458 570323622 /nfs/dbraw/zinc/32/36/22/570323622.db2.gz IJQFNHBOBYCLOI-IBGZPJMESA-N 1 0 383.558 2.789 50 0 GFAARO Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035349305 570343531 /nfs/dbraw/zinc/34/35/31/570343531.db2.gz MOFSTHQFOMTBDF-NRFANRHFSA-N 1 0 377.488 2.887 50 0 GFAARO O=C(NC1CCCCC1)[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000034918792 570345046 /nfs/dbraw/zinc/34/50/46/570345046.db2.gz JZTYHRDYBKDEQX-LJQANCHMSA-N 1 0 383.536 2.948 50 0 GFAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000023242113 570351851 /nfs/dbraw/zinc/35/18/51/570351851.db2.gz NRQVQKUCPGXVAG-MRXNPFEDSA-N 1 0 386.323 2.958 50 0 GFAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)NCCC2=CCCCC2)cc1 ZINC000023473064 570363207 /nfs/dbraw/zinc/36/32/07/570363207.db2.gz XFNJKAGIHLRNRK-QFIPXVFZSA-N 1 0 385.552 2.965 50 0 GFAARO CC(C)([NH3+])c1cn(C[C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000023620066 570366666 /nfs/dbraw/zinc/36/66/66/570366666.db2.gz ZXBGOAIIRSFKPE-HNNXBMFYSA-N 1 0 390.919 2.747 50 0 GFAARO COc1cc(OC)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(OC)c1 ZINC000023718669 570370192 /nfs/dbraw/zinc/37/01/92/570370192.db2.gz NUZWGVWCNQMDHK-LJQANCHMSA-N 1 0 386.492 2.703 50 0 GFAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@H+]4CCC[C@@H](C)C4)c3c2c1 ZINC000004961870 570383306 /nfs/dbraw/zinc/38/33/06/570383306.db2.gz CNPSXNSQXANFAF-MRXNPFEDSA-N 1 0 396.491 2.689 50 0 GFAARO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000024880416 570397555 /nfs/dbraw/zinc/39/75/55/570397555.db2.gz COOYACSVPNIEFD-CQSZACIVSA-N 1 0 390.509 2.561 50 0 GFAARO C[C@@H](C[NH+](C)C)OC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000005047099 570405980 /nfs/dbraw/zinc/40/59/80/570405980.db2.gz XBEBFVHOYXMEKW-LZNAANCOSA-N 1 0 396.443 2.680 50 0 GFAARO CCn1c(=O)cc(OCC(=O)NCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005067471 570410201 /nfs/dbraw/zinc/41/02/01/570410201.db2.gz DCYSUORRLAAZBD-UHFFFAOYSA-N 1 0 393.487 2.648 50 0 GFAARO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000239367334 570429496 /nfs/dbraw/zinc/42/94/96/570429496.db2.gz AIINKCQZJISZLU-OALUTQOASA-N 1 0 376.472 2.777 50 0 GFAARO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)C1=O ZINC000239432832 570429994 /nfs/dbraw/zinc/42/99/94/570429994.db2.gz WOYYFQKPYWYZKQ-ZDPZECHZSA-N 1 0 399.491 2.837 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000240902751 570431292 /nfs/dbraw/zinc/43/12/92/570431292.db2.gz IVCQJPHMEWRPQF-JKSUJKDBSA-N 1 0 380.483 2.821 50 0 GFAARO Cc1ccc(C(=O)NCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000029839994 570481445 /nfs/dbraw/zinc/48/14/45/570481445.db2.gz PSBBCLXBXNMMQY-UHFFFAOYSA-N 1 0 379.504 2.598 50 0 GFAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(C)cc2)c1 ZINC000006700979 570488788 /nfs/dbraw/zinc/48/87/88/570488788.db2.gz AYOHEJLRHFBCLB-UHFFFAOYSA-N 1 0 397.475 2.551 50 0 GFAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000036095029 570534489 /nfs/dbraw/zinc/53/44/89/570534489.db2.gz ROMOLONFNZMISX-GOSISDBHSA-N 1 0 375.465 2.592 50 0 GFAARO COc1ccc(CCC(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022794412 570547893 /nfs/dbraw/zinc/54/78/93/570547893.db2.gz QMTHCEPPMQCAJZ-HXUWFJFHSA-N 1 0 387.549 2.794 50 0 GFAARO Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1COc3ccccc3C1)C[C@H](C)O2 ZINC000039355297 570589494 /nfs/dbraw/zinc/58/94/94/570589494.db2.gz LMDATTPZGPLQJT-FXAWDEMLSA-N 1 0 380.488 2.945 50 0 GFAARO CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c1C ZINC000169680678 570601593 /nfs/dbraw/zinc/60/15/93/570601593.db2.gz OMWBHPIRMTYQED-APWZRJJASA-N 1 0 384.528 2.904 50 0 GFAARO O=C1CCCN1CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040721986 570606435 /nfs/dbraw/zinc/60/64/35/570606435.db2.gz JUMMCABFEDNING-UHFFFAOYSA-N 1 0 392.463 2.557 50 0 GFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[N@H+]1CCC[C@H](C)C1)CO2 ZINC000006819818 570621926 /nfs/dbraw/zinc/62/19/26/570621926.db2.gz AVTVKIXODHMMLY-KRWDZBQOSA-N 1 0 382.508 2.989 50 0 GFAARO COCCN1C(=O)C[C@@H](C[NH2+]Cc2ccc(SC)s2)[C@@H]1c1cnn(C)c1 ZINC000225836585 570624284 /nfs/dbraw/zinc/62/42/84/570624284.db2.gz QJWANWBRMWKLPI-SCLBCKFNSA-N 1 0 394.566 2.529 50 0 GFAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022619 570648722 /nfs/dbraw/zinc/64/87/22/570648722.db2.gz IWLGVZHJMPDXDG-ZDUSSCGKSA-N 1 0 387.509 2.703 50 0 GFAARO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000242324453 570689295 /nfs/dbraw/zinc/68/92/95/570689295.db2.gz ZBLHEPLDAMITDE-SFHVURJKSA-N 1 0 375.513 2.882 50 0 GFAARO Cc1ccc(C2(O)CC[NH+](CCC(=O)Nc3cc(F)ccc3F)CC2)nc1 ZINC000243932483 570692118 /nfs/dbraw/zinc/69/21/18/570692118.db2.gz BVVMRINRXPVFSV-UHFFFAOYSA-N 1 0 375.419 2.980 50 0 GFAARO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)C[C@H](C)O1 ZINC000244701001 570694875 /nfs/dbraw/zinc/69/48/75/570694875.db2.gz JYDXYVGSSITSRJ-JUJSEWBNSA-N 1 0 386.536 2.775 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000036446762 570711919 /nfs/dbraw/zinc/71/19/19/570711919.db2.gz HRCLUERWVYXEJP-IRXDYDNUSA-N 1 0 375.538 2.545 50 0 GFAARO CC(C)n1cc(C[NH+]2CCN(c3cnn4cnnc4c3)CC2)c2ccccc21 ZINC000065282491 570780178 /nfs/dbraw/zinc/78/01/78/570780178.db2.gz FDXWHWKLPKBBSJ-UHFFFAOYSA-N 1 0 375.480 2.982 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000032763586 570800732 /nfs/dbraw/zinc/80/07/32/570800732.db2.gz AREDRZPJBZJMNT-LJQANCHMSA-N 1 0 387.549 2.749 50 0 GFAARO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)CCC[NH+]2CCCC2)cc1 ZINC000170607649 570864831 /nfs/dbraw/zinc/86/48/31/570864831.db2.gz IXJCPTNWUZTBPS-QGZVFWFLSA-N 1 0 395.569 2.711 50 0 GFAARO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000033265827 570884046 /nfs/dbraw/zinc/88/40/46/570884046.db2.gz VOGUVLIVOAZOKS-UHFFFAOYSA-N 1 0 394.519 2.750 50 0 GFAARO CC(C)CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299771030 570894014 /nfs/dbraw/zinc/89/40/14/570894014.db2.gz YLMWADRMNLMDBC-HXUWFJFHSA-N 1 0 378.488 2.942 50 0 GFAARO O=C(C1CCCCC1)N1CCCN([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097112815 570895933 /nfs/dbraw/zinc/89/59/33/570895933.db2.gz FIRDEJMCEALNFH-OAQYLSRUSA-N 1 0 383.536 2.902 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cccc(-c4ncc[nH]4)c3)cc2C1 ZINC000299795489 570896982 /nfs/dbraw/zinc/89/69/82/570896982.db2.gz MDISDFKYJZBXGJ-UHFFFAOYSA-N 1 0 378.480 2.819 50 0 GFAARO Cc1nc[nH]c1CSCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000534576706 570901357 /nfs/dbraw/zinc/90/13/57/570901357.db2.gz YKNNYZKJHGMKOL-GOSISDBHSA-N 1 0 387.553 2.867 50 0 GFAARO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089741059 570911189 /nfs/dbraw/zinc/91/11/89/570911189.db2.gz ZTMHOSVQEZMKJI-UONOGXRCSA-N 1 0 382.291 2.697 50 0 GFAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 ZINC000534641459 570913137 /nfs/dbraw/zinc/91/31/37/570913137.db2.gz FGERLWZMXDJQJM-UHFFFAOYSA-N 1 0 388.471 2.665 50 0 GFAARO Cc1cc(N2CCCN(C(=O)NCc3noc(C4CCCC4)n3)CC2)cc[nH+]1 ZINC000534668907 570920063 /nfs/dbraw/zinc/92/00/63/570920063.db2.gz ZNBVLRWSDGJWIF-UHFFFAOYSA-N 1 0 384.484 2.853 50 0 GFAARO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000019223967 570964174 /nfs/dbraw/zinc/96/41/74/570964174.db2.gz VUEILZDRGLBRFQ-HXUWFJFHSA-N 1 0 399.535 2.581 50 0 GFAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(OC(C)C)c1 ZINC000252490605 570971302 /nfs/dbraw/zinc/97/13/02/570971302.db2.gz KXSANDMERBZINZ-UHFFFAOYSA-N 1 0 384.480 2.882 50 0 GFAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccccc2OC(F)(F)C(F)F)C1 ZINC000091306198 571002749 /nfs/dbraw/zinc/00/27/49/571002749.db2.gz BYYQZLZPTCVHTG-CHWSQXEVSA-N 1 0 392.393 2.556 50 0 GFAARO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000170676590 571008719 /nfs/dbraw/zinc/00/87/19/571008719.db2.gz RGZDAGWJKJUUMP-XMSQKQJNSA-N 1 0 381.520 2.639 50 0 GFAARO Cc1cccc(C2N=NC(=S)N2CC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000084213199 571009607 /nfs/dbraw/zinc/00/96/07/571009607.db2.gz ADIJCMZQGVSYPA-UHFFFAOYSA-N 1 0 387.553 2.875 50 0 GFAARO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 ZINC000084240995 571010625 /nfs/dbraw/zinc/01/06/25/571010625.db2.gz INFYDUKETSMZRD-UHFFFAOYSA-N 1 0 389.525 2.913 50 0 GFAARO Cc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000091594447 571016423 /nfs/dbraw/zinc/01/64/23/571016423.db2.gz ODICJQYCWSVWIN-NRFANRHFSA-N 1 0 385.552 2.530 50 0 GFAARO Cn1c2ccccc2cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1=O ZINC000091808619 571031242 /nfs/dbraw/zinc/03/12/42/571031242.db2.gz KWBDPAZKVOMFJW-QHCPKHFHSA-N 1 0 379.504 2.763 50 0 GFAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000091818647 571031772 /nfs/dbraw/zinc/03/17/72/571031772.db2.gz FCENQINUWDCJPE-UHFFFAOYSA-N 1 0 376.508 2.965 50 0 GFAARO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(C(=O)c3ccccn3)CC1)C2 ZINC000091847100 571033214 /nfs/dbraw/zinc/03/32/14/571033214.db2.gz GBYCIFUFZYBXNR-INIZCTEOSA-N 1 0 381.476 2.536 50 0 GFAARO CCN1C[C@@]2(CCC[N@H+](Cc3cc(C(N)=O)oc3C(C)(C)C)C2)CCC1=O ZINC000092061885 571043001 /nfs/dbraw/zinc/04/30/01/571043001.db2.gz XJLHEBBQPRHVSL-NRFANRHFSA-N 1 0 375.513 2.901 50 0 GFAARO Cc1cnn(CCC[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1 ZINC000092062386 571043480 /nfs/dbraw/zinc/04/34/80/571043480.db2.gz QZTSADCIRADIPA-JOCHJYFZSA-N 1 0 381.524 2.881 50 0 GFAARO O=C(c1c[nH]nc1-c1ccccc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095363034 571056501 /nfs/dbraw/zinc/05/65/01/571056501.db2.gz ZMCLVMJTPNUMBB-QFBILLFUSA-N 1 0 380.492 2.792 50 0 GFAARO O=C(NCCc1nc(-c2cccnc2)no1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095366831 571058882 /nfs/dbraw/zinc/05/88/82/571058882.db2.gz WEPZSQPHRZSLDF-KRWDZBQOSA-N 1 0 377.448 2.571 50 0 GFAARO O=C(c1cccc(-n2cccn2)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095377065 571065220 /nfs/dbraw/zinc/06/52/20/571065220.db2.gz KPHNHMIHYZLEHP-LAUBAEHRSA-N 1 0 380.492 2.588 50 0 GFAARO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)c(C)n1 ZINC000095378156 571065471 /nfs/dbraw/zinc/06/54/71/571065471.db2.gz CTQHAPICVQAOIF-FXAWDEMLSA-N 1 0 376.504 2.797 50 0 GFAARO CNC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)o1 ZINC000095392918 571073461 /nfs/dbraw/zinc/07/34/61/571073461.db2.gz DZPUQLIWFIVCIM-ZWKOTPCHSA-N 1 0 383.492 2.744 50 0 GFAARO Cc1ccsc1CCNC(=O)c1ccc([C@H]2CCCN2C(=O)C[NH3+])s1 ZINC000020868649 654525141 /nfs/dbraw/zinc/52/51/41/654525141.db2.gz YHHNEZWRGGJBDE-CYBMUJFWSA-N 1 0 377.535 2.713 50 0 GFAARO Cc1sc2ncnc(N3CCC([NH2+]Cc4nnc(N)s4)CC3)c2c1C ZINC000095518518 655029613 /nfs/dbraw/zinc/02/96/13/655029613.db2.gz INDQJUYXUAZZLH-UHFFFAOYSA-N 1 0 375.527 2.500 50 0 GFAARO CN(C(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000172639071 231028796 /nfs/dbraw/zinc/02/87/96/231028796.db2.gz KEXLGIVCBALWAR-QGZVFWFLSA-N 1 0 382.464 2.971 50 0 GFAARO Cc1ccc(-c2cccc(C(=O)NCc3cc4n(n3)CCC[NH2+]C4)c2)c(C)n1 ZINC000426433560 231220560 /nfs/dbraw/zinc/22/05/60/231220560.db2.gz FQHKQHFLDFESSY-UHFFFAOYSA-N 1 0 375.476 2.985 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000409413693 231203817 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CN(CCOc1cccc(Cl)c1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426388227 529926158 /nfs/dbraw/zinc/92/61/58/529926158.db2.gz XDROAWBDMMGSEG-HNNXBMFYSA-N 1 0 376.888 2.541 50 0 GFAARO O=S(=O)(Cc1cc(F)ccc1F)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225574300 222683573 /nfs/dbraw/zinc/68/35/73/222683573.db2.gz QXUNITDLXFYMSV-MRXNPFEDSA-N 1 0 390.521 2.602 50 0 GFAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794764 220961819 /nfs/dbraw/zinc/96/18/19/220961819.db2.gz MXKKGAIASNOPKV-SFHVURJKSA-N 1 0 397.523 2.757 50 0 GFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524509 221000214 /nfs/dbraw/zinc/00/02/14/221000214.db2.gz KXXIBDFANFDKHI-UHFFFAOYSA-N 1 0 396.234 2.738 50 0 GFAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](C2=Cc3ccccc3OC2)N1)OCCCO4 ZINC000008778846 221058728 /nfs/dbraw/zinc/05/87/28/221058728.db2.gz RGAAPBSTQLPEOI-IBGZPJMESA-N 1 0 389.415 2.722 50 0 GFAARO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864189 221060930 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GFAARO CCC[NH+]1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000012003657 221142671 /nfs/dbraw/zinc/14/26/71/221142671.db2.gz HSHYWXPJVNCWEY-NRFANRHFSA-N 1 0 389.496 2.636 50 0 GFAARO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012050695 221145215 /nfs/dbraw/zinc/14/52/15/221145215.db2.gz RNLILUXWTYJJRT-LJQANCHMSA-N 1 0 393.487 2.808 50 0 GFAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 ZINC000012037434 221145383 /nfs/dbraw/zinc/14/53/83/221145383.db2.gz JRJLMQAZVVVDIE-GQCTYLIASA-N 1 0 381.480 2.529 50 0 GFAARO CCc1c(C(=O)NCc2ccccn2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012035047 221145612 /nfs/dbraw/zinc/14/56/12/221145612.db2.gz RKIFWXQTMMJXMZ-SFHVURJKSA-N 1 0 382.508 2.528 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnc4ccccc43)C2)c1 ZINC000012308853 221179529 /nfs/dbraw/zinc/17/95/29/221179529.db2.gz NZQTXICOYBXGIJ-SFHVURJKSA-N 1 0 378.476 2.826 50 0 GFAARO Cn1cc(/C=C/C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000012432009 221193671 /nfs/dbraw/zinc/19/36/71/221193671.db2.gz CKSACKLLTUWYKZ-YVSHKSEASA-N 1 0 378.520 2.991 50 0 GFAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1cn(Cc2ccc(F)cc2)nn1 ZINC000012577684 221210222 /nfs/dbraw/zinc/21/02/22/221210222.db2.gz VVEBMYOSAHUFAY-UHFFFAOYSA-N 1 0 385.487 2.994 50 0 GFAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)CC1=O ZINC000012372760 221186665 /nfs/dbraw/zinc/18/66/65/221186665.db2.gz CMYRNEHOVRQDGX-OAHLLOKOSA-N 1 0 387.480 2.967 50 0 GFAARO Nc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)cn1 ZINC000012385910 221188083 /nfs/dbraw/zinc/18/80/83/221188083.db2.gz JVTQNAKCOGOQDS-INIZCTEOSA-N 1 0 375.476 2.854 50 0 GFAARO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012612813 221213927 /nfs/dbraw/zinc/21/39/27/221213927.db2.gz NTASZSHQWBVGBL-LJQANCHMSA-N 1 0 378.561 2.541 50 0 GFAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Cn4cnnn4)cc3)C2)C1 ZINC000012712020 221218857 /nfs/dbraw/zinc/21/88/57/221218857.db2.gz IYIDFHQLLVUUFL-JOCHJYFZSA-N 1 0 396.539 2.696 50 0 GFAARO CC[NH+](CC)CCNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012763733 221228073 /nfs/dbraw/zinc/22/80/73/221228073.db2.gz NUKXJTLKXJSTFM-UHFFFAOYSA-N 1 0 398.532 2.891 50 0 GFAARO CS(=O)(=O)Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000012821660 221236955 /nfs/dbraw/zinc/23/69/55/221236955.db2.gz VPTWUVNZYQHSHF-UHFFFAOYSA-N 1 0 386.517 2.757 50 0 GFAARO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000014745785 221316087 /nfs/dbraw/zinc/31/60/87/221316087.db2.gz CDJLLIYKUMAVOO-QGZVFWFLSA-N 1 0 395.532 2.937 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000015339517 221335366 /nfs/dbraw/zinc/33/53/66/221335366.db2.gz NUUYQNOQMFAMEP-UHFFFAOYSA-N 1 0 375.469 2.951 50 0 GFAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1C ZINC000015482964 221336517 /nfs/dbraw/zinc/33/65/17/221336517.db2.gz BKYMBFRZEXBJPO-ZDUSSCGKSA-N 1 0 395.912 2.894 50 0 GFAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccc3c(c1)CCO3)CCO2 ZINC000014998008 221326481 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CC1(C)CCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067674665 136164731 /nfs/dbraw/zinc/16/47/31/136164731.db2.gz PZNYPDYGPVNIBO-UHFFFAOYSA-N 1 0 386.540 2.645 50 0 GFAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 ZINC000072173904 136167440 /nfs/dbraw/zinc/16/74/40/136167440.db2.gz PZVGRDTZSHRGNJ-LJQANCHMSA-N 1 0 379.508 2.813 50 0 GFAARO COc1cc(N2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000072170464 136167529 /nfs/dbraw/zinc/16/75/29/136167529.db2.gz GBYBMSSBHBXIOS-KRWDZBQOSA-N 1 0 386.496 2.646 50 0 GFAARO O=C(CCC1CCN(c2cnccn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076949846 136171552 /nfs/dbraw/zinc/17/15/52/136171552.db2.gz OXIUOCQPLILJHV-OAQYLSRUSA-N 1 0 393.535 2.864 50 0 GFAARO O=C1N(Cc2noc(-c3ccccc3)n2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082092850 136173535 /nfs/dbraw/zinc/17/35/35/136173535.db2.gz OHZDDNHZUKKJKX-UHFFFAOYSA-N 1 0 375.432 2.818 50 0 GFAARO O=C(C[NH2+]Cc1cccnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000095351430 136177968 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CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000021890201 136203378 /nfs/dbraw/zinc/20/33/78/136203378.db2.gz RYYQKJLIYYDRTB-UHFFFAOYSA-N 1 0 387.505 2.832 50 0 GFAARO O=C(NCc1cccc(Cn2cncn2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057174846 222029690 /nfs/dbraw/zinc/02/96/90/222029690.db2.gz JCTZQMPIPOTWFS-NRFANRHFSA-N 1 0 375.476 2.607 50 0 GFAARO COc1cc(NC(=O)C[NH2+]C(C)(C)C)c(C(=O)N2CCCCC2)cc1OC ZINC000058158366 222041661 /nfs/dbraw/zinc/04/16/61/222041661.db2.gz XBKUUQICKGRFRF-UHFFFAOYSA-N 1 0 377.485 2.657 50 0 GFAARO CCN1C[C@H](C[NH2+]Cc2cnc(Nc3ccc4nccnc4c3)s2)CC1=O ZINC000063869319 222069187 /nfs/dbraw/zinc/06/91/87/222069187.db2.gz JGHKKNSGRBAJLN-ZDUSSCGKSA-N 1 0 382.493 2.788 50 0 GFAARO Cc1cc(N2CCCCCC2)n2nc(CN3CC[NH+](CC(C)C)CC3)nc2n1 ZINC000065311670 222121814 /nfs/dbraw/zinc/12/18/14/222121814.db2.gz URLZXXYJOQCMMM-UHFFFAOYSA-N 1 0 385.560 2.587 50 0 GFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000065329713 222123093 /nfs/dbraw/zinc/12/30/93/222123093.db2.gz LZGJXEJYBDPGRE-OAHLLOKOSA-N 1 0 388.512 2.806 50 0 GFAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2coc(COc3cccc4cccnc43)n2)C1 ZINC000067473143 222146955 /nfs/dbraw/zinc/14/69/55/222146955.db2.gz WCEDCRBYRRSJAK-NRFANRHFSA-N 1 0 380.448 2.873 50 0 GFAARO C[NH2+][C@@H](C)C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067458616 222147224 /nfs/dbraw/zinc/14/72/24/222147224.db2.gz VWXQKDBOWMHELS-LBPRGKRZSA-N 1 0 383.473 2.998 50 0 GFAARO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000067604386 222149692 /nfs/dbraw/zinc/14/96/92/222149692.db2.gz OMCVLFXFIXIAKX-UHFFFAOYSA-N 1 0 379.508 2.964 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)CCC(C)(C)O)C2=O)cc1 ZINC000067675543 222153505 /nfs/dbraw/zinc/15/35/05/222153505.db2.gz QBXVJHMFZRSDBP-QFIPXVFZSA-N 1 0 376.541 2.756 50 0 GFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(CN3CCc4ccccc4C3)on2)C1 ZINC000067695112 222155775 /nfs/dbraw/zinc/15/57/75/222155775.db2.gz ICHPXAIXIACACH-LJQANCHMSA-N 1 0 382.508 2.789 50 0 GFAARO O=C1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CCN1Cc1ccccc1 ZINC000067695279 222156229 /nfs/dbraw/zinc/15/62/29/222156229.db2.gz JEJCMUSCDNZOGO-FQEVSTJZSA-N 1 0 375.476 2.938 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(CN(C)CC[NH+]3CCCC3)C2=O)cc1 ZINC000067713608 222156507 /nfs/dbraw/zinc/15/65/07/222156507.db2.gz RWAAAFDHJXSTIC-QHCPKHFHSA-N 1 0 387.568 2.691 50 0 GFAARO CN1CC[N@H+](CCOCc2ccccc2)CC12CCN(C(=O)c1ccco1)CC2 ZINC000067739949 222158377 /nfs/dbraw/zinc/15/83/77/222158377.db2.gz CYABFFXTHSHTNO-UHFFFAOYSA-N 1 0 397.519 2.719 50 0 GFAARO CCC[N@@H+]1CCCN(C(=O)c2cc(CN3CCc4ccccc4C3)on2)CC1 ZINC000067771022 222158682 /nfs/dbraw/zinc/15/86/82/222158682.db2.gz OSZIDVVVDNZTAP-UHFFFAOYSA-N 1 0 382.508 2.791 50 0 GFAARO O=C(CCc1ccncc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067803389 222158968 /nfs/dbraw/zinc/15/89/68/222158968.db2.gz RLTYYQWBPGZELX-JOCHJYFZSA-N 1 0 378.520 2.827 50 0 GFAARO O=C1N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067773443 222158999 /nfs/dbraw/zinc/15/89/99/222158999.db2.gz GUOKMDODIZTSKC-JOCHJYFZSA-N 1 0 378.476 2.505 50 0 GFAARO CCNC(=O)[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000067770183 222159786 /nfs/dbraw/zinc/15/97/86/222159786.db2.gz ANTNIORPDNASBI-MRXNPFEDSA-N 1 0 383.496 2.605 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCCOCC1 ZINC000071404249 222184001 /nfs/dbraw/zinc/18/40/01/222184001.db2.gz IVYWPQVLHIHMAQ-NRFANRHFSA-N 1 0 385.552 2.612 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000071615081 222185265 /nfs/dbraw/zinc/18/52/65/222185265.db2.gz LAXQJAAQGLMYGH-CQSZACIVSA-N 1 0 385.537 2.651 50 0 GFAARO COc1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479675 222186217 /nfs/dbraw/zinc/18/62/17/222186217.db2.gz MBTBRPCXXGJZBN-KRWDZBQOSA-N 1 0 389.515 2.789 50 0 GFAARO O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071736192 222187933 /nfs/dbraw/zinc/18/79/33/222187933.db2.gz HXRRIPPUOGGUJJ-HXUWFJFHSA-N 1 0 396.535 2.710 50 0 GFAARO CN(CCC[NH+](C)C)C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071715357 222188584 /nfs/dbraw/zinc/18/85/84/222188584.db2.gz GKWCYEQYQKXALS-XMMPIXPASA-N 1 0 393.531 2.944 50 0 GFAARO O=c1n(CCOc2ccc(F)cc2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000071755055 222192742 /nfs/dbraw/zinc/19/27/42/222192742.db2.gz GXAPQUHHQRBRGV-UHFFFAOYSA-N 1 0 396.466 2.778 50 0 GFAARO COc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764800 222195232 /nfs/dbraw/zinc/19/52/32/222195232.db2.gz HENSLMWPCSPDCQ-HXUWFJFHSA-N 1 0 385.552 2.994 50 0 GFAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000071823403 222200007 /nfs/dbraw/zinc/20/00/07/222200007.db2.gz JFUWFOXPLAYQLI-NTDBWNAOSA-N 1 0 389.565 2.684 50 0 GFAARO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1NS(C)(=O)=O ZINC000072289373 222220635 /nfs/dbraw/zinc/22/06/35/222220635.db2.gz GIKQCDUIBGZPNQ-HNNXBMFYSA-N 1 0 375.494 2.826 50 0 GFAARO O=C(CCc1nc2ccccc2[nH]c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072402801 222253759 /nfs/dbraw/zinc/25/37/59/222253759.db2.gz IVTNATPZZJACPG-UHFFFAOYSA-N 1 0 390.487 2.637 50 0 GFAARO Cc1ncc(C(=O)N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)c(=O)[nH]1 ZINC000072426244 222259116 /nfs/dbraw/zinc/25/91/16/222259116.db2.gz FHNAJDGMFWOASV-JOCHJYFZSA-N 1 0 380.492 2.597 50 0 GFAARO C[NH+](C)CCn1c2cc(NC(=O)c3ccc4c(n3)CCCC4)ccc2oc1=O ZINC000089319374 222327180 /nfs/dbraw/zinc/32/71/80/222327180.db2.gz IIYBVWACURNDNB-UHFFFAOYSA-N 1 0 380.448 2.682 50 0 GFAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)Cn1ccccc1=O ZINC000095499794 222333579 /nfs/dbraw/zinc/33/35/79/222333579.db2.gz HBILXDXWMNUBOZ-UHFFFAOYSA-N 1 0 395.547 2.960 50 0 GFAARO CNc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095501817 222333939 /nfs/dbraw/zinc/33/39/39/222333939.db2.gz HFVWKPNQKNCEJD-KRWDZBQOSA-N 1 0 385.487 2.684 50 0 GFAARO C[NH+](C)CCN1CCN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)CC1 ZINC000095498960 222334508 /nfs/dbraw/zinc/33/45/08/222334508.db2.gz CJYSDKGPZGEFIB-RMKNXTFCSA-N 1 0 379.508 2.963 50 0 GFAARO COC(=O)c1cccc(NC(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000095511068 222341668 /nfs/dbraw/zinc/34/16/68/222341668.db2.gz TYJPLGDFQCEOOO-GASCZTMLSA-N 1 0 375.469 2.579 50 0 GFAARO Cc1cc(C)n(-c2ccc(C(=O)N3CCC(O)(C[NH+]4CCCC4)CC3)cc2)n1 ZINC000077535996 222284835 /nfs/dbraw/zinc/28/48/35/222284835.db2.gz LOXHQEHYMGHYQE-UHFFFAOYSA-N 1 0 382.508 2.552 50 0 GFAARO CC[NH+](CC)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 ZINC000078878194 222298103 /nfs/dbraw/zinc/29/81/03/222298103.db2.gz YYXWNTUFOMBUQS-QGZVFWFLSA-N 1 0 392.525 2.954 50 0 GFAARO CCC[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nc(COC)cc(=O)[nH]3)cc2)C1 ZINC000082039443 222307139 /nfs/dbraw/zinc/30/71/39/222307139.db2.gz UFQQSTYOCDPKOK-QFIPXVFZSA-N 1 0 385.508 2.958 50 0 GFAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000082126403 222309969 /nfs/dbraw/zinc/30/99/69/222309969.db2.gz DNBKSAYWSVCSNW-QGZVFWFLSA-N 1 0 377.448 2.580 50 0 GFAARO C[C@H](C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082120209 222310275 /nfs/dbraw/zinc/31/02/75/222310275.db2.gz KHYNLXUFNCYRHH-OAHLLOKOSA-N 1 0 381.467 2.776 50 0 GFAARO CC1(C)CN(Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CCO1 ZINC000095527230 222351490 /nfs/dbraw/zinc/35/14/90/222351490.db2.gz WXUCGOHJTNHZFE-FQEVSTJZSA-N 1 0 376.541 2.913 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(-c3ncc[nH]3)c1)CC2 ZINC000095529374 222352775 /nfs/dbraw/zinc/35/27/75/222352775.db2.gz GBSJNCWHHJNODB-UHFFFAOYSA-N 1 0 390.491 2.809 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc(O)cc2)C1 ZINC000095530019 222352795 /nfs/dbraw/zinc/35/27/95/222352795.db2.gz XFLXKKINQLRGDJ-IBGZPJMESA-N 1 0 384.524 2.879 50 0 GFAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](CCn2cnnc2)CC1 ZINC000095530738 222353487 /nfs/dbraw/zinc/35/34/87/222353487.db2.gz QMDHGDKUDUBILQ-UHFFFAOYSA-N 1 0 382.493 2.752 50 0 GFAARO CN(C)C(=O)CN(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530410 222353617 /nfs/dbraw/zinc/35/36/17/222353617.db2.gz GZAOJJSVSHCKFQ-QGZVFWFLSA-N 1 0 385.474 2.980 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)oc2C)C[N@@H+]1C1CCCC1 ZINC000096153224 222392128 /nfs/dbraw/zinc/39/21/28/222392128.db2.gz FWKSBHPDKPHGOG-APWZRJJASA-N 1 0 375.513 2.880 50 0 GFAARO Cn1ccc(NC(=O)CN2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096166850 222394423 /nfs/dbraw/zinc/39/44/23/222394423.db2.gz QMQSOYRYGZUIJA-LJQANCHMSA-N 1 0 381.524 2.560 50 0 GFAARO O=C(CN1CCCCCC1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095519996 222345845 /nfs/dbraw/zinc/34/58/45/222345845.db2.gz LPPZLZWNYZCVOT-WWPVKYPJSA-N 1 0 399.510 2.617 50 0 GFAARO Cc1nn(C)c(C)c1CN(C(=O)C1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC000097532641 222445733 /nfs/dbraw/zinc/44/57/33/222445733.db2.gz OURXFCUIHHECBR-UHFFFAOYSA-N 1 0 376.545 2.665 50 0 GFAARO O=C(CC[N@@H+]1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O)NC1CC1 ZINC000426668506 534412300 /nfs/dbraw/zinc/41/23/00/534412300.db2.gz XBZNEBIAYBVIMA-QFIPXVFZSA-N 1 0 375.557 2.940 50 0 GFAARO [NH3+]C[C@H]1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 ZINC000092099207 534691715 /nfs/dbraw/zinc/69/17/15/534691715.db2.gz JJYLIPZSEGSUIC-SNVBAGLBSA-N 1 0 381.263 2.501 50 0 GFAARO CC(C)C(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426392636 527485621 /nfs/dbraw/zinc/48/56/21/527485621.db2.gz ATRLCTSMNPRRQC-HSZRJFAPSA-N 1 0 385.552 2.706 50 0 GFAARO CC(C)c1noc([C@H](C)NC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000426677766 528510345 /nfs/dbraw/zinc/51/03/45/528510345.db2.gz AZFQHHDZYRSHSI-HNNXBMFYSA-N 1 0 383.496 2.749 50 0 GFAARO CCc1c(C)nc(C)nc1N1CCC2(CCC(=O)N(CCC[NH+](C)C)C2)CC1 ZINC000091829257 536070410 /nfs/dbraw/zinc/07/04/10/536070410.db2.gz XZDPTROSMISBQM-UHFFFAOYSA-N 1 0 387.572 2.817 50 0 GFAARO O=C1C[C@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000019771139 551114558 /nfs/dbraw/zinc/11/45/58/551114558.db2.gz XIFNHAZJYIVXCK-AWEZNQCLSA-N 1 0 398.244 2.845 50 0 GFAARO Cc1ccsc1C[N@@H+](C)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032751511 551131877 /nfs/dbraw/zinc/13/18/77/551131877.db2.gz UCOHUDVRPQDNPZ-UHFFFAOYSA-N 1 0 380.535 2.709 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)C1 ZINC000179015890 552182180 /nfs/dbraw/zinc/18/21/80/552182180.db2.gz VKQWVTRSMTUWKH-CQSZACIVSA-N 1 0 391.313 2.933 50 0 GFAARO OC[C@]1([C@H]([NH2+]Cc2ncc(Cl)cc2Br)C2CC2)CCCO1 ZINC000529580540 564843260 /nfs/dbraw/zinc/84/32/60/564843260.db2.gz MMFGELVXFDKIKD-CABCVRRESA-N 1 0 375.694 2.907 50 0 GFAARO O=C(CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000655704526 566082507 /nfs/dbraw/zinc/08/25/07/566082507.db2.gz DYCQDTKVXBFYMR-QGZVFWFLSA-N 1 0 396.329 2.621 50 0 GFAARO COc1ccc(N2C(=O)C[C@@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019782439 570218624 /nfs/dbraw/zinc/21/86/24/570218624.db2.gz URNKVWVDUBLFNJ-OAQYLSRUSA-N 1 0 393.487 2.581 50 0 GFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-n2cncn2)nc1 ZINC000048132825 570219041 /nfs/dbraw/zinc/21/90/41/570219041.db2.gz FBUBDVPYSZABJK-HNNXBMFYSA-N 1 0 383.481 2.682 50 0 GFAARO C[NH+](C)C[C@H](CNC(=O)Nc1cccc(-c2nnco2)c1)[C@@H](O)c1ccccc1 ZINC000044084921 570236045 /nfs/dbraw/zinc/23/60/45/570236045.db2.gz JFLYJMAZPCBUTN-HKUYNNGSSA-N 1 0 395.463 2.770 50 0 GFAARO CC(C)CN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1=O ZINC000048325166 570236143 /nfs/dbraw/zinc/23/61/43/570236143.db2.gz SCECUTRLOFZYDQ-KRWDZBQOSA-N 1 0 391.943 2.925 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)[NH+]1CCCC1 ZINC000048313937 570236966 /nfs/dbraw/zinc/23/69/66/570236966.db2.gz AVAVAQHMHYSUSR-FQEVSTJZSA-N 1 0 399.535 2.597 50 0 GFAARO CCn1nccc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC=C(C)C ZINC000097480270 570244972 /nfs/dbraw/zinc/24/49/72/570244972.db2.gz QHHQRGUSWLSKNG-UHFFFAOYSA-N 1 0 382.512 2.582 50 0 GFAARO COc1ccc(-c2n[nH]cc2CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000020271569 570251190 /nfs/dbraw/zinc/25/11/90/570251190.db2.gz PJXFCYWFAANCCZ-FQEVSTJZSA-N 1 0 384.524 2.897 50 0 GFAARO Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4cc(C[NH3+])nn4)C3)o2)c1 ZINC000020599694 570269550 /nfs/dbraw/zinc/26/95/50/570269550.db2.gz WZAPNLGZRVESFI-INIZCTEOSA-N 1 0 379.464 2.858 50 0 GFAARO O[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCOCC1 ZINC000020601093 570269967 /nfs/dbraw/zinc/26/99/67/570269967.db2.gz QDDXMHSJPNJRGA-DHIUTWEWSA-N 1 0 382.504 2.533 50 0 GFAARO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)N1CCC(Cn2ccnc2)CC1 ZINC000584902994 570270385 /nfs/dbraw/zinc/27/03/85/570270385.db2.gz UPXNWHIDTZWDJS-IBGZPJMESA-N 1 0 399.514 2.966 50 0 GFAARO O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000002183640 570277776 /nfs/dbraw/zinc/27/77/76/570277776.db2.gz OSRQWBNXNBEOSR-IBGZPJMESA-N 1 0 388.487 2.545 50 0 GFAARO CCOC(=O)CCCC(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000002515760 570289147 /nfs/dbraw/zinc/28/91/47/570289147.db2.gz ZSFMJMLERBHNDR-UHFFFAOYSA-N 1 0 375.465 2.942 50 0 GFAARO C[NH+]1C(C)(C)CC(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1(C)C ZINC000000709248 570297069 /nfs/dbraw/zinc/29/70/69/570297069.db2.gz NECYUGMMKOYRHD-XOBRGWDASA-N 1 0 384.586 2.953 50 0 GFAARO CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCCCCC1)c1cccc(OC)c1 ZINC000023434463 570323677 /nfs/dbraw/zinc/32/36/77/570323677.db2.gz IJQFNHBOBYCLOI-LJQANCHMSA-N 1 0 383.558 2.789 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000022793347 570328152 /nfs/dbraw/zinc/32/81/52/570328152.db2.gz FBSFGYUFBHPDHW-HNNXBMFYSA-N 1 0 386.521 2.526 50 0 GFAARO Cc1c(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)nnn1C1CC[NH2+]CC1 ZINC000237121221 570329494 /nfs/dbraw/zinc/32/94/94/570329494.db2.gz GVSBHDHYAHLDCO-UHFFFAOYSA-N 1 0 397.401 2.682 50 0 GFAARO OCC[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000022932707 570337581 /nfs/dbraw/zinc/33/75/81/570337581.db2.gz YSKAMAVCVYBNCF-QHCPKHFHSA-N 1 0 376.504 2.941 50 0 GFAARO CNC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237221818 570339117 /nfs/dbraw/zinc/33/91/17/570339117.db2.gz IEZQXHZATSCFFZ-IRXDYDNUSA-N 1 0 395.503 2.585 50 0 GFAARO CC[NH+](CC)CCCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035372300 570345088 /nfs/dbraw/zinc/34/50/88/570345088.db2.gz KVYSMYGNUYVLPC-UHFFFAOYSA-N 1 0 397.523 2.517 50 0 GFAARO CC[C@H]([NH3+])C(=O)N1CCc2c(cnc(C)c2-c2noc(CCC(F)(F)F)n2)C1 ZINC000023338311 570355025 /nfs/dbraw/zinc/35/50/25/570355025.db2.gz ZVWHZTUHERGLLK-ZDUSSCGKSA-N 1 0 397.401 2.557 50 0 GFAARO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000023358402 570356331 /nfs/dbraw/zinc/35/63/31/570356331.db2.gz HGRKTTWNGMFETB-QFIPXVFZSA-N 1 0 382.504 2.850 50 0 GFAARO Cc1ccccc1N1CCCN(c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000219501301 570364501 /nfs/dbraw/zinc/36/45/01/570364501.db2.gz UAWVZFNQUQXTHJ-UHFFFAOYSA-N 1 0 380.540 2.772 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000024139871 570379669 /nfs/dbraw/zinc/37/96/69/570379669.db2.gz KQBFUWGQYQCGHT-LJQANCHMSA-N 1 0 383.492 2.786 50 0 GFAARO Cc1cc2cc(C(=O)N3CCCn4nc([C@H](O)C[NH+](C)C)cc4C3)ccc2o1 ZINC000221408895 570394920 /nfs/dbraw/zinc/39/49/20/570394920.db2.gz URNBCLXLUJVYLE-LJQANCHMSA-N 1 0 382.464 2.579 50 0 GFAARO C[C@@H](Oc1ccccc1)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000248033726 570435741 /nfs/dbraw/zinc/43/57/41/570435741.db2.gz LYAIMTZLIIWMKL-KNQAVFIVSA-N 1 0 381.520 2.949 50 0 GFAARO COc1c2c(cc3c1[C@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000100755113 570440993 /nfs/dbraw/zinc/44/09/93/570440993.db2.gz TWOLFEWIKVSGFO-HRCADAONSA-N 1 0 377.481 2.909 50 0 GFAARO COc1ccccc1O[C@@H](C)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027742211 570441169 /nfs/dbraw/zinc/44/11/69/570441169.db2.gz JYXJNWVEBZRYKU-SFHVURJKSA-N 1 0 389.540 2.529 50 0 GFAARO CS[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000252487245 570475071 /nfs/dbraw/zinc/47/50/71/570475071.db2.gz UWLKEOOALBEPSH-UTRMSSBJSA-N 1 0 387.549 2.933 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030362720 570488604 /nfs/dbraw/zinc/48/86/04/570488604.db2.gz AJHPGJQBQFVESL-NRFANRHFSA-N 1 0 397.494 2.755 50 0 GFAARO COCCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036100188 570537970 /nfs/dbraw/zinc/53/79/70/570537970.db2.gz LUYVNVIBERKUPI-IBGZPJMESA-N 1 0 389.492 2.982 50 0 GFAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022765431 570543338 /nfs/dbraw/zinc/54/33/38/570543338.db2.gz GFCWKLMVXCVOTA-SFHVURJKSA-N 1 0 393.940 2.885 50 0 GFAARO Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000032976366 570570140 /nfs/dbraw/zinc/57/01/40/570570140.db2.gz VDKVWBRWNNIMIU-GOSISDBHSA-N 1 0 394.519 2.812 50 0 GFAARO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2C)c(OC)c1OC ZINC000006790333 570595920 /nfs/dbraw/zinc/59/59/20/570595920.db2.gz PHPUALBOJDFDPX-KRWDZBQOSA-N 1 0 375.465 2.893 50 0 GFAARO O=C(CN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012056835 570602487 /nfs/dbraw/zinc/60/24/87/570602487.db2.gz CLZXYXSQXHZBTE-QFIPXVFZSA-N 1 0 375.557 2.894 50 0 GFAARO CC(C)C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721198 570605925 /nfs/dbraw/zinc/60/59/25/570605925.db2.gz KRBXNULJNARLMZ-OAQYLSRUSA-N 1 0 383.492 2.735 50 0 GFAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)s1 ZINC000033022609 570648647 /nfs/dbraw/zinc/64/86/47/570648647.db2.gz SKZDYWQOGUVQGC-UHFFFAOYSA-N 1 0 387.509 2.705 50 0 GFAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1)c1ccccc1 ZINC000045966738 570649918 /nfs/dbraw/zinc/64/99/18/570649918.db2.gz WUDUKBNBTOTGNB-GOSISDBHSA-N 1 0 397.494 2.894 50 0 GFAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229688397 570666113 /nfs/dbraw/zinc/66/61/13/570666113.db2.gz IWNPOKCRHAQPAA-KYNGSXCRSA-N 1 0 378.467 2.717 50 0 GFAARO C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000229757587 570666838 /nfs/dbraw/zinc/66/68/38/570666838.db2.gz YOKOGEWFEQKVJU-NYUBLWNDSA-N 1 0 385.552 2.943 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C[NH+](C)C ZINC000012470678 570672825 /nfs/dbraw/zinc/67/28/25/570672825.db2.gz MYXCJQZYVYHFAT-SFHVURJKSA-N 1 0 381.524 2.804 50 0 GFAARO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(N(C)C)c3ccccc3n2)C[C@@H](C)O1 ZINC000241657590 570687476 /nfs/dbraw/zinc/68/74/76/570687476.db2.gz PXNHVQLROSGRQR-IAGOWNOFSA-N 1 0 384.524 2.920 50 0 GFAARO C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1 ZINC000003816310 570701022 /nfs/dbraw/zinc/70/10/22/570701022.db2.gz PIQCTGMSNWUMAF-UHFFFAOYSA-N 1 0 392.438 2.545 50 0 investigational GFAARO O=C(c1cnc([C@H]2CCCO2)s1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180304563 570718708 /nfs/dbraw/zinc/71/87/08/570718708.db2.gz SOMLOAHCYRLVBA-QGZVFWFLSA-N 1 0 393.553 2.959 50 0 GFAARO O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000252572250 570730120 /nfs/dbraw/zinc/73/01/20/570730120.db2.gz ZAXWSTXOOSFYJG-WDYCEAGBSA-N 1 0 378.538 2.567 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1 ZINC000065292358 570785784 /nfs/dbraw/zinc/78/57/84/570785784.db2.gz UTJZEBODPHYLJS-MRXNPFEDSA-N 1 0 395.507 2.519 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc2[nH]c3ccccc3n21)c1ccccc1 ZINC000005893496 570801478 /nfs/dbraw/zinc/80/14/78/570801478.db2.gz RTYDLVPMTVYVKR-KRWDZBQOSA-N 1 0 394.504 2.722 50 0 GFAARO CC1CC[NH+](Cc2cc(=O)n3nc(NCc4ccccc4Cl)[nH]c3n2)CC1 ZINC000101796150 570834416 /nfs/dbraw/zinc/83/44/16/570834416.db2.gz KIYWHCKDZSBVER-UHFFFAOYSA-N 1 0 386.887 2.915 50 0 GFAARO COc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Cl ZINC000004525828 570843028 /nfs/dbraw/zinc/84/30/28/570843028.db2.gz RFOZCTLWLJEROV-UHFFFAOYSA-N 1 0 397.903 2.721 50 0 GFAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCCOC ZINC000014536363 570848672 /nfs/dbraw/zinc/84/86/72/570848672.db2.gz JUSJPSLSIYQKKE-QGZVFWFLSA-N 1 0 388.512 2.515 50 0 GFAARO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000170597488 570855619 /nfs/dbraw/zinc/85/56/19/570855619.db2.gz LZPJLKCYEQJYAO-HNNXBMFYSA-N 1 0 380.452 2.629 50 0 GFAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccnc4)CC3)C2=O)cc1 ZINC000014732240 570857514 /nfs/dbraw/zinc/85/75/14/570857514.db2.gz MRDCHLSFTVQUHM-UHFFFAOYSA-N 1 0 394.475 2.519 50 0 GFAARO CC(C)(C)OC(=O)NC[C@@H]1CN(CCCc2nc3ccccc3o2)CCO1 ZINC000170599751 570857909 /nfs/dbraw/zinc/85/79/09/570857909.db2.gz TWBGMOCTQATWSV-OAHLLOKOSA-N 1 0 375.469 2.986 50 0 GFAARO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000170600284 570858341 /nfs/dbraw/zinc/85/83/41/570858341.db2.gz PZYWCRGXMSPFJE-PVAVHDDUSA-N 1 0 397.441 2.709 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)cc1OC ZINC000072147071 570871969 /nfs/dbraw/zinc/87/19/69/570871969.db2.gz PVVMTZQWKBEZRW-QGZVFWFLSA-N 1 0 399.491 2.584 50 0 GFAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2ccc3c(c2)CCCO3)[nH]1 ZINC000072149061 570872608 /nfs/dbraw/zinc/87/26/08/570872608.db2.gz QMGZIVPZJIFOIW-ROUUACIJSA-N 1 0 382.508 2.567 50 0 GFAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32C(=O)Nc3ccccc32)cc1 ZINC000170621908 570877330 /nfs/dbraw/zinc/87/73/30/570877330.db2.gz GDTICDSXSBRLJS-KEXUJGGDSA-N 1 0 389.455 2.576 50 0 GFAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CC2CCC2)CC1 ZINC000299799435 570897571 /nfs/dbraw/zinc/89/75/71/570897571.db2.gz SFSAZOCCGFLGBS-HXUWFJFHSA-N 1 0 376.472 2.696 50 0 GFAARO COc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127679 570912766 /nfs/dbraw/zinc/91/27/66/570912766.db2.gz HKVANNJOCFYZGN-UHFFFAOYSA-N 1 0 378.494 2.787 50 0 GFAARO NS(=O)(=O)c1ccc(OCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089866582 570917592 /nfs/dbraw/zinc/91/75/92/570917592.db2.gz HPSLIEIPINTUOX-UHFFFAOYSA-N 1 0 397.500 2.983 50 0 GFAARO C[C@@H](c1ccccn1)[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 ZINC000089909898 570919221 /nfs/dbraw/zinc/91/92/21/570919221.db2.gz MLBMTEAQMATJIC-INIZCTEOSA-N 1 0 389.521 2.936 50 0 GFAARO Cn1nc2nc(NCC[NH+](C)C)nc(-c3ccc(C(F)(F)F)cc3)c2c1N ZINC000037359244 570932316 /nfs/dbraw/zinc/93/23/16/570932316.db2.gz HQPRXXGEAVLDTD-UHFFFAOYSA-N 1 0 379.390 2.605 50 0 GFAARO Cc1csc2nc(CN3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)cc(=O)n12 ZINC000047261111 570950580 /nfs/dbraw/zinc/95/05/80/570950580.db2.gz WGSCQLWCIVDFBS-OAHLLOKOSA-N 1 0 397.504 2.619 50 0 GFAARO Cc1cc(NC(=O)c2ccc(-n3ccnn3)cc2)cc(N2CC[NH+](C)CC2)c1 ZINC000252491743 570973856 /nfs/dbraw/zinc/97/38/56/570973856.db2.gz LRTKWOGYAHFAIS-UHFFFAOYSA-N 1 0 376.464 2.580 50 0 GFAARO CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@H](C)C[NH+](C)C ZINC000252497268 570975755 /nfs/dbraw/zinc/97/57/55/570975755.db2.gz QCSGVAVOJMNAFU-QGZVFWFLSA-N 1 0 377.529 2.864 50 0 GFAARO CCc1noc(-c2ccc(CCNC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2)n1 ZINC000252496674 570976179 /nfs/dbraw/zinc/97/61/79/570976179.db2.gz POKITAYZCMLYMQ-UHFFFAOYSA-N 1 0 390.487 2.960 50 0 GFAARO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc21 ZINC000019372180 570981142 /nfs/dbraw/zinc/98/11/42/570981142.db2.gz MXQRCYFAJZRXRA-FQEVSTJZSA-N 1 0 379.460 2.748 50 0 GFAARO CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000108393308 570988324 /nfs/dbraw/zinc/98/83/24/570988324.db2.gz YNNAZNGYQSVJDW-NSISKUIASA-N 1 0 378.513 2.799 50 0 GFAARO [NH3+][C@@H](C(=O)N1CCC(NC(=O)c2ccccc2F)CC1)c1cccc(Cl)c1 ZINC000170677421 571009083 /nfs/dbraw/zinc/00/90/83/571009083.db2.gz YUQWMKDEJXXADM-GOSISDBHSA-N 1 0 389.858 2.900 50 0 GFAARO Cn1c(CC2CC[NH2+]CC2)nnc1SCc1cnn(-c2ccccc2F)c1 ZINC000091574134 571014912 /nfs/dbraw/zinc/01/49/12/571014912.db2.gz ZCXPCPUNQGAMER-UHFFFAOYSA-N 1 0 386.500 2.974 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000091713534 571027503 /nfs/dbraw/zinc/02/75/03/571027503.db2.gz QLYMVCZFOYPABE-QHCPKHFHSA-N 1 0 385.552 2.994 50 0 GFAARO Cc1noc(C)c1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358547 571053598 /nfs/dbraw/zinc/05/35/98/571053598.db2.gz SVHYAFKWSWUWNK-ZLGUVYLKSA-N 1 0 395.459 2.723 50 0 GFAARO OCc1csc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095363773 571057116 /nfs/dbraw/zinc/05/71/16/571057116.db2.gz NCXIZWJAMALGGE-KZNAEPCWSA-N 1 0 377.460 2.980 50 0 GFAARO Cc1ccc2nc(C(=O)N3CCC[C@H](c4nccn4CCC[NH+](C)C)C3)cn2c1 ZINC000095372068 571061690 /nfs/dbraw/zinc/06/16/90/571061690.db2.gz IZLUJJCAGHGGTD-SFHVURJKSA-N 1 0 394.523 2.811 50 0 GFAARO Cc1cnc(C)c(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095374494 571063217 /nfs/dbraw/zinc/06/32/17/571063217.db2.gz IRRRUZBAAQESIQ-IOMROCGXSA-N 1 0 378.476 2.889 50 0 GFAARO Cn1c(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cc2ccccc21 ZINC000095376139 571064818 /nfs/dbraw/zinc/06/48/18/571064818.db2.gz MSVVGDNKOQZCLW-SFHVURJKSA-N 1 0 379.508 2.956 50 0 GFAARO CCc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000095378612 571065559 /nfs/dbraw/zinc/06/55/59/571065559.db2.gz MXPYHWDXKKPQHP-DLBZAZTESA-N 1 0 385.537 2.582 50 0 GFAARO CSCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000095380663 571067211 /nfs/dbraw/zinc/06/72/11/571067211.db2.gz BOXKMEJLRBWMIY-MAUKXSAKSA-N 1 0 384.549 2.996 50 0 GFAARO O=C(c1cnc(-c2ccncc2)nc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095388193 571071151 /nfs/dbraw/zinc/07/11/51/571071151.db2.gz RIAIDWMTYISWNE-YLJYHZDGSA-N 1 0 377.492 2.875 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C)o3)cc2)C[C@@H]1CO ZINC000095390653 571072696 /nfs/dbraw/zinc/07/26/96/571072696.db2.gz XNJJVWDTSORIRZ-WOJBJXKFSA-N 1 0 386.492 2.514 50 0 GFAARO COc1ccc(C(=O)NC[C@H]2CCOC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095509443 571080709 /nfs/dbraw/zinc/08/07/09/571080709.db2.gz WXSIDBKTBWNGBI-MRXNPFEDSA-N 1 0 376.497 2.713 50 0 GFAARO O=C(c1cc(Br)ccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002789657 654437988 /nfs/dbraw/zinc/43/79/88/654437988.db2.gz QRYYYEGQDVYDTC-NSHDSACASA-N 1 0 375.213 2.971 50 0 GFAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1Cl ZINC000019338499 654524375 /nfs/dbraw/zinc/52/43/75/654524375.db2.gz PJYWIAMFZDOOLW-INIZCTEOSA-N 1 0 387.977 2.685 50 0 GFAARO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2s1 ZINC000952975811 665011448 /nfs/dbraw/zinc/01/14/48/665011448.db2.gz XKRWOHAHKBDIOJ-UHFFFAOYSA-N 1 0 381.523 2.641 50 0 GFAARO Cc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095363509 230978592 /nfs/dbraw/zinc/97/85/92/230978592.db2.gz OWQNCUZQOVYFPU-VLCRHTCISA-N 1 0 391.471 2.821 50 0 GFAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000426374408 231209915 /nfs/dbraw/zinc/20/99/15/231209915.db2.gz QSROMEHQZYYCSI-GOSISDBHSA-N 1 0 375.561 2.532 50 0 GFAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCC(n2cnnc2)CC1 ZINC000426662516 231250982 /nfs/dbraw/zinc/25/09/82/231250982.db2.gz VLWYEQLKYOGXEA-FQEVSTJZSA-N 1 0 382.512 2.852 50 0 GFAARO C[C@@H](NC(=O)N1CC[NH+](CC2CCCC2)CC1)c1nc(-c2cccnc2)no1 ZINC000426685243 231251507 /nfs/dbraw/zinc/25/15/07/231251507.db2.gz FAKLFGJKSXLRRU-OAHLLOKOSA-N 1 0 384.484 2.710 50 0 GFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000426701696 231253778 /nfs/dbraw/zinc/25/37/78/231253778.db2.gz UJGREKQDLYACEC-SFHVURJKSA-N 1 0 379.464 2.695 50 0 GFAARO CN1CC[NH+](CC2CCN(C(=O)NCCc3ccccc3Cl)CC2)CC1 ZINC000192162680 530071717 /nfs/dbraw/zinc/07/17/17/530071717.db2.gz PDOXLSRXBLBIRE-UHFFFAOYSA-N 1 0 378.948 2.552 50 0 GFAARO O=C(CCc1ccccc1)N1CCC(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000252482652 222731400 /nfs/dbraw/zinc/73/14/00/222731400.db2.gz DLQNUEBSJJBUKY-UHFFFAOYSA-N 1 0 397.563 2.850 50 0 GFAARO CCOC(=O)C1=C(NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N(C(C)(C)C)C1 ZINC000001039911 212208630 /nfs/dbraw/zinc/20/86/30/212208630.db2.gz ZAFPMOPWDBVFBZ-UHFFFAOYSA-N 1 0 399.535 2.699 50 0 GFAARO CCOc1ccc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1OC ZINC000000819321 212185798 /nfs/dbraw/zinc/18/57/98/212185798.db2.gz ZCMVXXHRJURGKI-GOSISDBHSA-N 1 0 376.497 2.601 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304287 220856322 /nfs/dbraw/zinc/85/63/22/220856322.db2.gz UKNHNZCIUYFXBR-UHFFFAOYSA-N 1 0 392.503 2.907 50 0 GFAARO O=C(CNC(=O)c1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012009 221023870 /nfs/dbraw/zinc/02/38/70/221023870.db2.gz MMGRMFHPYXXQID-UHFFFAOYSA-N 1 0 385.895 2.982 50 0 GFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009502525 221083223 /nfs/dbraw/zinc/08/32/23/221083223.db2.gz CIUIXYFZMUAHBL-KRWDZBQOSA-N 1 0 385.464 2.678 50 0 GFAARO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC2)cc1 ZINC000008984286 221067102 /nfs/dbraw/zinc/06/71/02/221067102.db2.gz YOVSXVXGWQNCDX-UHFFFAOYSA-N 1 0 390.487 2.590 50 0 GFAARO CC1(C)CC(NC(=O)CCCNc2nc(Cl)nc3nc[nH]c32)CC(C)(C)[NH2+]1 ZINC000008992520 221067832 /nfs/dbraw/zinc/06/78/32/221067832.db2.gz GPROGLFQJZYHTA-UHFFFAOYSA-N 1 0 393.923 2.624 50 0 GFAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN(C)Cc2ccccn2)cc1OC ZINC000011820900 221129314 /nfs/dbraw/zinc/12/93/14/221129314.db2.gz LZJLWZPTOGUBLL-FQEVSTJZSA-N 1 0 387.524 2.804 50 0 GFAARO CN(CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000011838903 221130993 /nfs/dbraw/zinc/13/09/93/221130993.db2.gz YKIPVAABMURFTJ-UHFFFAOYSA-N 1 0 378.904 2.858 50 0 GFAARO COc1cccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)c1 ZINC000011898785 221134278 /nfs/dbraw/zinc/13/42/78/221134278.db2.gz NRHNZRGLZOABST-HXUWFJFHSA-N 1 0 398.507 2.706 50 0 GFAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000011027224 221110379 /nfs/dbraw/zinc/11/03/79/221110379.db2.gz VFOSGLKZHFVPSS-GKHXVQBSSA-N 1 0 379.541 2.855 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000011668060 221120348 /nfs/dbraw/zinc/12/03/48/221120348.db2.gz YWQTYQYWZPJTFH-UHFFFAOYSA-N 1 0 399.491 2.510 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCNC(C)=O)c(OC)c1 ZINC000011664811 221120590 /nfs/dbraw/zinc/12/05/90/221120590.db2.gz WUAYRCCYALLVTC-KRWDZBQOSA-N 1 0 386.496 2.975 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cn4cccn4)C3)C2)c1 ZINC000011999210 221142392 /nfs/dbraw/zinc/14/23/92/221142392.db2.gz RPJNMHHBAQGUHZ-NRFANRHFSA-N 1 0 386.471 2.546 50 0 GFAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccnc3)C2)cc1CO ZINC000012315212 221179461 /nfs/dbraw/zinc/17/94/61/221179461.db2.gz CYSWPNQVNKMCQH-SFHVURJKSA-N 1 0 383.492 2.615 50 0 GFAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)n(C)n3)nc21 ZINC000012229270 221170739 /nfs/dbraw/zinc/17/07/39/221170739.db2.gz IHHAXDBYARTUGK-UHFFFAOYSA-N 1 0 387.509 2.864 50 0 GFAARO COc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(C)nn3C)sc2c1 ZINC000012229346 221170819 /nfs/dbraw/zinc/17/08/19/221170819.db2.gz HSPRAXXBVZZCML-UHFFFAOYSA-N 1 0 387.509 2.945 50 0 GFAARO COCc1ccc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000012439754 221194993 /nfs/dbraw/zinc/19/49/93/221194993.db2.gz ZGVWMKUGOMIMGE-UHFFFAOYSA-N 1 0 389.540 2.725 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCC4=NNC(=O)CC4)C3)C2)c1 ZINC000012464561 221197955 /nfs/dbraw/zinc/19/79/55/221197955.db2.gz FGBXFKFZYIWAQW-QHCPKHFHSA-N 1 0 396.535 2.856 50 0 GFAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c(C)c2)CC1 ZINC000012535854 221202356 /nfs/dbraw/zinc/20/23/56/221202356.db2.gz DHTBOVWBTMZEQG-INIZCTEOSA-N 1 0 389.544 2.562 50 0 GFAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc(N)cc(N)[nH+]2)cs1 ZINC000012536377 221203814 /nfs/dbraw/zinc/20/38/14/221203814.db2.gz WEXACFWPVBCSME-UHFFFAOYSA-N 1 0 398.517 2.754 50 0 GFAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4cnn(C)c4C)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012387325 221187607 /nfs/dbraw/zinc/18/76/07/221187607.db2.gz FGBIZNDTFGPMLO-XJABCFGWSA-N 1 0 380.492 2.675 50 0 GFAARO C[NH+](C)CCCn1ccc2c(cnc3nc(-c4ccccc4Cl)nn32)c1=O ZINC000012409734 221190559 /nfs/dbraw/zinc/19/05/59/221190559.db2.gz JNAFRXPGUKZGCZ-UHFFFAOYSA-N 1 0 382.855 2.711 50 0 GFAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000012597760 221213097 /nfs/dbraw/zinc/21/30/97/221213097.db2.gz IGDSROCESIKNOQ-INIZCTEOSA-N 1 0 385.430 2.510 50 0 GFAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(C)C ZINC000012731837 221222725 /nfs/dbraw/zinc/22/27/25/221222725.db2.gz BAWRVRYBXDQYLH-UHFFFAOYSA-N 1 0 383.558 2.612 50 0 GFAARO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1F ZINC000012786513 221231470 /nfs/dbraw/zinc/23/14/70/221231470.db2.gz YPIXUQBCAGAFAY-IBGZPJMESA-N 1 0 394.450 2.713 50 0 GFAARO C[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)CCCC2 ZINC000012804269 221235350 /nfs/dbraw/zinc/23/53/50/221235350.db2.gz DAWRMMHVQSBSQR-HNNXBMFYSA-N 1 0 398.507 2.502 50 0 GFAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729598 221285606 /nfs/dbraw/zinc/28/56/06/221285606.db2.gz WYVPVIDXGYPNAL-INIZCTEOSA-N 1 0 383.452 2.714 50 0 GFAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3cncn3)cc2)[NH+]2CCCC2)cc1 ZINC000014050908 221296763 /nfs/dbraw/zinc/29/67/63/221296763.db2.gz ZKEIAPSGSOZPLJ-OAQYLSRUSA-N 1 0 391.475 2.843 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000014161310 221300799 /nfs/dbraw/zinc/30/07/99/221300799.db2.gz SLOKZUVKLWYSAF-LPHOPBHVSA-N 1 0 399.491 2.750 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]CCSC)C2 ZINC000014754618 221315691 /nfs/dbraw/zinc/31/56/91/221315691.db2.gz IRUFMPKDAGMYNN-HNNXBMFYSA-N 1 0 376.526 2.578 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000014743081 221316048 /nfs/dbraw/zinc/31/60/48/221316048.db2.gz FQQVOOZYXIBRNY-OAHLLOKOSA-N 1 0 390.578 2.801 50 0 GFAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCc2cccs2)C1 ZINC000014745978 221316486 /nfs/dbraw/zinc/31/64/86/221316486.db2.gz NECFLGGFEPFHJL-DLBZAZTESA-N 1 0 383.517 2.717 50 0 GFAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000015072361 221331195 /nfs/dbraw/zinc/33/11/95/221331195.db2.gz ONDHTRVEEFRDNK-HXUWFJFHSA-N 1 0 388.508 2.761 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770190 221344974 /nfs/dbraw/zinc/34/49/74/221344974.db2.gz LVTFXVUXTTZFHU-UHFFFAOYSA-N 1 0 387.553 2.900 50 0 GFAARO COc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1OC ZINC000016228196 221359616 /nfs/dbraw/zinc/35/96/16/221359616.db2.gz GHNPKQFXRKIDGL-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO Cc1ccc(OCCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000058014841 136154123 /nfs/dbraw/zinc/15/41/23/136154123.db2.gz ZSRIIPAROXTCLK-UHFFFAOYSA-N 1 0 382.508 2.536 50 0 GFAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000065216075 136160280 /nfs/dbraw/zinc/16/02/80/136160280.db2.gz CCFUZWSAIINVPE-QGZVFWFLSA-N 1 0 384.528 2.894 50 0 GFAARO Cc1cc(C)cc(N2CCN(C(=O)c3ccc([C@@H]4CC[NH2+]C4)cc3)CC2=O)c1 ZINC000072158389 136167366 /nfs/dbraw/zinc/16/73/66/136167366.db2.gz UUISWGFUISSURH-HXUWFJFHSA-N 1 0 377.488 2.869 50 0 GFAARO Cc1cc(N2CCO[C@H](C(=O)NCCc3ccncc3)C2)c2ccccc2[nH+]1 ZINC000072411273 136169664 /nfs/dbraw/zinc/16/96/64/136169664.db2.gz JPTDFGFUEXLSCP-NRFANRHFSA-N 1 0 376.460 2.502 50 0 GFAARO c1cnc(N2CCC3(CCC[N@H+]3Cc3cnc(N4CCCC4)nc3)CC2)nc1 ZINC000072426331 136170019 /nfs/dbraw/zinc/17/00/19/136170019.db2.gz HZKJPHVNKCTWDZ-UHFFFAOYSA-N 1 0 379.512 2.502 50 0 GFAARO COc1ccc2[nH]c3c(c2c1)CN(c1nc(C)nc2c1CC[N@H+](C)CC2)CC3 ZINC000072480094 136171381 /nfs/dbraw/zinc/17/13/81/136171381.db2.gz JJWCIEPDOVNZKM-UHFFFAOYSA-N 1 0 377.492 2.868 50 0 GFAARO Cc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000077134168 136171675 /nfs/dbraw/zinc/17/16/75/136171675.db2.gz IJVSURLWDCUAMR-UHFFFAOYSA-N 1 0 399.926 2.930 50 0 GFAARO Cc1ccc(-c2ccnc(N3CCC([NH2+]CCn4cccn4)CC3)n2)c(C)n1 ZINC000095522163 136181330 /nfs/dbraw/zinc/18/13/30/136181330.db2.gz DKWYIWMWIURLKV-UHFFFAOYSA-N 1 0 377.496 2.611 50 0 GFAARO CN(C)c1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn[nH+]1 ZINC000206724417 136199325 /nfs/dbraw/zinc/19/93/25/136199325.db2.gz NAGMNZNYWOJTPB-UHFFFAOYSA-N 1 0 378.839 2.689 50 0 GFAARO [NH3+]CCc1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2 ZINC000027322762 221650577 /nfs/dbraw/zinc/65/05/77/221650577.db2.gz ARAYVTCXPOFLEW-UHFFFAOYSA-N 1 0 382.265 2.882 50 0 GFAARO C[C@@H](C(=O)NCCC[NH+]1CCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944844 221754830 /nfs/dbraw/zinc/75/48/30/221754830.db2.gz LQUHGAUAAOMIKB-ZDUSSCGKSA-N 1 0 396.413 2.578 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061188 221769276 /nfs/dbraw/zinc/76/92/76/221769276.db2.gz JYRXOLVNQZZANA-CQSZACIVSA-N 1 0 387.509 2.785 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000039983557 221895534 /nfs/dbraw/zinc/89/55/34/221895534.db2.gz QKEUMOXPTNXNEH-OAHLLOKOSA-N 1 0 391.899 2.740 50 0 GFAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000055135307 222016394 /nfs/dbraw/zinc/01/63/94/222016394.db2.gz CKHCCISSJGAQGY-SFHVURJKSA-N 1 0 377.554 2.520 50 0 GFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2nn(C)c(=O)c3ccccc32)s1 ZINC000055368813 222020087 /nfs/dbraw/zinc/02/00/87/222020087.db2.gz XZCOFKDZHUKUNF-UHFFFAOYSA-N 1 0 384.505 2.507 50 0 GFAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000058032586 222037022 /nfs/dbraw/zinc/03/70/22/222037022.db2.gz SOOWWBZVXIWRJL-UHFFFAOYSA-N 1 0 384.871 2.520 50 0 GFAARO Cc1cccc(OCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000058312144 222048652 /nfs/dbraw/zinc/04/86/52/222048652.db2.gz KONAANJGXRCYNW-GOSISDBHSA-N 1 0 381.476 2.710 50 0 GFAARO CN1CC[NH+](CCCCNC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000058391697 222050832 /nfs/dbraw/zinc/05/08/32/222050832.db2.gz WRVRZOKHIWKINB-UHFFFAOYSA-N 1 0 393.329 2.688 50 0 GFAARO CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000063882619 222069745 /nfs/dbraw/zinc/06/97/45/222069745.db2.gz POSHWZKVSQUQRL-UHFFFAOYSA-N 1 0 380.492 2.819 50 0 GFAARO O=C(Cn1cc(-c2ccccc2)oc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065255493 222118092 /nfs/dbraw/zinc/11/80/92/222118092.db2.gz CQHXIJFZMFCWTM-UHFFFAOYSA-N 1 0 391.471 2.889 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(N(C)C)[nH+]1 ZINC000065362073 222124654 /nfs/dbraw/zinc/12/46/54/222124654.db2.gz OVQXLJVKDBTMEW-UHFFFAOYSA-N 1 0 393.413 2.832 50 0 GFAARO c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sc4c(c32)CC[NH2+]C4)nc1 ZINC000065372692 222126186 /nfs/dbraw/zinc/12/61/86/222126186.db2.gz PIBVBWMDWRLLKQ-HNNXBMFYSA-N 1 0 381.505 2.918 50 0 GFAARO O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000065523053 222132707 /nfs/dbraw/zinc/13/27/07/222132707.db2.gz KUTFUHMWAUJVBN-QGZVFWFLSA-N 1 0 376.932 2.904 50 0 GFAARO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065513844 222133077 /nfs/dbraw/zinc/13/30/77/222133077.db2.gz CLSFJPDGCPYCCP-RBUKOAKNSA-N 1 0 377.488 2.889 50 0 GFAARO COc1cccc([C@@H]2CC[N@@H+](C3CCN(C(=O)c4ccncc4)CC3)C[C@H]2O)c1 ZINC000065535369 222133526 /nfs/dbraw/zinc/13/35/26/222133526.db2.gz QKZWPTUYBBDVHO-FCHUYYIVSA-N 1 0 395.503 2.545 50 0 GFAARO O=c1ccc(-c2ccccc2F)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066791942 222140151 /nfs/dbraw/zinc/14/01/51/222140151.db2.gz YRDOHNJLCIYHPB-UHFFFAOYSA-N 1 0 378.451 2.825 50 0 GFAARO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067601824 222150126 /nfs/dbraw/zinc/15/01/26/222150126.db2.gz KLXJQPKXQCAXNI-UHFFFAOYSA-N 1 0 376.478 2.969 50 0 GFAARO CCNc1cc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)nc(C)[nH+]1 ZINC000067603750 222150494 /nfs/dbraw/zinc/15/04/94/222150494.db2.gz KRKAACVIKIBSPD-UHFFFAOYSA-N 1 0 384.484 2.888 50 0 GFAARO Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067629516 222152363 /nfs/dbraw/zinc/15/23/63/222152363.db2.gz PJBGTZSFNWWOFV-UHFFFAOYSA-N 1 0 395.507 2.503 50 0 GFAARO O=c1[nH]cc(C[N@@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c(=O)[nH]1 ZINC000067675719 222153759 /nfs/dbraw/zinc/15/37/59/222153759.db2.gz IXHZJUDIQWLUDO-UHFFFAOYSA-N 1 0 399.454 2.679 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccccc3)C2=O)c1OC ZINC000067695512 222156354 /nfs/dbraw/zinc/15/63/54/222156354.db2.gz DKOIZMXACMFFFI-HSZRJFAPSA-N 1 0 398.503 2.689 50 0 GFAARO Cc1cccc(C[NH+]2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)n1 ZINC000067774278 222160130 /nfs/dbraw/zinc/16/01/30/222160130.db2.gz WEFBWUYRYUJCTB-UHFFFAOYSA-N 1 0 377.492 2.713 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000067920224 222166742 /nfs/dbraw/zinc/16/67/42/222166742.db2.gz NNPNIDVNQSCXQB-IBGZPJMESA-N 1 0 398.551 2.607 50 0 GFAARO C[C@@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067947787 222169853 /nfs/dbraw/zinc/16/98/53/222169853.db2.gz HHOCDJAOUAZHRN-GFCCVEGCSA-N 1 0 390.875 2.691 50 0 GFAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000071754793 222191325 /nfs/dbraw/zinc/19/13/25/222191325.db2.gz FPMVORUADNNPCV-HXUWFJFHSA-N 1 0 396.535 2.976 50 0 GFAARO COc1cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479676 222184785 /nfs/dbraw/zinc/18/47/85/222184785.db2.gz MBTBRPCXXGJZBN-QGZVFWFLSA-N 1 0 389.515 2.789 50 0 GFAARO CC(C)[C@H]1CN(C2CCN(C(=O)c3cnccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071662582 222185988 /nfs/dbraw/zinc/18/59/88/222185988.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 1 0 385.556 2.524 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3noc(-c4ccccc4)n3)CC2)C1 ZINC000071745334 222187722 /nfs/dbraw/zinc/18/77/22/222187722.db2.gz PFNNEGXKPKZWKP-KRWDZBQOSA-N 1 0 395.507 2.696 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071753164 222191941 /nfs/dbraw/zinc/19/19/41/222191941.db2.gz NHNARMSFWQBBGP-FQEVSTJZSA-N 1 0 383.536 2.934 50 0 GFAARO O=C(N1CCO[C@]2(C1)C[NH2+]CCOC2)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000072140227 222210157 /nfs/dbraw/zinc/21/01/57/222210157.db2.gz DETSQHBZPQGMTK-FQEVSTJZSA-N 1 0 392.927 2.759 50 0 GFAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072152741 222213453 /nfs/dbraw/zinc/21/34/53/222213453.db2.gz UTEDRFTZWBUSMH-UHFFFAOYSA-N 1 0 380.492 2.513 50 0 GFAARO NC(=O)c1ccnc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072164906 222215439 /nfs/dbraw/zinc/21/54/39/222215439.db2.gz MSPWDOCCHYWBPD-CDHQVMDDSA-N 1 0 384.430 2.525 50 0 GFAARO C[C@@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CCN1C ZINC000072171232 222217047 /nfs/dbraw/zinc/21/70/47/222217047.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 1 0 391.559 2.861 50 0 GFAARO COCCCS(=O)(=O)NCC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000072310608 222223526 /nfs/dbraw/zinc/22/35/26/222223526.db2.gz CPQXDLBFRFINAB-UHFFFAOYSA-N 1 0 376.522 2.741 50 0 GFAARO COc1ccc(CN(C)C(=O)CCc2cc3n(n2)CCC[NH2+]C3)c2cccnc12 ZINC000072481300 222267034 /nfs/dbraw/zinc/26/70/34/222267034.db2.gz WNFBGUJCUSVAFM-UHFFFAOYSA-N 1 0 393.491 2.524 50 0 GFAARO COc1ccccc1-c1ccc(=O)n(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072404819 222255749 /nfs/dbraw/zinc/25/57/49/222255749.db2.gz GSFSJJNJFBBADL-UHFFFAOYSA-N 1 0 390.487 2.694 50 0 GFAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000072437355 222260560 /nfs/dbraw/zinc/26/05/60/222260560.db2.gz AZCIKTOYIYCDQP-ZDUSSCGKSA-N 1 0 375.332 2.849 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2ccc3[nH]cnc3c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072431243 222260675 /nfs/dbraw/zinc/26/06/75/222260675.db2.gz KUJYWBYZCGPVDB-UXHICEINSA-N 1 0 376.460 2.684 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000072474420 222264991 /nfs/dbraw/zinc/26/49/91/222264991.db2.gz IIVXPMFFOFGPET-IBGZPJMESA-N 1 0 378.480 2.549 50 0 GFAARO CCCCn1ccnc1C1CCN(C(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000095499609 222334317 /nfs/dbraw/zinc/33/43/17/222334317.db2.gz AHVABQXDCMJIGM-IBGZPJMESA-N 1 0 376.545 2.889 50 0 GFAARO CNc1ncc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000095504574 222337015 /nfs/dbraw/zinc/33/70/15/222337015.db2.gz FSIPAFGEMPXLKS-UHFFFAOYSA-N 1 0 385.487 2.684 50 0 GFAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCCOCC1 ZINC000095506723 222337595 /nfs/dbraw/zinc/33/75/95/222337595.db2.gz JRMXVWKTLABMBH-UHFFFAOYSA-N 1 0 395.503 2.988 50 0 GFAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000095508703 222340120 /nfs/dbraw/zinc/34/01/20/222340120.db2.gz KAMPFEZJOBNDDK-QGZVFWFLSA-N 1 0 380.452 2.674 50 0 GFAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](CCCn2cnnn2)C1 ZINC000095508704 222340941 /nfs/dbraw/zinc/34/09/41/222340941.db2.gz KAMPFEZJOBNDDK-KRWDZBQOSA-N 1 0 380.452 2.674 50 0 GFAARO C[C@@H]([NH3+])C(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000095507865 222340984 /nfs/dbraw/zinc/34/09/84/222340984.db2.gz NMWWJTUCKJKHJZ-CYBMUJFWSA-N 1 0 385.430 2.688 50 0 GFAARO COc1ccccc1S(=O)(=O)NC[C@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000077171687 222274603 /nfs/dbraw/zinc/27/46/03/222274603.db2.gz JDTOOIKYHUUBJY-GOSISDBHSA-N 1 0 387.505 2.768 50 0 GFAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)nc3)C2)CN1CCCO ZINC000077406092 222282052 /nfs/dbraw/zinc/28/20/52/222282052.db2.gz LWKQNGASGFNDCX-SFHVURJKSA-N 1 0 385.430 2.687 50 0 GFAARO CN1C(=O)C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000079479399 222305568 /nfs/dbraw/zinc/30/55/68/222305568.db2.gz QKOMJWJWQGIBIT-GGAORHGYSA-N 1 0 391.515 2.987 50 0 GFAARO Cc1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)c2ccc(F)cc2n1 ZINC000082128045 222309867 /nfs/dbraw/zinc/30/98/67/222309867.db2.gz LSFSGVDEWAHWGN-UHFFFAOYSA-N 1 0 384.499 2.924 50 0 GFAARO Cc1n[nH]cc1CN(C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095523980 222348077 /nfs/dbraw/zinc/34/80/77/222348077.db2.gz RUWKHOVQUAIIKS-OAQYLSRUSA-N 1 0 386.540 2.966 50 0 GFAARO CCOc1ccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)cn1 ZINC000096142318 222388382 /nfs/dbraw/zinc/38/83/82/222388382.db2.gz UFNPMYXJQLZRAR-UHFFFAOYSA-N 1 0 384.528 2.584 50 0 GFAARO CCn1c(CN(C)C)nnc1C1CCN(Cc2[nH+]c(C)n3ccccc23)CC1 ZINC000096164014 222394760 /nfs/dbraw/zinc/39/47/60/222394760.db2.gz HSVJIDFCHVTNNL-UHFFFAOYSA-N 1 0 381.528 2.695 50 0 GFAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423840 534686609 /nfs/dbraw/zinc/68/66/09/534686609.db2.gz YDDXSTDKVSTPTD-KRWDZBQOSA-N 1 0 383.496 2.519 50 0 GFAARO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]CCN2C(=O)OCc1ccccc1 ZINC000091302727 526425083 /nfs/dbraw/zinc/42/50/83/526425083.db2.gz WBVPUSRPXQVDJC-HXUWFJFHSA-N 1 0 375.469 2.608 50 0 GFAARO CCNc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)[nH+]1 ZINC000065364572 535522828 /nfs/dbraw/zinc/52/28/28/535522828.db2.gz CFTYHMDMWPSVPT-UHFFFAOYSA-N 1 0 377.851 2.972 50 0 GFAARO C[NH+]1CCC(N2CCN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000072417785 536340028 /nfs/dbraw/zinc/34/00/28/536340028.db2.gz DGADDJFGFBAAIX-IBGZPJMESA-N 1 0 388.943 2.855 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000097086706 536421931 /nfs/dbraw/zinc/42/19/31/536421931.db2.gz HZHKXQFIEAJUDX-XFXZXTDPSA-N 1 0 388.475 2.671 50 0 GFAARO CCCOc1c(C[NH2+]CCN2CCOCC2)cc(Br)cc1OC ZINC000020968367 551116336 /nfs/dbraw/zinc/11/63/36/551116336.db2.gz BQEXJSUDGNLNPR-UHFFFAOYSA-N 1 0 387.318 2.668 50 0 GFAARO C[C@@H](CNC(=O)c1ccc(F)cc1I)[NH+]1CCCC1 ZINC000048128711 551155781 /nfs/dbraw/zinc/15/57/81/551155781.db2.gz YAWKNMMZGDPIAJ-JTQLQIEISA-N 1 0 376.213 2.644 50 0 GFAARO Nc1nc(N2CCC[C@H](OC(=O)c3cc(Br)ccc3F)C2)cc[nH+]1 ZINC000225743099 553060143 /nfs/dbraw/zinc/06/01/43/553060143.db2.gz IMCKGUWPQCMMIL-NSHDSACASA-N 1 0 395.232 2.786 50 0 GFAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000237318436 553076388 /nfs/dbraw/zinc/07/63/88/553076388.db2.gz WWNSAIQMFCKKGV-SNVBAGLBSA-N 1 0 381.723 2.723 50 0 GFAARO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000252467407 553149882 /nfs/dbraw/zinc/14/98/82/553149882.db2.gz IFFQSZNVSIMOPX-GDBMZVCRSA-N 1 0 395.345 2.669 50 0 GFAARO C[N@H+](CCCO)C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000253430100 553151359 /nfs/dbraw/zinc/15/13/59/553151359.db2.gz WMJUBYLPVQCRHO-UHFFFAOYSA-N 1 0 382.302 2.869 50 0 GFAARO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)sc1Cl ZINC000652383468 565927586 /nfs/dbraw/zinc/92/75/86/565927586.db2.gz VTNSEJPOGMDSES-UPJWGTAASA-N 1 0 378.947 2.759 50 0 GFAARO Cc1cc(C)c(C[NH+]2CCN(c3c4c(nc5ncnn53)CCC4)CC2)c(C)c1 ZINC000023306607 570229327 /nfs/dbraw/zinc/22/93/27/570229327.db2.gz NMGUCZLMYCLTEK-UHFFFAOYSA-N 1 0 376.508 2.860 50 0 GFAARO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000048301384 570234386 /nfs/dbraw/zinc/23/43/86/570234386.db2.gz RMYMVSOADGRGPP-GOSISDBHSA-N 1 0 375.494 2.650 50 0 GFAARO CC(C)CC[NH+]1CCC2(CCN(C(=O)Cc3cncs3)C[C@@H]2CO)CC1 ZINC000097394051 570242913 /nfs/dbraw/zinc/24/29/13/570242913.db2.gz VVDWUIWEGJROJX-QGZVFWFLSA-N 1 0 379.570 2.655 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(OCC)c2)C3)CC1 ZINC000015779583 570243492 /nfs/dbraw/zinc/24/34/92/570243492.db2.gz RCGJMBVJQQHSDJ-UHFFFAOYSA-N 1 0 395.551 2.966 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc4nonc43)C[C@H]2CCO)cc1C ZINC000104462783 570259405 /nfs/dbraw/zinc/25/94/05/570259405.db2.gz NJZVXFRVJAIBON-LJQANCHMSA-N 1 0 396.491 2.609 50 0 GFAARO Cc1c(C(=O)N2CCOCC2)c(C(F)(F)F)nn1C1CC[NH+](C(C)C)CC1 ZINC000049362706 570262835 /nfs/dbraw/zinc/26/28/35/570262835.db2.gz BBWSNHWVICKNHP-UHFFFAOYSA-N 1 0 388.434 2.728 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccco3)on2)c2ccc(F)cc2)CC1 ZINC000049490330 570268088 /nfs/dbraw/zinc/26/80/88/570268088.db2.gz QQLWSTOGXGTOCX-GOSISDBHSA-N 1 0 398.438 2.792 50 0 GFAARO COc1ccc(-n2ccnc2-c2nc3c[nH]n(C4CC[NH+](C)CC4)c-3n2)cc1 ZINC000020913519 570284449 /nfs/dbraw/zinc/28/44/49/570284449.db2.gz CJFDDLGEHTXBIZ-UHFFFAOYSA-N 1 0 377.452 2.887 50 0 GFAARO C[C@H]1C[NH+](CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)C[C@H](C)O1 ZINC000023619230 570328468 /nfs/dbraw/zinc/32/84/68/570328468.db2.gz XBQYZTUJCLNQCC-GJZGRUSLSA-N 1 0 376.888 2.797 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)CC1 ZINC000022919404 570335659 /nfs/dbraw/zinc/33/56/59/570335659.db2.gz GAPQAKLBBWOITG-FQEVSTJZSA-N 1 0 381.511 2.706 50 0 GFAARO C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039424 570346483 /nfs/dbraw/zinc/34/64/83/570346483.db2.gz UCFYNFWBINJHGX-SFHVURJKSA-N 1 0 384.524 2.817 50 0 GFAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000023361174 570356747 /nfs/dbraw/zinc/35/67/47/570356747.db2.gz PUYMCZJHVMXRAB-NRFANRHFSA-N 1 0 391.519 2.645 50 0 GFAARO COc1cccc(S(=O)(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)c1 ZINC000090609046 570385097 /nfs/dbraw/zinc/38/50/97/570385097.db2.gz HMNQWZBLDLBWHK-MRXNPFEDSA-N 1 0 384.567 2.677 50 0 GFAARO OC[C@H](O)c1cc2n(n1)CCC[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000221373721 570394035 /nfs/dbraw/zinc/39/40/35/570394035.db2.gz KCKICXQLMRHMDZ-QHCPKHFHSA-N 1 0 377.488 2.947 50 0 GFAARO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000221373667 570394163 /nfs/dbraw/zinc/39/41/63/570394163.db2.gz KCKICXQLMRHMDZ-HSZRJFAPSA-N 1 0 377.488 2.947 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000025332425 570411498 /nfs/dbraw/zinc/41/14/98/570411498.db2.gz PPZPPJUFNVYPOY-QGZVFWFLSA-N 1 0 375.494 2.612 50 0 GFAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](O)c1ccccc1 ZINC000043492336 570415290 /nfs/dbraw/zinc/41/52/90/570415290.db2.gz FVOYFDJHOJREMR-LAUBAEHRSA-N 1 0 399.491 2.881 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000006432673 570418232 /nfs/dbraw/zinc/41/82/32/570418232.db2.gz RMYYLPHCAAGWHI-UHFFFAOYSA-N 1 0 383.492 2.948 50 0 GFAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C4CCOCC4)CC3)CC2)nc1 ZINC000245053496 570419563 /nfs/dbraw/zinc/41/95/63/570419563.db2.gz OWUPSGBJXUHBRL-UHFFFAOYSA-N 1 0 398.473 2.866 50 0 GFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)cc1 ZINC000027597237 570437495 /nfs/dbraw/zinc/43/74/95/570437495.db2.gz WOIKFYYPYGKTTR-OAQYLSRUSA-N 1 0 397.519 2.797 50 0 GFAARO c1coc(CN2CCC([NH2+][C@@H]3CCOC[C@H]3OCc3cscn3)CC2)c1 ZINC000223160704 570447698 /nfs/dbraw/zinc/44/76/98/570447698.db2.gz ODZOZKCJQIOPJD-RTBURBONSA-N 1 0 377.510 2.664 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)NCC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426621748 570502007 /nfs/dbraw/zinc/50/20/07/570502007.db2.gz PVGUMRJAMZBUCE-UHFFFAOYSA-N 1 0 398.576 2.993 50 0 GFAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)CC1 ZINC000032959990 570519316 /nfs/dbraw/zinc/51/93/16/570519316.db2.gz KXKCKHWESDSXLL-KRWDZBQOSA-N 1 0 385.512 2.610 50 0 GFAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095028 570534559 /nfs/dbraw/zinc/53/45/59/570534559.db2.gz ROMOLONFNZMISX-SFHVURJKSA-N 1 0 375.465 2.592 50 0 GFAARO CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000005027777 570541135 /nfs/dbraw/zinc/54/11/35/570541135.db2.gz AVRKSDIAESDLTH-VQIMIIECSA-N 1 0 386.492 2.812 50 0 GFAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000039983286 570541242 /nfs/dbraw/zinc/54/12/42/570541242.db2.gz IZWMXPGSWATHHT-HXUWFJFHSA-N 1 0 383.492 2.946 50 0 GFAARO COCCNC(=O)[C@@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022774412 570544528 /nfs/dbraw/zinc/54/45/28/570544528.db2.gz GZIYDOFDWCEOLJ-LJQANCHMSA-N 1 0 381.520 2.545 50 0 GFAARO Cc1cccc(C)c1-n1nnnc1C1(N2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000035170788 570550243 /nfs/dbraw/zinc/55/02/43/570550243.db2.gz ZQEKFRFCJSCBQE-UHFFFAOYSA-N 1 0 392.551 2.836 50 0 GFAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)cc1 ZINC000035421964 570553249 /nfs/dbraw/zinc/55/32/49/570553249.db2.gz FCBIFPMUMGMGLH-UHFFFAOYSA-N 1 0 389.540 2.786 50 0 GFAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000039551464 570593212 /nfs/dbraw/zinc/59/32/12/570593212.db2.gz NDEYEEPNAVLILT-FQEVSTJZSA-N 1 0 395.551 2.639 50 0 GFAARO Cc1nn([C@H](C)C(=O)NCC[NH+]2CCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799189 570599201 /nfs/dbraw/zinc/59/92/01/570599201.db2.gz URTXYBPOGMFDTD-CQSZACIVSA-N 1 0 384.505 2.693 50 0 GFAARO Cc1nn(C)c(C)c1-c1ccnc(N2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000048187870 570656186 /nfs/dbraw/zinc/65/61/86/570656186.db2.gz RXZAPTQKNFLQIF-UHFFFAOYSA-N 1 0 377.496 2.914 50 0 GFAARO CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000229691021 570666053 /nfs/dbraw/zinc/66/60/53/570666053.db2.gz MPSYTASYTIIHBS-KSVNGYGVSA-N 1 0 375.513 2.956 50 0 GFAARO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000229757579 570666624 /nfs/dbraw/zinc/66/66/24/570666624.db2.gz YOKOGEWFEQKVJU-IIMDRIAPSA-N 1 0 385.552 2.943 50 0 GFAARO O=C(CN(C(=O)c1cccc(Cl)c1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000033032456 570669453 /nfs/dbraw/zinc/66/94/53/570669453.db2.gz OGWVHUWBPBOJLT-UHFFFAOYSA-N 1 0 377.916 2.937 50 0 GFAARO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000054092241 570676299 /nfs/dbraw/zinc/67/62/99/570676299.db2.gz DJSLMQVHDYKZII-OALUTQOASA-N 1 0 399.578 2.501 50 0 GFAARO O=C(N[C@H](Cc1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238140060 570679167 /nfs/dbraw/zinc/67/91/67/570679167.db2.gz IGCFUOWWCOPLJM-PZJWPPBQSA-N 1 0 379.504 2.534 50 0 GFAARO O=CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000242047876 570688867 /nfs/dbraw/zinc/68/88/67/570688867.db2.gz VQTOMCAAFZMDDD-SFHVURJKSA-N 1 0 398.334 2.641 50 0 GFAARO C[NH+](C)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000006895505 570692858 /nfs/dbraw/zinc/69/28/58/570692858.db2.gz XZDUIXPDXDRRPV-HSZRJFAPSA-N 1 0 399.310 2.641 50 0 GFAARO CCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248161376 570721375 /nfs/dbraw/zinc/72/13/75/570721375.db2.gz LRJIQVVIBWKPJG-IBGZPJMESA-N 1 0 397.567 2.993 50 0 GFAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000002818423 570721465 /nfs/dbraw/zinc/72/14/65/570721465.db2.gz AZAQEODUJOBDSQ-QGZVFWFLSA-N 1 0 380.282 2.683 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)[NH+]1CCCC1 ZINC000032674724 570728582 /nfs/dbraw/zinc/72/85/82/570728582.db2.gz MLRYPQAQTCGVKG-FQEVSTJZSA-N 1 0 391.475 2.843 50 0 GFAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032776732 570799096 /nfs/dbraw/zinc/79/90/96/570799096.db2.gz MUQICPWMGZHQPU-NRFANRHFSA-N 1 0 394.519 2.966 50 0 GFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000065440786 570819943 /nfs/dbraw/zinc/81/99/43/570819943.db2.gz IVCQJPHMEWRPQF-HZPDHXFCSA-N 1 0 380.483 2.821 50 0 GFAARO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000007251265 570820424 /nfs/dbraw/zinc/82/04/24/570820424.db2.gz JVORVSKCVODWRS-IBGZPJMESA-N 1 0 382.508 2.519 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000004691032 570840009 /nfs/dbraw/zinc/84/00/09/570840009.db2.gz KEEPPHLZPUMOJX-INIZCTEOSA-N 1 0 393.528 2.907 50 0 GFAARO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1 ZINC000014534298 570848175 /nfs/dbraw/zinc/84/81/75/570848175.db2.gz RQOHHKJPIJHICB-LEWJYISDSA-N 1 0 391.515 2.964 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014536919 570848525 /nfs/dbraw/zinc/84/85/25/570848525.db2.gz HSXGRYDWRTXMSZ-OAHLLOKOSA-N 1 0 388.537 2.641 50 0 GFAARO CN(CC(F)(F)F)C(=O)CN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000170599737 570857745 /nfs/dbraw/zinc/85/77/45/570857745.db2.gz RQQUCQUINQLJHJ-RDBSUJKOSA-N 1 0 378.435 2.982 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014733306 570857879 /nfs/dbraw/zinc/85/78/79/570857879.db2.gz CQSMCCOSSKZTQN-KRWDZBQOSA-N 1 0 393.491 2.810 50 0 GFAARO COc1ccc2cc([C@@H]3CN(Cc4cc5n(n4)CC[NH2+]C5)CCO3)ccc2c1 ZINC000072145076 570870868 /nfs/dbraw/zinc/87/08/68/570870868.db2.gz LNLVOKGIPTWDQZ-QFIPXVFZSA-N 1 0 378.476 2.722 50 0 GFAARO C[C@H](c1noc(C2([NH+]3CCCCC3)Cc3ccccc3C2)n1)N1CCOCC1 ZINC000072147787 570872296 /nfs/dbraw/zinc/87/22/96/570872296.db2.gz VMZNXWFOFNCNKP-QGZVFWFLSA-N 1 0 382.508 2.943 50 0 GFAARO CCCS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000072149733 570873348 /nfs/dbraw/zinc/87/33/48/570873348.db2.gz SIQMJPRWZDGXAF-HXUWFJFHSA-N 1 0 396.553 2.732 50 0 GFAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000299756724 570891908 /nfs/dbraw/zinc/89/19/08/570891908.db2.gz DXYRZRPCEWHHRI-AWEZNQCLSA-N 1 0 386.418 2.616 50 0 GFAARO CC(C)c1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299757770 570892169 /nfs/dbraw/zinc/89/21/69/570892169.db2.gz NAMDITLNQIKYGQ-HNNXBMFYSA-N 1 0 394.479 2.822 50 0 GFAARO CO[C@]12CC[N@H+](Cc3cc(F)ccc3F)[C@H]1C[C@H](NC(=O)c1ccon1)CC2 ZINC000534582874 570903357 /nfs/dbraw/zinc/90/33/57/570903357.db2.gz WXWYPVBSHHDOAD-MOXGXCLJSA-N 1 0 391.418 2.895 50 0 GFAARO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000089799906 570915331 /nfs/dbraw/zinc/91/53/31/570915331.db2.gz FIANRUOZJRHWAN-HZPDHXFCSA-N 1 0 375.538 2.733 50 0 GFAARO O=C(CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)NCc1cccs1 ZINC000047262112 570950414 /nfs/dbraw/zinc/95/04/14/570950414.db2.gz QGZSPNHGMFYACH-ZDUSSCGKSA-N 1 0 392.912 2.763 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000033283329 570957761 /nfs/dbraw/zinc/95/77/61/570957761.db2.gz IPVYCIMJKSBJAQ-LJQANCHMSA-N 1 0 397.523 2.870 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4F)C3=O)c2c1 ZINC000004744811 570959962 /nfs/dbraw/zinc/95/99/62/570959962.db2.gz CXNNSPURFODXSU-SFHVURJKSA-N 1 0 381.407 2.780 50 0 GFAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000019221889 570963404 /nfs/dbraw/zinc/96/34/04/570963404.db2.gz CLODZDWAEABECJ-UHFFFAOYSA-N 1 0 385.512 2.579 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2Br)no1 ZINC000126017584 570966982 /nfs/dbraw/zinc/96/69/82/570966982.db2.gz FGJNBDRXDNVGDU-NSHDSACASA-N 1 0 394.269 2.758 50 0 GFAARO CC[C@@H]1CN(C(=O)c2ccc(NCCn3ccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000019334359 570976018 /nfs/dbraw/zinc/97/60/18/570976018.db2.gz NZAKJTVTPLWURN-LJQANCHMSA-N 1 0 384.528 2.643 50 0 GFAARO O=C(NCc1cccc(N2CCCC2=O)c1)c1ccccc1CN1CCOCC1 ZINC000170647382 570984440 /nfs/dbraw/zinc/98/44/40/570984440.db2.gz WZRNUBHUWWWUTC-UHFFFAOYSA-N 1 0 393.487 2.576 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)Cn2cnc3c(C)cccc3c2=O)[NH+](C)C)cc1 ZINC000032217003 570986512 /nfs/dbraw/zinc/98/65/12/570986512.db2.gz OJSLYNRETHDBOP-HXUWFJFHSA-N 1 0 392.503 2.686 50 0 GFAARO Cc1nc2sc3c(c2c2nc(C(=O)NCCC[NH+](C)C)nn21)[C@H](C)CCC3 ZINC000002200448 570998920 /nfs/dbraw/zinc/99/89/20/570998920.db2.gz XUTSTAWTKRKCSX-LLVKDONJSA-N 1 0 386.525 2.769 50 0 GFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091416685 571006754 /nfs/dbraw/zinc/00/67/54/571006754.db2.gz UISJHLGYXQPSMM-LLVKDONJSA-N 1 0 395.290 2.621 50 0 GFAARO Cc1oc2c(c1C(=O)NCc1cc3n(n1)CC[N@@H+](CC(C)C)C3)C(=O)CCC2 ZINC000091737011 571028328 /nfs/dbraw/zinc/02/83/28/571028328.db2.gz LFKFZGREXDALQS-UHFFFAOYSA-N 1 0 384.480 2.705 50 0 GFAARO CSc1cccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000091830403 571032140 /nfs/dbraw/zinc/03/21/40/571032140.db2.gz URQFRJRLZOMKHP-LJQANCHMSA-N 1 0 376.526 2.569 50 0 GFAARO OC[C@H]1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@H]1C[NH+]1CCCCC1 ZINC000092046560 571042651 /nfs/dbraw/zinc/04/26/51/571042651.db2.gz ZJKWBWKMCCEKLN-HUUCEWRRSA-N 1 0 398.473 2.905 50 0 GFAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C3CC3)no1)CC2 ZINC000092077589 571043876 /nfs/dbraw/zinc/04/38/76/571043876.db2.gz OMDCXQMPHDKAIK-UHFFFAOYSA-N 1 0 383.496 2.921 50 0 GFAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)ccc1=O ZINC000095367202 571059054 /nfs/dbraw/zinc/05/90/54/571059054.db2.gz FXGKSQNYTVNTIT-HXUWFJFHSA-N 1 0 379.504 2.727 50 0 GFAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](CCn3cnc4ccccc43)C[C@@H]2C1 ZINC000095373900 571062766 /nfs/dbraw/zinc/06/27/66/571062766.db2.gz KVJBIKYZEKVYEI-AUSIDOKSSA-N 1 0 396.535 2.512 50 0 GFAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc(N)n1 ZINC000095387878 571071212 /nfs/dbraw/zinc/07/12/12/571071212.db2.gz ZEHFCGXXLARORL-QZTJIDSGSA-N 1 0 379.508 2.919 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000029757534 654579003 /nfs/dbraw/zinc/57/90/03/654579003.db2.gz DMJVKTBVQUHYKB-CQSZACIVSA-N 1 0 375.296 2.845 50 0 GFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1nc(-c2ccco2)no1 ZINC000218886799 222591208 /nfs/dbraw/zinc/59/12/08/222591208.db2.gz YCYLLLSCDNIIDU-QGZVFWFLSA-N 1 0 380.448 2.777 50 0 GFAARO COc1ccccc1C1=NO[C@](C)(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000222283791 222607200 /nfs/dbraw/zinc/60/72/00/222607200.db2.gz GBQWSWCKMRPAKU-UGKGYDQZSA-N 1 0 381.476 2.997 50 0 GFAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccn(CCO)n3)C2)cc1Cn1cncn1 ZINC000426421095 231219656 /nfs/dbraw/zinc/21/96/56/231219656.db2.gz IHUNQIOJDCSPIC-IBGZPJMESA-N 1 0 394.523 2.512 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414171 231203712 /nfs/dbraw/zinc/20/37/12/231203712.db2.gz OFLAYJUMVBZROV-YLJYHZDGSA-N 1 0 376.545 2.961 50 0 GFAARO O=C(CC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1)Nc1cccnc1 ZINC000426380684 231210558 /nfs/dbraw/zinc/21/05/58/231210558.db2.gz RUORNTBOJUREAE-IBGZPJMESA-N 1 0 378.476 2.549 50 0 GFAARO C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(-c2ccccn2)no1 ZINC000426494505 231230567 /nfs/dbraw/zinc/23/05/67/231230567.db2.gz PLHKMUZYKIZWAL-HNNXBMFYSA-N 1 0 384.484 2.853 50 0 GFAARO Cn1c(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000426541204 231238107 /nfs/dbraw/zinc/23/81/07/231238107.db2.gz DTTWDPRAUPTVQC-ZDUSSCGKSA-N 1 0 383.418 2.828 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426544652 529644638 /nfs/dbraw/zinc/64/46/38/529644638.db2.gz GSQRHTYZCNDHAP-INIZCTEOSA-N 1 0 384.549 2.746 50 0 GFAARO C[NH+]1CCC(N2CCN(C(=O)c3cccc(-c4ccccc4O)c3)CC2)CC1 ZINC000426489764 530049781 /nfs/dbraw/zinc/04/97/81/530049781.db2.gz QWWIQQBRUNFUIE-UHFFFAOYSA-N 1 0 379.504 2.911 50 0 GFAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000000895181 212193960 /nfs/dbraw/zinc/19/39/60/212193960.db2.gz RUHQTGPGWDDYBK-UHFFFAOYSA-N 1 0 399.491 2.863 50 0 GFAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000225405600 212115456 /nfs/dbraw/zinc/11/54/56/212115456.db2.gz JUIUOTIUIWZUJS-IAGOWNOFSA-N 1 0 391.947 2.727 50 0 GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000408519261 532984262 /nfs/dbraw/zinc/98/42/62/532984262.db2.gz LTYMWWLMUQOUNN-CRAIPNDOSA-N 1 0 381.476 2.564 50 0 GFAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+](C)C)c1C ZINC000010219118 221099431 /nfs/dbraw/zinc/09/94/31/221099431.db2.gz YHSBAFSUWMUUPP-QGZVFWFLSA-N 1 0 387.480 2.850 50 0 GFAARO Cc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1C ZINC000011697853 221123821 /nfs/dbraw/zinc/12/38/21/221123821.db2.gz CQUMUOXPFLWDRA-UHFFFAOYSA-N 1 0 398.492 2.622 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnn1C ZINC000011818094 221127244 /nfs/dbraw/zinc/12/72/44/221127244.db2.gz JRQCIYQSOJHOBU-LJQANCHMSA-N 1 0 384.524 2.846 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C3C4CC5CC(C4)CC3C5)C2=O)c1 ZINC000011839239 221130970 /nfs/dbraw/zinc/13/09/70/221130970.db2.gz HCTMHOIROZSZSR-XVSOBFGFSA-N 1 0 398.547 2.963 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CC=C(C)C)CC1 ZINC000011838541 221131392 /nfs/dbraw/zinc/13/13/92/221131392.db2.gz RLOWXZVTUYGTCB-UHFFFAOYSA-N 1 0 376.497 2.881 50 0 GFAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](C[C@@H]2CC=CCC2)CC3)c(C)o1 ZINC000011872296 221133932 /nfs/dbraw/zinc/13/39/32/221133932.db2.gz JDWWPDAYZSRRFU-QGZVFWFLSA-N 1 0 383.496 2.632 50 0 GFAARO CC1(C)C(=O)NCCN1C(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011662089 221118523 /nfs/dbraw/zinc/11/85/23/221118523.db2.gz KKVIJKLDTNFZLL-UHFFFAOYSA-N 1 0 399.535 2.823 50 0 GFAARO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)C(=O)N1CCc1ccccc1 ZINC000011694018 221122187 /nfs/dbraw/zinc/12/21/87/221122187.db2.gz KKDIILXTQNBDNH-UHFFFAOYSA-N 1 0 381.451 2.955 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)CCc1cnn(C)c1 ZINC000011933386 221137595 /nfs/dbraw/zinc/13/75/95/221137595.db2.gz AXQXAHUQDXYTML-FQEVSTJZSA-N 1 0 386.515 2.905 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CSC ZINC000011956623 221140808 /nfs/dbraw/zinc/14/08/08/221140808.db2.gz KTAYDEPLQBDCNT-QGZVFWFLSA-N 1 0 376.566 2.704 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]Cc1ccc(F)cc1 ZINC000011997173 221142681 /nfs/dbraw/zinc/14/26/81/221142681.db2.gz RVUKRQQPDLFDOG-HXUWFJFHSA-N 1 0 378.394 2.747 50 0 GFAARO O=C(CCCn1cncn1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012023276 221143555 /nfs/dbraw/zinc/14/35/55/221143555.db2.gz WMVIYFIJEOCHOG-JOCHJYFZSA-N 1 0 381.524 2.616 50 0 GFAARO COC(=O)c1ccc(NC(=S)N2CCC[N@H+](CCc3ccncc3)CC2)cc1 ZINC000012321844 221180867 /nfs/dbraw/zinc/18/08/67/221180867.db2.gz JZZFIHKHAQVUAX-UHFFFAOYSA-N 1 0 398.532 2.815 50 0 GFAARO C/C(=C\c1ccccc1)C[N@H+](C)CCn1cc(C(=O)NCc2ccncc2)nn1 ZINC000012212568 221167499 /nfs/dbraw/zinc/16/74/99/221167499.db2.gz NFKZXZJBVGWFFF-NBVRZTHBSA-N 1 0 390.491 2.638 50 0 GFAARO O=C(NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1cnccn1 ZINC000012213881 221167715 /nfs/dbraw/zinc/16/77/15/221167715.db2.gz DTKHCFZHTDGRNX-FQEVSTJZSA-N 1 0 394.519 2.853 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H]2CCOC2)c1 ZINC000012430454 221191823 /nfs/dbraw/zinc/19/18/23/221191823.db2.gz WJJFRVMOIDYLHZ-MRXNPFEDSA-N 1 0 388.508 3.000 50 0 GFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012510921 221199744 /nfs/dbraw/zinc/19/97/44/221199744.db2.gz ZYADLHCUOHMQJG-FHHGHWCOSA-N 1 0 395.507 2.873 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C ZINC000012510824 221200425 /nfs/dbraw/zinc/20/04/25/221200425.db2.gz NDYBTYKUHUAKMB-UHFFFAOYSA-N 1 0 384.509 2.771 50 0 GFAARO O=C1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CN1Cc1ccc(F)cc1 ZINC000012581302 221210287 /nfs/dbraw/zinc/21/02/87/221210287.db2.gz AXFXAIFQPMCKMO-NRFANRHFSA-N 1 0 378.451 2.961 50 0 GFAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@H](C)CC(C)(C)O)CC1 ZINC000012597466 221213368 /nfs/dbraw/zinc/21/33/68/221213368.db2.gz NPJUCPYRQVYXKW-OAHLLOKOSA-N 1 0 390.524 2.980 50 0 GFAARO O=C(CN1CCCC1=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012715584 221221024 /nfs/dbraw/zinc/22/10/24/221221024.db2.gz WNRMSRXBJMBCHQ-HSZRJFAPSA-N 1 0 383.536 2.556 50 0 GFAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cn2cncn2)cc1 ZINC000012761104 221227959 /nfs/dbraw/zinc/22/79/59/221227959.db2.gz BYFFDBOYLOHGQS-NRFANRHFSA-N 1 0 375.476 2.893 50 0 GFAARO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000012905603 221244305 /nfs/dbraw/zinc/24/43/05/221244305.db2.gz LFJXQANBSOCGGC-CYBMUJFWSA-N 1 0 375.856 2.934 50 0 GFAARO CCOc1ccccc1C(=O)NCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012946891 221250252 /nfs/dbraw/zinc/25/02/52/221250252.db2.gz RYLOKTUDYHBWBK-SFHVURJKSA-N 1 0 399.491 2.752 50 0 GFAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccccc1Br ZINC000014167563 221301245 /nfs/dbraw/zinc/30/12/45/221301245.db2.gz LHJWQIZLUFNDLZ-UHFFFAOYSA-N 1 0 383.311 2.989 50 0 GFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000014745679 221316285 /nfs/dbraw/zinc/31/62/85/221316285.db2.gz LKQWHSSSAQCANJ-MRXNPFEDSA-N 1 0 376.570 2.779 50 0 GFAARO COc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)cn2)cc1 ZINC000015080227 221333074 /nfs/dbraw/zinc/33/30/74/221333074.db2.gz XPAUEWGNKIOFHW-GOSISDBHSA-N 1 0 376.464 2.701 50 0 GFAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000015773296 221344053 /nfs/dbraw/zinc/34/40/53/221344053.db2.gz FZWFKHDPAVQGPK-QFIPXVFZSA-N 1 0 377.488 2.529 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1=Cc2ccccc2OC1 ZINC000015786344 221345748 /nfs/dbraw/zinc/34/57/48/221345748.db2.gz NVEUCBFMLFXMIR-UHFFFAOYSA-N 1 0 377.488 2.791 50 0 GFAARO Cc1cc(C)cc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000015864114 221349835 /nfs/dbraw/zinc/34/98/35/221349835.db2.gz DGKTVZFJCFQGEI-UHFFFAOYSA-N 1 0 383.467 2.517 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[N@H+](C)[C@H](C)C3)nc2)cc1 ZINC000039468153 132391513 /nfs/dbraw/zinc/39/15/13/132391513.db2.gz WIZCHKGSKCVKOS-QGZVFWFLSA-N 1 0 382.508 2.593 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746335 136157585 /nfs/dbraw/zinc/15/75/85/136157585.db2.gz WKJMUPFPUQJALT-GOSISDBHSA-N 1 0 383.496 2.941 50 0 GFAARO Cc1nc2sccc2c(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071774686 136166759 /nfs/dbraw/zinc/16/67/59/136166759.db2.gz GTXINIHSUXBSSF-HNNXBMFYSA-N 1 0 399.564 2.959 50 0 GFAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC([NH+]4CCCC4)CC3)c12 ZINC000072425411 136169849 /nfs/dbraw/zinc/16/98/49/136169849.db2.gz WPOVRVNKENYWPZ-UHFFFAOYSA-N 1 0 377.496 2.798 50 0 GFAARO CNc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000072428390 136169992 /nfs/dbraw/zinc/16/99/92/136169992.db2.gz ZOZYQFNIDNWFOB-RBUKOAKNSA-N 1 0 379.508 2.887 50 0 GFAARO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)nc(C(C)C)n1 ZINC000089599281 136175635 /nfs/dbraw/zinc/17/56/35/136175635.db2.gz KTDDVUGDIWGISV-LJQANCHMSA-N 1 0 385.556 2.964 50 0 GFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3nc(N)nc4n[nH]cc43)CC2)C1 ZINC000091690798 136177131 /nfs/dbraw/zinc/17/71/31/136177131.db2.gz FVAQNKBSSZJGSF-INIZCTEOSA-N 1 0 377.496 2.641 50 0 GFAARO COCCN1CCC[C@]2(CC[N@@H+](C3CCN(c4ccc(C)cc4)CC3)C2)C1=O ZINC000095391643 136178884 /nfs/dbraw/zinc/17/88/84/136178884.db2.gz PHUCDBOFBKJLFK-HSZRJFAPSA-N 1 0 385.552 2.925 50 0 GFAARO Cc1ccc(CN2c3ccc(F)cc3OC[C@H]2CC(=O)NCC[NH+](C)C)cc1 ZINC000096323082 136186602 /nfs/dbraw/zinc/18/66/02/136186602.db2.gz CGSYNXHIEGPNBQ-LJQANCHMSA-N 1 0 385.483 2.970 50 0 GFAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000223960471 136206162 /nfs/dbraw/zinc/20/61/62/136206162.db2.gz VRYDAWMHPFVSLD-UHFFFAOYSA-N 1 0 381.459 2.663 50 0 GFAARO CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1 ZINC000022075637 221553515 /nfs/dbraw/zinc/55/35/15/221553515.db2.gz BTUFGKLEJHZTOW-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccc(-n2cnnn2)c1 ZINC000043524466 221949224 /nfs/dbraw/zinc/94/92/24/221949224.db2.gz DHGIEOPGSQNASW-UHFFFAOYSA-N 1 0 377.452 2.580 50 0 GFAARO O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCC[NH+]1CCCC1 ZINC000065031503 222096801 /nfs/dbraw/zinc/09/68/01/222096801.db2.gz XKWGFAOIIMPAJA-UHFFFAOYSA-N 1 0 376.460 2.888 50 0 GFAARO Cc1ccc([C@H](C[NH2+]Cc2csc(-c3ncccn3)n2)N2CCOCC2)o1 ZINC000058108224 222039647 /nfs/dbraw/zinc/03/96/47/222039647.db2.gz HLUZZSUPXQEDGA-INIZCTEOSA-N 1 0 385.493 2.665 50 0 GFAARO COC(=O)c1sccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000058265588 222047444 /nfs/dbraw/zinc/04/74/44/222047444.db2.gz PHGWNKKLCCVBKF-KBPBESRZSA-N 1 0 395.525 2.888 50 0 GFAARO CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058304865 222049851 /nfs/dbraw/zinc/04/98/51/222049851.db2.gz MNLRSGYMQFKPEB-AEFFLSMTSA-N 1 0 398.507 2.585 50 0 GFAARO COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000064979498 222092387 /nfs/dbraw/zinc/09/23/87/222092387.db2.gz YQNOBMXNQUBQMS-UHFFFAOYSA-N 1 0 393.509 2.813 50 0 GFAARO O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065257707 222117672 /nfs/dbraw/zinc/11/76/72/222117672.db2.gz MVKHJHCRXGWFGQ-FQEVSTJZSA-N 1 0 383.536 2.555 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065516015 222133978 /nfs/dbraw/zinc/13/39/78/222133978.db2.gz ZZUVFHRDCSSFKF-HUUCEWRRSA-N 1 0 381.467 2.802 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000065523082 222134090 /nfs/dbraw/zinc/13/40/90/222134090.db2.gz GONRLJUQFHLLBM-KURKYZTESA-N 1 0 376.520 2.929 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCCC1 ZINC000071750626 222190036 /nfs/dbraw/zinc/19/00/36/222190036.db2.gz NJOAQNRETXTJDK-SFHVURJKSA-N 1 0 383.540 2.657 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CC3(C(C)C)CC3)C2=O)c1 ZINC000067740383 222157601 /nfs/dbraw/zinc/15/76/01/222157601.db2.gz HNLWWNZHSVFRJE-OAQYLSRUSA-N 1 0 378.488 2.714 50 0 GFAARO COC[C@H]1CCCN(C(=O)c2ccc(N3CCC[N@H+](CC(C)C)CC3)nc2)C1 ZINC000067847438 222163734 /nfs/dbraw/zinc/16/37/34/222163734.db2.gz PJLSGLUYWZDDHY-IBGZPJMESA-N 1 0 388.556 2.748 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C1CCN(c2ccccc2Cl)CC1 ZINC000067869050 222164693 /nfs/dbraw/zinc/16/46/93/222164693.db2.gz RNBPTQCNTYWYSA-KXBFYZLASA-N 1 0 378.948 2.579 50 0 GFAARO CC(C)[C@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)CCC[N@@H+]1CC1CC1 ZINC000071388849 222183411 /nfs/dbraw/zinc/18/34/11/222183411.db2.gz NKSWQKIHKKIMJG-LJQANCHMSA-N 1 0 378.538 2.673 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000071415800 222183884 /nfs/dbraw/zinc/18/38/84/222183884.db2.gz DJHVSUKCSGLGDO-INIZCTEOSA-N 1 0 377.479 2.920 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4ccsc43)CC2)C1 ZINC000071615079 222186059 /nfs/dbraw/zinc/18/60/59/222186059.db2.gz LAXQJAAQGLMYGH-AWEZNQCLSA-N 1 0 385.537 2.651 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000071754305 222192273 /nfs/dbraw/zinc/19/22/73/222192273.db2.gz BVAUFKHNVCBCHX-QFIPXVFZSA-N 1 0 399.579 2.594 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCN1 ZINC000072171651 222216919 /nfs/dbraw/zinc/21/69/19/222216919.db2.gz ANKWJVYIWBBKQR-HSZRJFAPSA-N 1 0 386.499 2.839 50 0 GFAARO Cc1c(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000072420134 222257035 /nfs/dbraw/zinc/25/70/35/222257035.db2.gz OWEOKIFIQCMQHH-KRWDZBQOSA-N 1 0 382.508 2.958 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCCSc1ccc(Cl)cc1 ZINC000072419944 222257244 /nfs/dbraw/zinc/25/72/44/222257244.db2.gz VKVPVHKILVMTLM-UHFFFAOYSA-N 1 0 378.929 2.871 50 0 GFAARO CCN(CC)S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095499273 222333637 /nfs/dbraw/zinc/33/36/37/222333637.db2.gz WPQWERVXIIPVSZ-VQTJNVASSA-N 1 0 379.570 2.602 50 0 GFAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(c3nccs3)CC2)c1 ZINC000095506271 222337626 /nfs/dbraw/zinc/33/76/26/222337626.db2.gz MTXQXFHDIFHFKZ-UHFFFAOYSA-N 1 0 388.537 2.825 50 0 GFAARO O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000095506233 222339251 /nfs/dbraw/zinc/33/92/51/222339251.db2.gz NQPNSSHFOBRWFT-HXUWFJFHSA-N 1 0 381.451 2.644 50 0 GFAARO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CN2CCc3sccc3C2)c1 ZINC000095508720 222340271 /nfs/dbraw/zinc/34/02/71/222340271.db2.gz ZGCBCXLLSWVTSE-QGZVFWFLSA-N 1 0 376.522 2.616 50 0 GFAARO Cc1nc2c(c(NCC[C@@H](C)[NH+]3CCN(C)CC3)n1)Cc1ccccc1OC2 ZINC000095512392 222343144 /nfs/dbraw/zinc/34/31/44/222343144.db2.gz GXCBANUWTCWKGE-MRXNPFEDSA-N 1 0 381.524 2.706 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077516333 222284797 /nfs/dbraw/zinc/28/47/97/222284797.db2.gz HHFGPYLLPDMTKC-HSZRJFAPSA-N 1 0 385.552 2.848 50 0 GFAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)CCc3ccccc3F)C2)CCC1=O ZINC000082099005 222308630 /nfs/dbraw/zinc/30/86/30/222308630.db2.gz OXTSEVSNODTKPS-JOCHJYFZSA-N 1 0 389.515 2.551 50 0 GFAARO COc1cc(Cl)ccc1C(=O)N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000082091273 222309180 /nfs/dbraw/zinc/30/91/80/222309180.db2.gz YZRQKHUSUUBNHV-HNNXBMFYSA-N 1 0 379.932 2.837 50 0 GFAARO O=S(=O)(N[C@@H]1CCCC[N@H+](CC2CC2)C1)c1ccc(-c2ccon2)s1 ZINC000082134303 222311312 /nfs/dbraw/zinc/31/13/12/222311312.db2.gz DIXPDFTVGSWEAM-CQSZACIVSA-N 1 0 381.523 2.946 50 0 GFAARO CCNc1nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)cc(C)[nH+]1 ZINC000082230718 222312482 /nfs/dbraw/zinc/31/24/82/222312482.db2.gz CISNNJCLLMLTCX-UHFFFAOYSA-N 1 0 377.514 2.532 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3ccccc31)CC2 ZINC000095528905 222353051 /nfs/dbraw/zinc/35/30/51/222353051.db2.gz IXMDPYLNNBGBEK-UHFFFAOYSA-N 1 0 378.480 2.686 50 0 GFAARO Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]Cc2ccc(-n4cncn4)cc2)CC3)cc1 ZINC000096002657 222369109 /nfs/dbraw/zinc/36/91/09/222369109.db2.gz NDZZGDXIWFMVTJ-SFHVURJKSA-N 1 0 389.438 2.770 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)C[N@@H+]1CC1CCCC1 ZINC000096133240 222386577 /nfs/dbraw/zinc/38/65/77/222386577.db2.gz DPRPBKZCVWPPGF-SJORKVTESA-N 1 0 377.554 2.979 50 0 GFAARO CN(C(=O)Nc1ccc2oc(=O)n(C)c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096138457 222386711 /nfs/dbraw/zinc/38/67/11/222386711.db2.gz BWHDUKOAMBRIEC-KRWDZBQOSA-N 1 0 380.448 2.870 50 0 GFAARO CCn1cc(C[NH+]2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)cn1 ZINC000096153452 222390690 /nfs/dbraw/zinc/39/06/90/222390690.db2.gz NTKODJLWAWLMMI-UHFFFAOYSA-N 1 0 385.560 2.787 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1 ZINC000179002432 522057081 /nfs/dbraw/zinc/05/70/81/522057081.db2.gz MSTTULPRZNUAHB-KRWDZBQOSA-N 1 0 375.476 2.924 50 0 GFAARO Cc1cccc(CN2CCN(C(=O)c3cccc([C@@H]4CCC[NH2+]C4)c3)CC2=O)c1 ZINC000095382357 534707671 /nfs/dbraw/zinc/70/76/71/534707671.db2.gz XIJYWSPVMWEYSQ-JOCHJYFZSA-N 1 0 391.515 2.947 50 0 GFAARO CC(=O)c1cccc(-c2cccc(C(=O)NC[C@H]3CCC[N@H+](CCO)C3)c2)c1 ZINC000426497120 527348358 /nfs/dbraw/zinc/34/83/58/527348358.db2.gz GCLKKCWXFLFWMH-GOSISDBHSA-N 1 0 380.488 2.990 50 0 GFAARO CC[N@H+](C)C1(CNC(=O)N2CCC(Cc3noc(C)n3)CC2)CCCCC1 ZINC000426493192 527793386 /nfs/dbraw/zinc/79/33/86/527793386.db2.gz NLCKMCAGFWIXBY-UHFFFAOYSA-N 1 0 377.533 2.997 50 0 GFAARO CCCCn1nc(C(=O)Nc2ccc(N3CC[NH+](C4CC4)CC3)cc2)ccc1=O ZINC000058305337 535154313 /nfs/dbraw/zinc/15/43/13/535154313.db2.gz KCPIISSBHINQGZ-UHFFFAOYSA-N 1 0 395.507 2.580 50 0 GFAARO CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)ncn1 ZINC000065245010 535521415 /nfs/dbraw/zinc/52/14/15/535521415.db2.gz PFZIMRSKCBKQAP-MSOLQXFVSA-N 1 0 388.560 2.506 50 0 GFAARO CC[NH+]1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441812 551115658 /nfs/dbraw/zinc/11/56/58/551115658.db2.gz UOIPUVKKBLCBKB-MSOLQXFVSA-N 1 0 385.961 2.567 50 0 GFAARO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H]1C ZINC000170599726 551635890 /nfs/dbraw/zinc/63/58/90/551635890.db2.gz ABAQACVEQNENAL-OLZOCXBDSA-N 1 0 387.933 2.649 50 0 GFAARO O=S(=O)(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)s1 ZINC000225572880 553059799 /nfs/dbraw/zinc/05/97/99/553059799.db2.gz GSZTWBZFFMIRHZ-LBPRGKRZSA-N 1 0 380.988 2.897 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237456126 553078186 /nfs/dbraw/zinc/07/81/86/553078186.db2.gz MOYFLEUMNBMJNY-STQMWFEESA-N 1 0 377.286 2.834 50 0 GFAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000237706655 553080606 /nfs/dbraw/zinc/08/06/06/553080606.db2.gz PJWJSIZKLICXAF-QMMMGPOBSA-N 1 0 385.686 2.520 50 0 GFAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)c(C)c1Br ZINC000237658768 553080677 /nfs/dbraw/zinc/08/06/77/553080677.db2.gz HHDRUDUEDAKSQG-OAHLLOKOSA-N 1 0 377.286 2.815 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000370798294 563255370 /nfs/dbraw/zinc/25/53/70/563255370.db2.gz LNDIEROBRWMQJU-SGMGOOAPSA-N 1 0 384.307 2.932 50 0 GFAARO C[C@@H]([NH2+]C1(CNc2cc(Br)cnn2)CCOCC1)c1ccccc1 ZINC000585098407 565103768 /nfs/dbraw/zinc/10/37/68/565103768.db2.gz RUMZWDOWNLKBOX-CQSZACIVSA-N 1 0 391.313 2.973 50 0 GFAARO Cc1cccc(CN2CCC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000019773509 570218023 /nfs/dbraw/zinc/21/80/23/570218023.db2.gz QBVYLUBEXKSTTC-DEOSSOPVSA-N 1 0 393.531 2.671 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)[NH+](C)C)cc1 ZINC000048290658 570229239 /nfs/dbraw/zinc/22/92/39/570229239.db2.gz GFZGAXBFILGVJY-OAQYLSRUSA-N 1 0 392.503 2.722 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN3CCSC3=O)cc2)C1 ZINC000048310368 570233090 /nfs/dbraw/zinc/23/30/90/570233090.db2.gz JKTKIYZPFAXCQE-IYBDPMFKSA-N 1 0 375.538 2.950 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)cc1 ZINC000019972530 570233612 /nfs/dbraw/zinc/23/36/12/570233612.db2.gz DOECSZDLQFTPSZ-SFHVURJKSA-N 1 0 385.851 2.763 50 0 GFAARO Cc1cccc2ncc(C(=O)NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)c(=O)n12 ZINC000097301388 570240865 /nfs/dbraw/zinc/24/08/65/570240865.db2.gz UUOVRPMGZTVZAW-LJQANCHMSA-N 1 0 390.487 2.612 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OCC)cc2)C3)CC1 ZINC000015779569 570243802 /nfs/dbraw/zinc/24/38/02/570243802.db2.gz ZZYQTWBRMVHJII-UHFFFAOYSA-N 1 0 395.551 2.966 50 0 GFAARO COCC[N@@H+]1CCC[C@@H](CN(C)c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000097547745 570246100 /nfs/dbraw/zinc/24/61/00/570246100.db2.gz MPDUBDSCJWBPBJ-KRWDZBQOSA-N 1 0 382.508 2.754 50 0 GFAARO CC1(C)CC(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000097797579 570256501 /nfs/dbraw/zinc/25/65/01/570256501.db2.gz BTEICSVJMPWXHZ-SFHVURJKSA-N 1 0 375.488 2.772 50 0 GFAARO CC(=O)c1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cs1 ZINC000104473584 570259147 /nfs/dbraw/zinc/25/91/47/570259147.db2.gz NCULOWVFXIKVLA-HXUWFJFHSA-N 1 0 393.597 2.692 50 0 GFAARO CN1CCN([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2O)CC1 ZINC000020600579 570269935 /nfs/dbraw/zinc/26/99/35/570269935.db2.gz KETKVKNVIVEBNR-NHCUHLMSSA-N 1 0 379.504 2.769 50 0 GFAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100823377 570278169 /nfs/dbraw/zinc/27/81/69/570278169.db2.gz CUPPBXSBGNDUNR-MRXNPFEDSA-N 1 0 389.249 2.879 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000022190541 570306883 /nfs/dbraw/zinc/30/68/83/570306883.db2.gz FVRYLUVGDJQGTR-KRWDZBQOSA-N 1 0 395.503 2.959 50 0 GFAARO C[NH+]1CCC(C(=O)NC(C)(C)C)(N(C=O)CCc2c[nH]c3ccccc23)CC1 ZINC000575443893 570315046 /nfs/dbraw/zinc/31/50/46/570315046.db2.gz SSYCSLPPIFUYSP-UHFFFAOYSA-N 1 0 384.524 2.548 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1cccc(F)c1 ZINC000022754674 570326306 /nfs/dbraw/zinc/32/63/06/570326306.db2.gz KJRVWWSSPIJYJQ-GOSISDBHSA-N 1 0 385.439 2.933 50 0 GFAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000022771679 570326669 /nfs/dbraw/zinc/32/66/69/570326669.db2.gz DYQIKMYZECAAAG-JOCHJYFZSA-N 1 0 393.531 2.689 50 0 GFAARO Cc1ccc(-n2cc(C3=CCN(CC(=O)NC[C@H]4CCCO4)CC3)cn2)cc1C ZINC000035403536 570350836 /nfs/dbraw/zinc/35/08/36/570350836.db2.gz PCJJJDQDBZOSMO-JOCHJYFZSA-N 1 0 394.519 2.873 50 0 GFAARO COC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(N3CCN(C)C3=O)cc2)CC1 ZINC000023312182 570354667 /nfs/dbraw/zinc/35/46/67/570354667.db2.gz DIGZVMJEAMYYTO-DYESRHJHSA-N 1 0 386.540 2.932 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000035430483 570356500 /nfs/dbraw/zinc/35/65/00/570356500.db2.gz UVBFUBHAQZGKHB-UHFFFAOYSA-N 1 0 388.537 2.631 50 0 GFAARO CC(=O)[C@H]1CC(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)=NN1c1ccccc1 ZINC000229773163 570378272 /nfs/dbraw/zinc/37/82/72/570378272.db2.gz LRRWRQSKOUHGAF-DYESRHJHSA-N 1 0 384.524 2.839 50 0 GFAARO O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849852 570378426 /nfs/dbraw/zinc/37/84/26/570378426.db2.gz DIRZDXUOSTZEIU-DNVCBOLYSA-N 1 0 375.419 2.969 50 0 GFAARO O=C(NCc1csc(-c2cnccn2)n1)C1CC[NH+](Cc2ccco2)CC1 ZINC000220185429 570383578 /nfs/dbraw/zinc/38/35/78/570383578.db2.gz SJLWZIYCCVVCEI-UHFFFAOYSA-N 1 0 383.477 2.722 50 0 GFAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)o1 ZINC000005042723 570404991 /nfs/dbraw/zinc/40/49/91/570404991.db2.gz CXLWDMDPHUKMBH-UHFFFAOYSA-N 1 0 390.505 2.778 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000025332037 570411469 /nfs/dbraw/zinc/41/14/69/570411469.db2.gz GXERFDZJDDMCOE-HOCLYGCPSA-N 1 0 375.494 2.612 50 0 GFAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](O)c1ccccc1 ZINC000043492339 570415277 /nfs/dbraw/zinc/41/52/77/570415277.db2.gz FVOYFDJHOJREMR-UTKZUKDTSA-N 1 0 399.491 2.881 50 0 GFAARO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CC[NH+](C)CC2)cc1OC ZINC000005241133 570432441 /nfs/dbraw/zinc/43/24/41/570432441.db2.gz QQSWFQDSGSIMIS-UHFFFAOYSA-N 1 0 381.480 2.782 50 0 GFAARO CCOc1ccc([C@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cc1F ZINC000244794824 570433633 /nfs/dbraw/zinc/43/36/33/570433633.db2.gz QUMRPAIVLCKDQV-AEGPPILISA-N 1 0 375.448 2.749 50 0 GFAARO CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000027499210 570434869 /nfs/dbraw/zinc/43/48/69/570434869.db2.gz HTKHCJJFWUELCC-LJQANCHMSA-N 1 0 399.491 2.752 50 0 GFAARO CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035855757 570465519 /nfs/dbraw/zinc/46/55/19/570465519.db2.gz CMYPWYFYCZTSCH-ORYQWCPZSA-N 1 0 379.504 2.719 50 0 GFAARO COc1ccc(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000029159150 570469365 /nfs/dbraw/zinc/46/93/65/570469365.db2.gz KOQYRJHQPUIPOI-UHFFFAOYSA-N 1 0 399.510 2.701 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)[nH]c2c3c(cccc3F)nn2c1=O ZINC000252522887 570476781 /nfs/dbraw/zinc/47/67/81/570476781.db2.gz BIWJHTPQZMKHKZ-AWEZNQCLSA-N 1 0 399.470 2.569 50 0 GFAARO COc1cccc(OC[C@@H]2CCCN(C(=O)NCCC[NH+]3CCCC3)C2)c1 ZINC000426627693 570502529 /nfs/dbraw/zinc/50/25/29/570502529.db2.gz LXLWJVTVALRHOL-GOSISDBHSA-N 1 0 375.513 2.982 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000032960877 570531419 /nfs/dbraw/zinc/53/14/19/570531419.db2.gz ZFBHNKADFANSTR-KXBFYZLASA-N 1 0 384.480 2.624 50 0 GFAARO C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000072309747 570533300 /nfs/dbraw/zinc/53/33/00/570533300.db2.gz ARYFRYCROXVAEX-GOSISDBHSA-N 1 0 397.523 2.933 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1C ZINC000036095702 570534961 /nfs/dbraw/zinc/53/49/61/570534961.db2.gz WIWJJKIUBDSHIF-IBGZPJMESA-N 1 0 389.492 2.901 50 0 GFAARO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1 ZINC000036101687 570538424 /nfs/dbraw/zinc/53/84/24/570538424.db2.gz PQMJVBDUCNVJPC-JOCHJYFZSA-N 1 0 384.520 2.569 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782456 570589619 /nfs/dbraw/zinc/58/96/19/570589619.db2.gz PMKJKWKDGBZCCA-INIZCTEOSA-N 1 0 398.482 2.774 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919446 570590489 /nfs/dbraw/zinc/59/04/89/570590489.db2.gz GGPFSLYNLAKWPP-UHFFFAOYSA-N 1 0 379.439 2.899 50 0 GFAARO Cc1c(C(=O)NCC[NH+]2CCCC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012048141 570600446 /nfs/dbraw/zinc/60/04/46/570600446.db2.gz ZSPJLYWJMPGUSJ-UHFFFAOYSA-N 1 0 394.454 2.602 50 0 GFAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[C@H](C)[NH+]3CCCC3)CC2)[nH]1 ZINC000033024371 570652838 /nfs/dbraw/zinc/65/28/38/570652838.db2.gz CGZAESWXEPPUGR-SFHVURJKSA-N 1 0 388.556 2.864 50 0 GFAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1 ZINC000033024390 570653236 /nfs/dbraw/zinc/65/32/36/570653236.db2.gz MHEKSMQXMBWOMD-UHFFFAOYSA-N 1 0 376.545 2.640 50 0 GFAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012410020 570655641 /nfs/dbraw/zinc/65/56/41/570655641.db2.gz LFCGHACAQHWVCF-ZDUSSCGKSA-N 1 0 385.430 2.762 50 0 GFAARO C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000229764581 570666579 /nfs/dbraw/zinc/66/65/79/570666579.db2.gz IIQJQXAGHGWZPW-NYUBLWNDSA-N 1 0 385.552 2.943 50 0 GFAARO Cc1ccc(-c2cc(CN3CC[N@H+](C)[C@]4(C3)CCC(=O)N(C)CC4)on2)cc1 ZINC000230177619 570668270 /nfs/dbraw/zinc/66/82/70/570668270.db2.gz UDZGMWVIMMHHMG-JOCHJYFZSA-N 1 0 382.508 2.779 50 0 GFAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000012471255 570672860 /nfs/dbraw/zinc/67/28/60/570672860.db2.gz ILSFCUWPVWVOPY-UHFFFAOYSA-N 1 0 384.480 2.960 50 0 GFAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1=O ZINC000012472986 570673222 /nfs/dbraw/zinc/67/32/22/570673222.db2.gz LKLGCUJCDPUYIL-OAHLLOKOSA-N 1 0 387.480 2.967 50 0 GFAARO Cc1ccn(CCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 ZINC000055037011 570679455 /nfs/dbraw/zinc/67/94/55/570679455.db2.gz HOJVLPVWXQGNDN-OAQYLSRUSA-N 1 0 395.551 2.703 50 0 GFAARO O=C(CCN1CC[N@H+](CC2CC2)[C@@H](CCO)C1)Nc1cccc2ccccc21 ZINC000244817020 570697274 /nfs/dbraw/zinc/69/72/74/570697274.db2.gz SSXBSOVBYKLSGS-FQEVSTJZSA-N 1 0 381.520 2.947 50 0 GFAARO CC[NH+](CC)CCCNC(=O)Cc1cc(OC)c(OC)cc1Br ZINC000006938470 570712816 /nfs/dbraw/zinc/71/28/16/570712816.db2.gz DVSHPNONIPRAEH-UHFFFAOYSA-N 1 0 387.318 2.857 50 0 GFAARO CCCC[NH+]1CCN(C(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274443 570776956 /nfs/dbraw/zinc/77/69/56/570776956.db2.gz UWPDFZATCZAMBC-UHFFFAOYSA-N 1 0 393.491 2.963 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583648152 570804555 /nfs/dbraw/zinc/80/45/55/570804555.db2.gz KGSLGCYRLICMDI-UYAOXDASSA-N 1 0 399.539 2.564 50 0 GFAARO COc1cccc(N2CCN(C(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000033128927 570817872 /nfs/dbraw/zinc/81/78/72/570817872.db2.gz LYLBKZDIWAVJPS-UHFFFAOYSA-N 1 0 380.492 2.655 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000060489844 570827687 /nfs/dbraw/zinc/82/76/87/570827687.db2.gz ORKFZFIDOVTHAI-GJZGRUSLSA-N 1 0 384.446 2.917 50 0 GFAARO COc1cccc([C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)[NH+](C)C)c1 ZINC000037127570 570840483 /nfs/dbraw/zinc/84/04/83/570840483.db2.gz HDVKXMAFXHYIQX-IBGZPJMESA-N 1 0 384.476 2.818 50 0 GFAARO CCOc1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)ccc1O ZINC000014537218 570848705 /nfs/dbraw/zinc/84/87/05/570848705.db2.gz NAXQDDRMJKPVLU-UHFFFAOYSA-N 1 0 389.496 2.676 50 0 GFAARO COc1ccc([C@@H](CN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)[NH+](C)C)cc1 ZINC000170613692 570870930 /nfs/dbraw/zinc/87/09/30/570870930.db2.gz USOXKHBRWBJRLW-VQTJNVASSA-N 1 0 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221132802 /nfs/dbraw/zinc/13/28/02/221132802.db2.gz ONGXFJFAEBXGSY-GOSISDBHSA-N 1 0 381.524 2.912 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)c1 ZINC000011697858 221122961 /nfs/dbraw/zinc/12/29/61/221122961.db2.gz VEOPKKLTCVBTTQ-UHFFFAOYSA-N 1 0 398.492 2.622 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNC(=O)c3cccc(C)c3)cc2)CC1 ZINC000011944410 221141281 /nfs/dbraw/zinc/14/12/81/221141281.db2.gz CCFVYNCELUJOSU-UHFFFAOYSA-N 1 0 394.519 2.896 50 0 GFAARO O=C(NCc1scnc1-c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012072849 221147266 /nfs/dbraw/zinc/14/72/66/221147266.db2.gz LAOZBMQYOZHEBX-UHFFFAOYSA-N 1 0 396.520 2.818 50 0 GFAARO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000012297028 221175933 /nfs/dbraw/zinc/17/59/33/221175933.db2.gz QTHSGOGNRLVJEF-QFBILLFUSA-N 1 0 384.476 2.861 50 0 GFAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1C ZINC000012301374 221177905 /nfs/dbraw/zinc/17/79/05/221177905.db2.gz PARGLWGCCKKSMH-KRWDZBQOSA-N 1 0 378.480 2.765 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/nfs/dbraw/zinc/31/60/64/221316064.db2.gz BHLKZJTWMQXVLR-UHFFFAOYSA-N 1 0 396.491 2.926 50 0 GFAARO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)N2CCCC2)C1 ZINC000014752875 221316136 /nfs/dbraw/zinc/31/61/36/221316136.db2.gz YVOIIGWYDLJALS-SJORKVTESA-N 1 0 375.488 2.981 50 0 GFAARO O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000014961476 221320114 /nfs/dbraw/zinc/32/01/14/221320114.db2.gz OOWPEAYHAVNBJJ-UHFFFAOYSA-N 1 0 385.487 2.946 50 0 GFAARO Cc1nonc1CNC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C ZINC000014955965 221320769 /nfs/dbraw/zinc/32/07/69/221320769.db2.gz NTMDUOYQSMSMJJ-UHFFFAOYSA-N 1 0 380.448 2.802 50 0 GFAARO COc1ccccc1CN(C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000015296345 221334325 /nfs/dbraw/zinc/33/43/25/221334325.db2.gz RQYXMSQAICFNPG-UHFFFAOYSA-N 1 0 384.476 2.729 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc(F)c4)C3=O)c2c1 ZINC000018088221 221387154 /nfs/dbraw/zinc/38/71/54/221387154.db2.gz GHTLPNWVPFZSPB-LJQANCHMSA-N 1 0 381.407 2.780 50 0 GFAARO Cc1cc(Br)ccc1OCC(=O)N1CCN(c2ccccn2)CC1 ZINC000018220290 221389803 /nfs/dbraw/zinc/38/98/03/221389803.db2.gz QZIGSUOXYPGXMV-UHFFFAOYSA-N 1 0 390.281 2.880 50 0 GFAARO O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000064818103 136157912 /nfs/dbraw/zinc/15/79/12/136157912.db2.gz BXWBIPJPZKKKSU-UHFFFAOYSA-N 1 0 380.467 2.702 50 0 GFAARO CCN(Cc1nc2nc(C)cc(N3CC[NH+](CC)CC3)n2n1)Cc1ccccc1 ZINC000065311636 136163178 /nfs/dbraw/zinc/16/31/78/136163178.db2.gz VHLNNALIJKEYCJ-UHFFFAOYSA-N 1 0 393.539 2.597 50 0 GFAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000090607834 136176141 /nfs/dbraw/zinc/17/61/41/136176141.db2.gz ARGWTNASUHEZSU-UHFFFAOYSA-N 1 0 379.439 2.606 50 0 GFAARO COc1cccc(N2CCC([N@@H+]3CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C3)CC2)c1 ZINC000091474515 136176536 /nfs/dbraw/zinc/17/65/36/136176536.db2.gz LMDOACFHQYEYLW-UTKZUKDTSA-N 1 0 389.540 2.781 50 0 GFAARO OCC[C@@H]1CN(c2nc3ccccc3cc2CO)CC[N@@H+]1Cc1ccccc1 ZINC000106986114 136191658 /nfs/dbraw/zinc/19/16/58/136191658.db2.gz QSFORWDNUPNQGB-OAQYLSRUSA-N 1 0 377.488 2.800 50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1C1Cc2ccccc2C1 ZINC000023158315 221586829 /nfs/dbraw/zinc/58/68/29/221586829.db2.gz DRDCAZBCYKNDES-SNLKWHCQSA-N 1 0 393.575 2.757 50 0 GFAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944774 221755562 /nfs/dbraw/zinc/75/55/62/221755562.db2.gz BARLNIDZLKMLSY-CYBMUJFWSA-N 1 0 398.429 2.824 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060341 221769268 /nfs/dbraw/zinc/76/92/68/221769268.db2.gz UOFHJGATXNAVSG-UHFFFAOYSA-N 1 0 393.900 2.660 50 0 GFAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074140 221996228 /nfs/dbraw/zinc/99/62/28/221996228.db2.gz PGFNWMGDSOZUNF-HXUWFJFHSA-N 1 0 389.515 2.915 50 0 GFAARO Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2cc1C ZINC000051086213 222004512 /nfs/dbraw/zinc/00/45/12/222004512.db2.gz GFSRYRKEFXKCRO-OAQYLSRUSA-N 1 0 378.520 2.832 50 0 GFAARO C[C@@H](CNC(=O)CCNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000053026180 222007892 /nfs/dbraw/zinc/00/78/92/222007892.db2.gz WTLVRWFXJTWRDE-INIZCTEOSA-N 1 0 383.467 2.509 50 0 GFAARO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2cnc(-c3cccc(C)c3)nc2)CC1 ZINC000055309112 222020031 /nfs/dbraw/zinc/02/00/31/222020031.db2.gz CXGXOAACLGPFKM-QGZVFWFLSA-N 1 0 382.508 2.815 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)c1ccco1 ZINC000058279111 222046867 /nfs/dbraw/zinc/04/68/67/222046867.db2.gz XQLPFTNSZBQEDK-QAPCUYQASA-N 1 0 375.469 2.826 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000064892535 222086504 /nfs/dbraw/zinc/08/65/04/222086504.db2.gz MIDFWJQONJTZGU-OAHLLOKOSA-N 1 0 399.582 2.527 50 0 GFAARO CC(C)Cn1c(=O)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2cccnc21 ZINC000065282849 222121102 /nfs/dbraw/zinc/12/11/02/222121102.db2.gz BYUBFDLRSBNBIZ-UHFFFAOYSA-N 1 0 397.523 2.538 50 0 GFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000065329685 222123115 /nfs/dbraw/zinc/12/31/15/222123115.db2.gz OLDCJRYPSNYKGB-UHFFFAOYSA-N 1 0 396.491 2.816 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065516011 222133708 /nfs/dbraw/zinc/13/37/08/222133708.db2.gz ZZUVFHRDCSSFKF-GASCZTMLSA-N 1 0 381.467 2.802 50 0 GFAARO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065513841 222133718 /nfs/dbraw/zinc/13/37/18/222133718.db2.gz CLSFJPDGCPYCCP-RTBURBONSA-N 1 0 377.488 2.889 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH+]3CCC(C)(C)CC3)C2=O)c1OC ZINC000067675566 222153515 /nfs/dbraw/zinc/15/35/15/222153515.db2.gz DJHSRIHXJQEWHT-QFIPXVFZSA-N 1 0 390.524 2.679 50 0 GFAARO COc1ccc(-c2nc(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)c(C)o2)c2ccccc12 ZINC000067712962 222155899 /nfs/dbraw/zinc/15/58/99/222155899.db2.gz CJAXMXBOJOKJTJ-PMACEKPBSA-N 1 0 381.476 2.919 50 0 GFAARO O=C1N[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067817795 222161767 /nfs/dbraw/zinc/16/17/67/222161767.db2.gz RCEAZYIRWBQRRO-QHCPKHFHSA-N 1 0 392.503 2.895 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+]3CCC4(CCCC4)C3)C2=O)c1 ZINC000067851755 222162712 /nfs/dbraw/zinc/16/27/12/222162712.db2.gz BBJDILQRHMBNOV-QFIPXVFZSA-N 1 0 390.499 2.954 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCN3CCCCC3)C2=O)cc1 ZINC000067851403 222163282 /nfs/dbraw/zinc/16/32/82/222163282.db2.gz OFPPFISPDJHSKU-QHCPKHFHSA-N 1 0 387.568 2.739 50 0 GFAARO COc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc(Cl)c1OCC(N)=O ZINC000068984980 222173718 /nfs/dbraw/zinc/17/37/18/222173718.db2.gz TZIMVEJOABKUIC-OAHLLOKOSA-N 1 0 394.830 2.965 50 0 GFAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(CC(F)F)CC2)C1 ZINC000071753968 222191425 /nfs/dbraw/zinc/19/14/25/222191425.db2.gz DGEAYEMAPSIMFA-GOSISDBHSA-N 1 0 379.495 2.787 50 0 GFAARO O=C(c1cccs1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071752195 222192547 /nfs/dbraw/zinc/19/25/47/222192547.db2.gz IRIXKBIKZUMGJJ-MRXNPFEDSA-N 1 0 375.538 2.687 50 0 GFAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071760149 222193578 /nfs/dbraw/zinc/19/35/78/222193578.db2.gz ONNMRQKTFHFIFJ-GOSISDBHSA-N 1 0 399.564 2.531 50 0 GFAARO c1ccc(CCCc2noc(-c3ccc(N4C[C@H]5C[NH2+]C[C@H]5C4)nc3)n2)cc1 ZINC000072128170 222209587 /nfs/dbraw/zinc/20/95/87/222209587.db2.gz IXPCOSKEZGLBGE-KDURUIRLSA-N 1 0 375.476 2.963 50 0 GFAARO O=C(CCSCc1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072133675 222210781 /nfs/dbraw/zinc/21/07/81/222210781.db2.gz RPFSKKRWCRKABC-LJQANCHMSA-N 1 0 380.529 2.897 50 0 GFAARO CSc1ccccc1C[N@@H+]1CCC[C@@](O)(CNC(=O)N2CCCC2)CC1 ZINC000072137050 222210967 /nfs/dbraw/zinc/21/09/67/222210967.db2.gz IEDSZPGWOMDJHR-FQEVSTJZSA-N 1 0 377.554 2.931 50 0 GFAARO CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)[C@H]1C[NH2+]CCO1 ZINC000072157812 222212105 /nfs/dbraw/zinc/21/21/05/222212105.db2.gz UVPAFBKVFKJABH-JOCHJYFZSA-N 1 0 379.504 2.760 50 0 GFAARO c1c(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nn2c1C[NH2+]CC2 ZINC000072151632 222212500 /nfs/dbraw/zinc/21/25/00/222212500.db2.gz SRHSHSHPUJAWMD-UHFFFAOYSA-N 1 0 376.508 2.680 50 0 GFAARO C[NH+](C)CCCOC1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000072313224 222224931 /nfs/dbraw/zinc/22/49/31/222224931.db2.gz VZEYYRQIMCCNRG-UHFFFAOYSA-N 1 0 392.525 2.690 50 0 GFAARO CC(C)Cc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)n(C)n1 ZINC000072408519 222255095 /nfs/dbraw/zinc/25/50/95/222255095.db2.gz JLKWDFDWZRPUBQ-NRFANRHFSA-N 1 0 380.536 2.934 50 0 GFAARO Cn1c(=O)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000072404749 222255440 /nfs/dbraw/zinc/25/54/40/222255440.db2.gz NZOWOKFKBPLTEC-UHFFFAOYSA-N 1 0 375.472 2.933 50 0 GFAARO Cc1cc(C)cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000072463458 222262803 /nfs/dbraw/zinc/26/28/03/222262803.db2.gz ITHSHNWKGIUCRK-QFIPXVFZSA-N 1 0 387.568 2.685 50 0 GFAARO C[C@H]([NH3+])C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000095497128 222332605 /nfs/dbraw/zinc/33/26/05/222332605.db2.gz AKBVNLZZPCEIHD-SFHVURJKSA-N 1 0 385.552 2.834 50 0 GFAARO COc1c[nH]c(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509261 222340084 /nfs/dbraw/zinc/34/00/84/222340084.db2.gz HWJRMWDPSXFKPL-QGZVFWFLSA-N 1 0 387.499 2.909 50 0 GFAARO COC(=O)c1ccc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000077171654 222273904 /nfs/dbraw/zinc/27/39/04/222273904.db2.gz AXZADKYIDBHWNR-FQEVSTJZSA-N 1 0 379.460 2.998 50 0 GFAARO c1cn(C2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2cnc(N3CCCC3)nc2)n1 ZINC000077320121 222277229 /nfs/dbraw/zinc/27/72/29/222277229.db2.gz SFNFQIMWXMDKRH-IBGZPJMESA-N 1 0 382.512 2.756 50 0 GFAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 ZINC000078718457 222296051 /nfs/dbraw/zinc/29/60/51/222296051.db2.gz NTMFIMZXUBLACN-RBUKOAKNSA-N 1 0 377.573 2.994 50 0 GFAARO O=C(C1CCCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082086757 222309271 /nfs/dbraw/zinc/30/92/71/222309271.db2.gz MMFAFUITJVJNAN-IBGZPJMESA-N 1 0 375.557 2.892 50 0 GFAARO O[C@H](COc1cccc(C[NH+]2CCCCCCCC2)c1)CN1CCOCC1 ZINC000095521675 222347448 /nfs/dbraw/zinc/34/74/48/222347448.db2.gz MTZCMVMCKRXYGS-NRFANRHFSA-N 1 0 376.541 2.915 50 0 GFAARO CC(C)(C(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1)[NH+]1CCCC1 ZINC000095522190 222348120 /nfs/dbraw/zinc/34/81/20/222348120.db2.gz ZRHXAHRQHWIFHE-IBGZPJMESA-N 1 0 385.508 2.563 50 0 GFAARO COc1ccc(CN2CCC(F)(F)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095523983 222348395 /nfs/dbraw/zinc/34/83/95/222348395.db2.gz ZGYULKKPIDTRJB-QGZVFWFLSA-N 1 0 384.467 2.762 50 0 GFAARO C[N@H+](CC(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527533 222350188 /nfs/dbraw/zinc/35/01/88/222350188.db2.gz ZPZRCGBRCMHGRB-INIZCTEOSA-N 1 0 387.553 2.968 50 0 GFAARO CC[N@@H+]1CCC[C@H]1Cn1c2ccc(C(=O)OC)cc2n(Cc2ccccn2)c1=O ZINC000095528826 222353730 /nfs/dbraw/zinc/35/37/30/222353730.db2.gz PAAXIHXJXANBPF-SFHVURJKSA-N 1 0 394.475 2.517 50 0 GFAARO CCOc1ncccc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013560 222371819 /nfs/dbraw/zinc/37/18/19/222371819.db2.gz DEAWWIKOPVZFGN-FXAWDEMLSA-N 1 0 399.491 2.996 50 0 GFAARO C[N@@H+]1CCCN(Cc2nc(-c3ccncc3)nn2CCc2ccccc2)CC1 ZINC000096141729 222388271 /nfs/dbraw/zinc/38/82/71/222388271.db2.gz RFKYONXJRMPYDT-UHFFFAOYSA-N 1 0 376.508 2.720 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCC[NH+]3CCCC3)csc2C1 ZINC000426662446 534361872 /nfs/dbraw/zinc/36/18/72/534361872.db2.gz QGUUKFNZBLZSOY-UHFFFAOYSA-N 1 0 388.537 2.737 50 0 GFAARO O=C(Nc1ccccc1O)C1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000015043891 534399075 /nfs/dbraw/zinc/39/90/75/534399075.db2.gz PVYSSOKJJWEKLN-UHFFFAOYSA-N 1 0 394.475 2.776 50 0 GFAARO CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426383369 528086534 /nfs/dbraw/zinc/08/65/34/528086534.db2.gz UVCZNTUKOVJBDZ-NRFANRHFSA-N 1 0 393.478 2.648 50 0 GFAARO CCNC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2)s1 ZINC000426394759 528228863 /nfs/dbraw/zinc/22/88/63/528228863.db2.gz XJFNAJRZKNVEBB-QGZVFWFLSA-N 1 0 383.517 2.989 50 0 GFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000426571664 529072712 /nfs/dbraw/zinc/07/27/12/529072712.db2.gz SBJYFVLDJPAXEZ-QGZVFWFLSA-N 1 0 380.483 2.522 50 0 GFAARO CC(C)N1C[C@@H](CNC(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000426497351 529092564 /nfs/dbraw/zinc/09/25/64/529092564.db2.gz ZCVYXSPOERHBJT-LJQANCHMSA-N 1 0 386.540 2.549 50 0 GFAARO CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+]3CCCCC3)C2)ncn1 ZINC000065245126 535520647 /nfs/dbraw/zinc/52/06/47/535520647.db2.gz HDAVCEHAYSBFRG-GOSISDBHSA-N 1 0 388.560 2.507 50 0 GFAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000095526808 536019823 /nfs/dbraw/zinc/01/98/23/536019823.db2.gz ASWNVBIEVADZRZ-UHFFFAOYSA-N 1 0 377.496 2.891 50 0 GFAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(Br)c(C=O)n1C ZINC000195530499 553050906 /nfs/dbraw/zinc/05/09/06/553050906.db2.gz RKXZVTBRIMPSPC-UPJWGTAASA-N 1 0 384.318 2.696 50 0 GFAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000253430849 553151471 /nfs/dbraw/zinc/15/14/71/553151471.db2.gz MBEQOAGNOIHSSM-WWGRRREGSA-N 1 0 383.334 2.821 50 0 GFAARO CCC1(CC)CN(C(=O)c2cn(CC[NH3+])nn2)c2ccc(Br)cc21 ZINC000563450451 564192629 /nfs/dbraw/zinc/19/26/29/564192629.db2.gz RTSNLFQXKYTBOB-UHFFFAOYSA-N 1 0 392.301 2.718 50 0 GFAARO Cc1nccn1Cc1nnc(C2CC[NH+](C3Cc4ccccc4C3)CC2)n1C ZINC000096132587 570211515 /nfs/dbraw/zinc/21/15/15/570211515.db2.gz CXHKDPIOTXFAPN-UHFFFAOYSA-N 1 0 376.508 2.715 50 0 GFAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CC)CC1)C[C@@H](C)CC2 ZINC000019792109 570219412 /nfs/dbraw/zinc/21/94/12/570219412.db2.gz SFTUPUGBURZIJK-AWEZNQCLSA-N 1 0 393.553 2.626 50 0 GFAARO O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CC[NH2+]CC1)c1ccccc1 ZINC000019810997 570221168 /nfs/dbraw/zinc/22/11/68/570221168.db2.gz DFHHBGRWPZJXGB-FGZHOGPDSA-N 1 0 393.512 2.819 50 0 GFAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000048260852 570224170 /nfs/dbraw/zinc/22/41/70/570224170.db2.gz LKBAAIMXSAOQAA-JOCHJYFZSA-N 1 0 382.504 2.593 50 0 GFAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000019881460 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GFAARO C[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025636774 570417409 /nfs/dbraw/zinc/41/74/09/570417409.db2.gz KUIGVGHYFUKDIP-KRWDZBQOSA-N 1 0 377.488 2.990 50 0 GFAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000025721198 570418563 /nfs/dbraw/zinc/41/85/63/570418563.db2.gz NAOFEPNTXGKARV-AUSIDOKSSA-N 1 0 382.504 2.969 50 0 GFAARO O=C(c1cn(Cc2ccccc2)nn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000026357917 570424771 /nfs/dbraw/zinc/42/47/71/570424771.db2.gz SPDZCAKVJWVRHO-UHFFFAOYSA-N 1 0 375.476 2.675 50 0 GFAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000070173474 570468265 /nfs/dbraw/zinc/46/82/65/570468265.db2.gz RUAQCFIYLGHWAB-ZJUUUORDSA-N 1 0 381.723 2.850 50 0 GFAARO Cc1ccc(CN2C[C@@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2=O)cc1 ZINC000035982378 570501640 /nfs/dbraw/zinc/50/16/40/570501640.db2.gz XSSZHBNMOCMNLT-ZWKOTPCHSA-N 1 0 385.533 2.824 50 0 GFAARO Cc1ccccc1OC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036031318 570517684 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GFAARO COC(=O)c1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000036385654 570564598 /nfs/dbraw/zinc/56/45/98/570564598.db2.gz HUTXIKDFPYKCCC-JOCHJYFZSA-N 1 0 382.504 2.585 50 0 GFAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000005413638 570588272 /nfs/dbraw/zinc/58/82/72/570588272.db2.gz BOOCVYNAIUOAHD-JFIYKMOQSA-N 1 0 394.537 2.604 50 0 GFAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1=O ZINC000012472992 570673250 /nfs/dbraw/zinc/67/32/50/570673250.db2.gz LKLGCUJCDPUYIL-HNNXBMFYSA-N 1 0 387.480 2.967 50 0 GFAARO CCNC(=O)[C@@H](C)N1c2ccccc2NC2(CC[NH+](CCC(C)C)CC2)C1=O ZINC000055153208 570684485 /nfs/dbraw/zinc/68/44/85/570684485.db2.gz ZMWJOAAEKQAKNK-QGZVFWFLSA-N 1 0 386.540 2.850 50 0 GFAARO C[C@H](O)c1ncc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000241862556 570687995 /nfs/dbraw/zinc/68/79/95/570687995.db2.gz SRARNODOLXSHSZ-STQMWFEESA-N 1 0 392.500 2.578 50 0 GFAARO COCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055385267 570693956 /nfs/dbraw/zinc/69/39/56/570693956.db2.gz SCSYVCKGVWLWES-GOSISDBHSA-N 1 0 399.457 2.855 50 0 GFAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCc4ccco4)c(C)c32)CC1 ZINC000033048368 570699669 /nfs/dbraw/zinc/69/96/69/570699669.db2.gz CJADKMTWMOOSSR-UHFFFAOYSA-N 1 0 399.520 2.707 50 0 GFAARO CC(C)n1c(CN2CCC(C(=O)N3CCN(C)CC3)CC2)nc2ccccc21 ZINC000248156197 570721393 /nfs/dbraw/zinc/72/13/93/570721393.db2.gz VSCIDKDMWJFHPB-UHFFFAOYSA-N 1 0 383.540 2.603 50 0 GFAARO [NH3+][C@H]1C[C@H](c2cc(NCCc3nc4ccccc4c(=O)[nH]3)nc(C3CC3)n2)C1 ZINC000253534848 570733562 /nfs/dbraw/zinc/73/35/62/570733562.db2.gz LFDZZZGLIJHWGQ-HDJSIYSDSA-N 1 0 376.464 2.862 50 0 GFAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000062647526 570746136 /nfs/dbraw/zinc/74/61/36/570746136.db2.gz IFFQSZNVSIMOPX-ZBFHGGJFSA-N 1 0 395.345 2.669 50 0 GFAARO COc1ccc(-c2csc(NC(=O)CSc3nc(N)cc(N)[nH+]3)n2)cc1 ZINC000004413403 570748777 /nfs/dbraw/zinc/74/87/77/570748777.db2.gz BSCUDXZBCISPRW-UHFFFAOYSA-N 1 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CCOc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000299771338 570893987 /nfs/dbraw/zinc/89/39/87/570893987.db2.gz WMQQYUUOAGBVNJ-SFHVURJKSA-N 1 0 376.497 2.857 50 0 GFAARO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097162458 570901041 /nfs/dbraw/zinc/90/10/41/570901041.db2.gz MPJJUHGQDOUXGF-PMPSAXMXSA-N 1 0 393.532 2.680 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(O)(c2cccnc2)CC1)c1ccco1 ZINC000534578496 570902058 /nfs/dbraw/zinc/90/20/58/570902058.db2.gz BFWZXWUQHAEJGZ-SFHVURJKSA-N 1 0 386.496 2.751 50 0 GFAARO C[C@](O)(CCCO)CNC(=O)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000534590015 570906005 /nfs/dbraw/zinc/90/60/05/570906005.db2.gz ZOICSUCVUBUKTG-QFIPXVFZSA-N 1 0 379.460 2.568 50 0 GFAARO COCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccnc4ccccc34)[C@H]2C1 ZINC000534592180 570906965 /nfs/dbraw/zinc/90/69/65/570906965.db2.gz LQCBMJMIDKVVRF-PIPMEXSNSA-N 1 0 383.492 2.509 50 0 GFAARO Cc1cccnc1NCCNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000534640873 570913183 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GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)cc1 ZINC000019300424 570974004 /nfs/dbraw/zinc/97/40/04/570974004.db2.gz CUBHOPPSAFTPKA-LJQANCHMSA-N 1 0 382.508 2.593 50 0 GFAARO CCCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000252500185 570976503 /nfs/dbraw/zinc/97/65/03/570976503.db2.gz SOLPPDFLQANSBE-UHFFFAOYSA-N 1 0 384.480 2.883 50 0 GFAARO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)cn1 ZINC000252511109 570981058 /nfs/dbraw/zinc/98/10/58/570981058.db2.gz ZUEJCYLIQQHCSW-UHFFFAOYSA-N 1 0 382.508 2.851 50 0 GFAARO C[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)[N@@H+]1CCc2ccccc2C1 ZINC000045498603 570991650 /nfs/dbraw/zinc/99/16/50/570991650.db2.gz PHUVNWTUMLULDX-INIZCTEOSA-N 1 0 393.487 2.513 50 0 GFAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000108929007 570992896 /nfs/dbraw/zinc/99/28/96/570992896.db2.gz NBEAZLYVFAXYRK-DLBZAZTESA-N 1 0 393.553 2.920 50 0 GFAARO C[C@@H](C(=O)N1CCCC1)[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000091474579 571010300 /nfs/dbraw/zinc/01/03/00/571010300.db2.gz WAWADARTSBAUMZ-FQEVSTJZSA-N 1 0 397.563 2.945 50 0 GFAARO CC[C@H](C(=O)NCC[NH+](C)C)n1cc(C)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000037435527 571012755 /nfs/dbraw/zinc/01/27/55/571012755.db2.gz RQVXDBFJSGICRH-SLNYWTKHSA-N 1 0 388.537 2.536 50 0 GFAARO CCc1ncc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)cn1 ZINC000091645802 571022468 /nfs/dbraw/zinc/02/24/68/571022468.db2.gz QNUSIJDIANLFFL-UHFFFAOYSA-N 1 0 393.535 2.881 50 0 GFAARO COCCN(C)C[C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1CO ZINC000091792846 571030700 /nfs/dbraw/zinc/03/07/00/571030700.db2.gz WBCDOZDVFQOSNU-FGZHOGPDSA-N 1 0 380.532 2.876 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(F)c(F)c(F)c1)CC2 ZINC000091819977 571032251 /nfs/dbraw/zinc/03/22/51/571032251.db2.gz WBXHCZZINQJZBO-UHFFFAOYSA-N 1 0 378.398 2.837 50 0 GFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cn2ccnc2-c2ccccc2)CC1 ZINC000091965206 571037987 /nfs/dbraw/zinc/03/79/87/571037987.db2.gz NXAFGFBNRNKNPB-UHFFFAOYSA-N 1 0 375.476 2.992 50 0 GFAARO CC[N@H+](C)C1(CNC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)CCCC1 ZINC000092022593 571041613 /nfs/dbraw/zinc/04/16/13/571041613.db2.gz AKNDAJFPEJPPOR-UHFFFAOYSA-N 1 0 375.498 2.608 50 0 GFAARO NC(=O)c1cccnc1N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095365597 571057804 /nfs/dbraw/zinc/05/78/04/571057804.db2.gz KRNMFNBIHPCOEO-KFKAGJAMSA-N 1 0 384.430 2.525 50 0 GFAARO O=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095371897 571061817 /nfs/dbraw/zinc/06/18/17/571061817.db2.gz JTGMCQSKCDRFET-FUHWJXTLSA-N 1 0 380.492 2.792 50 0 GFAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc31)CC2 ZINC000095383428 571069069 /nfs/dbraw/zinc/06/90/69/571069069.db2.gz YAGLHVBIOMUNDH-FQEVSTJZSA-N 1 0 383.536 2.509 50 0 GFAARO Cc1ccc(-c2cc(CN3CC[N@H+](C)[C@@]4(C3)CCC(=O)N(C)CC4)on2)cc1 ZINC000095389029 571071499 /nfs/dbraw/zinc/07/14/99/571071499.db2.gz UDZGMWVIMMHHMG-QFIPXVFZSA-N 1 0 382.508 2.779 50 0 GFAARO C[N@@H+]1CCC[C@H]1CCN1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000120172254 655330068 /nfs/dbraw/zinc/33/00/68/655330068.db2.gz OMAHFYCIQGGIRO-AWEZNQCLSA-N 1 0 391.990 2.582 50 0 GFAARO Cc1cccc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000585094301 655511938 /nfs/dbraw/zinc/51/19/38/655511938.db2.gz GRNUDYXQBHDIGF-OAHLLOKOSA-N 1 0 386.945 2.912 50 0 GFAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000426668357 231250291 /nfs/dbraw/zinc/25/02/91/231250291.db2.gz NKMUBLJQJARHAT-IBGZPJMESA-N 1 0 382.460 2.659 50 0 GFAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCC(OCc2ccccc2)CC1 ZINC000426701467 231254079 /nfs/dbraw/zinc/25/40/79/231254079.db2.gz RBKIGCBIGPCVAP-IBGZPJMESA-N 1 0 382.508 2.558 50 0 GFAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299798510 222792242 /nfs/dbraw/zinc/79/22/42/222792242.db2.gz SRGLQWXBLPETNX-DBVUQKKJSA-N 1 0 376.460 2.698 50 0 GFAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)COc1ccccc1 ZINC000000847462 212189007 /nfs/dbraw/zinc/18/90/07/212189007.db2.gz YZVGXJBXRGLPRH-LJQANCHMSA-N 1 0 394.519 2.848 50 0 GFAARO Cc1nc2sccn2c1C[NH+]1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 ZINC000011819098 212077201 /nfs/dbraw/zinc/07/72/01/212077201.db2.gz YCYXCZSHVJDXCN-QGZVFWFLSA-N 1 0 390.553 2.992 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002206216 220509212 /nfs/dbraw/zinc/50/92/12/220509212.db2.gz RSMRJYOJHQETFY-UHFFFAOYSA-N 1 0 386.525 2.680 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1nc2c3c(ncn2n1)sc1c3[C@H](C)CCC1 ZINC000002354029 220526328 /nfs/dbraw/zinc/52/63/28/220526328.db2.gz ZQXFZLBCBWPDGV-GFCCVEGCSA-N 1 0 386.525 2.850 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000006432683 220933761 /nfs/dbraw/zinc/93/37/61/220933761.db2.gz PJCFAXVJKFDIBV-FQEVSTJZSA-N 1 0 397.475 2.537 50 0 GFAARO Cn1nc(C(=O)N(CCC[NH+](C)C)Cc2ccccc2)c2ccccc2c1=O ZINC000008133376 221028086 /nfs/dbraw/zinc/02/80/86/221028086.db2.gz HBCLLIFAVZIHQM-UHFFFAOYSA-N 1 0 378.476 2.528 50 0 GFAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000008312660 221036171 /nfs/dbraw/zinc/03/61/71/221036171.db2.gz RFLRKIXUFQECRF-ZIAGYGMSSA-N 1 0 395.550 2.985 50 0 GFAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000010312712 221100662 /nfs/dbraw/zinc/10/06/62/221100662.db2.gz LFNGZHDPMRRSLI-UHFFFAOYSA-N 1 0 380.242 2.586 50 0 GFAARO O=C(NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)[C@@H]1CCCO1 ZINC000011814307 221126075 /nfs/dbraw/zinc/12/60/75/221126075.db2.gz PEJRHUJEIUVODX-SFTDATJTSA-N 1 0 386.536 2.928 50 0 GFAARO O=C(c1cc(COc2ccccc2)[nH]n1)N1CCC([NH+]2CCSCC2)CC1 ZINC000011820287 221129825 /nfs/dbraw/zinc/12/98/25/221129825.db2.gz RHBHCFKYSKXDOC-UHFFFAOYSA-N 1 0 386.521 2.642 50 0 GFAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CN(C)Cc2nccs2)cc1OC ZINC000011839324 221130859 /nfs/dbraw/zinc/13/08/59/221130859.db2.gz KPCKNVPZBCRJAA-QGZVFWFLSA-N 1 0 393.553 2.865 50 0 GFAARO COc1ccc(C(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)c(OC)c1OC ZINC000011845642 221132824 /nfs/dbraw/zinc/13/28/24/221132824.db2.gz IEBAQFMGIZPIIW-QGZVFWFLSA-N 1 0 387.480 2.618 50 0 GFAARO COCCC[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000011932746 221137021 /nfs/dbraw/zinc/13/70/21/221137021.db2.gz GCSAKKPQFUYQES-UHFFFAOYSA-N 1 0 386.521 2.837 50 0 GFAARO Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012031200 221142976 /nfs/dbraw/zinc/14/29/76/221142976.db2.gz YLPRQGUQCINMJU-CYBMUJFWSA-N 1 0 391.541 2.661 50 0 GFAARO COc1ccccc1CCN1CCC[C@@H](C[N@H+](C)C2CCN(C(C)=O)CC2)C1 ZINC000012093452 221151259 /nfs/dbraw/zinc/15/12/59/221151259.db2.gz LZVKFWXRTAUGNX-FQEVSTJZSA-N 1 0 387.568 2.892 50 0 GFAARO CC(C)c1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000012322705 221181783 /nfs/dbraw/zinc/18/17/83/221181783.db2.gz ODFUJRAWWKYNLB-KRWDZBQOSA-N 1 0 392.463 2.629 50 0 GFAARO COc1cccc(CNC(=O)CC[C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000012201315 221166735 /nfs/dbraw/zinc/16/67/35/221166735.db2.gz QBGUHTSOTPWOBR-MRXNPFEDSA-N 1 0 383.496 2.689 50 0 GFAARO COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000012201309 221167031 /nfs/dbraw/zinc/16/70/31/221167031.db2.gz QBGUHTSOTPWOBR-INIZCTEOSA-N 1 0 383.496 2.689 50 0 GFAARO O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)N1CCOCC1 ZINC000012433429 221193443 /nfs/dbraw/zinc/19/34/43/221193443.db2.gz ZMHFEWRDWBMADN-GOSISDBHSA-N 1 0 382.508 2.928 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCOC1=O ZINC000012385411 221188120 /nfs/dbraw/zinc/18/81/20/221188120.db2.gz TYDSSTBTRXTWCO-QGZVFWFLSA-N 1 0 393.915 2.505 50 0 GFAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000012778499 221229956 /nfs/dbraw/zinc/22/99/56/221229956.db2.gz YLKGRWLQGSMNDH-UHFFFAOYSA-N 1 0 393.487 2.997 50 0 GFAARO COc1ccc(OCCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000012904873 221243584 /nfs/dbraw/zinc/24/35/84/221243584.db2.gz BCMPXPICDRSCBN-UHFFFAOYSA-N 1 0 376.497 2.615 50 0 GFAARO O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012813978 221235741 /nfs/dbraw/zinc/23/57/41/221235741.db2.gz UYCMHCNCXCDXAT-INIZCTEOSA-N 1 0 385.489 2.999 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)COc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000012997709 221253684 /nfs/dbraw/zinc/25/36/84/221253684.db2.gz PMDRGJSMAJIUCH-FQEVSTJZSA-N 1 0 381.476 2.611 50 0 GFAARO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000013683412 221281154 /nfs/dbraw/zinc/28/11/54/221281154.db2.gz QGJFNYISYBGCCY-AWEZNQCLSA-N 1 0 384.827 3.000 50 0 GFAARO CCOCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013729703 221285313 /nfs/dbraw/zinc/28/53/13/221285313.db2.gz CSHHHNFQNBYTCU-UHFFFAOYSA-N 1 0 383.452 2.979 50 0 GFAARO CCOc1ccc(Br)cc1S(=O)(=O)NC1CC[NH+](CC)CC1 ZINC000014096767 221298260 /nfs/dbraw/zinc/29/82/60/221298260.db2.gz IRVQUTUKCSQCAI-UHFFFAOYSA-N 1 0 391.331 2.610 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]CCOC(C)C)C2 ZINC000014540524 221312259 /nfs/dbraw/zinc/31/22/59/221312259.db2.gz ZVXLFFFDYKEPCI-KRWDZBQOSA-N 1 0 388.512 2.640 50 0 GFAARO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)o1 ZINC000014974067 221322917 /nfs/dbraw/zinc/32/29/17/221322917.db2.gz JINNIIXOCOPERV-HXUWFJFHSA-N 1 0 378.419 2.852 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014755250 221316092 /nfs/dbraw/zinc/31/60/92/221316092.db2.gz ZRDPTCYMSAHQOD-SFHVURJKSA-N 1 0 381.524 2.817 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccccn1)C2 ZINC000014755540 221317605 /nfs/dbraw/zinc/31/76/05/221317605.db2.gz ZZLOACGJSDSPKO-IBGZPJMESA-N 1 0 395.551 2.860 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000014951937 221319974 /nfs/dbraw/zinc/31/99/74/221319974.db2.gz OILNJVWALFDHCU-HXUWFJFHSA-N 1 0 378.394 2.747 50 0 GFAARO CCC[NH+](CCC)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015731039 221342307 /nfs/dbraw/zinc/34/23/07/221342307.db2.gz JXLJPHKRUKDJHX-UHFFFAOYSA-N 1 0 385.555 2.521 50 0 GFAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000015784630 221345365 /nfs/dbraw/zinc/34/53/65/221345365.db2.gz DIJBZAHJMXWTRI-FQEVSTJZSA-N 1 0 384.524 2.994 50 0 GFAARO CC(=O)Nc1ccc(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000016103608 221357323 /nfs/dbraw/zinc/35/73/23/221357323.db2.gz OVIOBWCRTZYZAP-UHFFFAOYSA-N 1 0 395.507 2.758 50 0 GFAARO COc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1OC ZINC000016227461 221359680 /nfs/dbraw/zinc/35/96/80/221359680.db2.gz QWHKRVCKYKXLSB-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO Cc1cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000017317530 221384037 /nfs/dbraw/zinc/38/40/37/221384037.db2.gz OKUQHTRIIKWKCW-UHFFFAOYSA-N 1 0 388.533 2.923 50 0 GFAARO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000058179954 136154778 /nfs/dbraw/zinc/15/47/78/136154778.db2.gz GZXSDGHWXSCELC-NRFANRHFSA-N 1 0 379.504 2.662 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCCOc1ccccc1 ZINC000061135942 136155935 /nfs/dbraw/zinc/15/59/35/136155935.db2.gz QBIJJBLZGYOOJM-UHFFFAOYSA-N 1 0 382.508 2.577 50 0 GFAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)o4)c(C)c32)CC1 ZINC000064957332 136158284 /nfs/dbraw/zinc/15/82/84/136158284.db2.gz FLYFRRLAPNRDBA-UHFFFAOYSA-N 1 0 399.520 2.973 50 0 GFAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc([C@@H]3CCCO3)s2)CC1 ZINC000067674170 136164725 /nfs/dbraw/zinc/16/47/25/136164725.db2.gz PVKOQQNZWIOUPT-INIZCTEOSA-N 1 0 386.521 2.676 50 0 GFAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc([C@H]3CCCO3)s2)CC1 ZINC000067674171 136164851 /nfs/dbraw/zinc/16/48/51/136164851.db2.gz PVKOQQNZWIOUPT-MRXNPFEDSA-N 1 0 386.521 2.676 50 0 GFAARO COc1ccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000070928957 136165362 /nfs/dbraw/zinc/16/53/62/136165362.db2.gz OJUMMEZFJUQUON-UHFFFAOYSA-N 1 0 384.480 2.815 50 0 GFAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ncc(F)c(N3CCOCC3)n2)c1 ZINC000071760134 136166151 /nfs/dbraw/zinc/16/61/51/136166151.db2.gz OXOHXCQIPNUULX-KRWDZBQOSA-N 1 0 386.471 2.900 50 0 GFAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071763739 136166284 /nfs/dbraw/zinc/16/62/84/136166284.db2.gz KTCTUTLFYSKZEP-LJQANCHMSA-N 1 0 384.524 2.587 50 0 GFAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cnc(N5CCOCC5)nc4)C3)nc2c1 ZINC000072425261 136169902 /nfs/dbraw/zinc/16/99/02/136169902.db2.gz ZZBXBSNCVYFUJW-QGZVFWFLSA-N 1 0 378.480 2.569 50 0 GFAARO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCN(c4cccc(O)c4)CC3)c2cc1C ZINC000132833441 136192861 /nfs/dbraw/zinc/19/28/61/136192861.db2.gz VLVBKNDJBWOQJA-FQEVSTJZSA-N 1 0 380.492 2.542 50 0 GFAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000024140585 221610471 /nfs/dbraw/zinc/61/04/71/221610471.db2.gz XFRJLXBLWSOYEH-UHFFFAOYSA-N 1 0 375.542 2.678 50 0 GFAARO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(F)cc2)c1 ZINC000057341876 222031703 /nfs/dbraw/zinc/03/17/03/222031703.db2.gz RKBHOXSHWSDWDS-UHFFFAOYSA-N 1 0 393.484 2.585 50 0 GFAARO Cc1cccc(NC(=O)CC(=O)NC[C@H](c2cccnc2)[NH+]2CCCC2)c1C ZINC000055309414 222021316 /nfs/dbraw/zinc/02/13/16/222021316.db2.gz YGHNCURFAMYXDO-HXUWFJFHSA-N 1 0 380.492 2.980 50 0 GFAARO CC(C)Cc1ccc([C@H]([NH2+]CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000058069277 222039208 /nfs/dbraw/zinc/03/92/08/222039208.db2.gz GBFIFHNBGBWTHU-PZJWPPBQSA-N 1 0 394.581 2.817 50 0 GFAARO COc1ccc(CCC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000058214732 222046056 /nfs/dbraw/zinc/04/60/56/222046056.db2.gz CWHZEKZBOCHRHP-JZXOWHBKSA-N 1 0 378.488 2.867 50 0 GFAARO CCS(=O)(=O)c1ccccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000058972894 222056092 /nfs/dbraw/zinc/05/60/92/222056092.db2.gz PRBYWHHWZIUNJG-IAGOWNOFSA-N 1 0 380.554 2.968 50 0 GFAARO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000061720721 222063308 /nfs/dbraw/zinc/06/33/08/222063308.db2.gz OMABXULYAYWUIC-UHFFFAOYSA-N 1 0 375.472 2.933 50 0 GFAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776154 222082328 /nfs/dbraw/zinc/08/23/28/222082328.db2.gz RNSLOKJMUXQGGE-SFHVURJKSA-N 1 0 397.523 2.687 50 0 GFAARO CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)cc1 ZINC000065257003 222118125 /nfs/dbraw/zinc/11/81/25/222118125.db2.gz YWWBHZGCHSBCSJ-LJQANCHMSA-N 1 0 380.492 2.741 50 0 GFAARO O=C1N(CCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000067433430 222147233 /nfs/dbraw/zinc/14/72/33/222147233.db2.gz WSAGCBKBBBMURM-QHCPKHFHSA-N 1 0 377.488 2.854 50 0 GFAARO CC(C)c1ccc2cc(C(=O)N3CCC4(CC3)C(=O)NCCC[N@H+]4C)[nH]c2c1 ZINC000067588174 222149960 /nfs/dbraw/zinc/14/99/60/222149960.db2.gz WUQGCFNBUGFJOM-UHFFFAOYSA-N 1 0 382.508 2.718 50 0 GFAARO COc1ccc(OCc2nc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)co2)cc1 ZINC000067675869 222154247 /nfs/dbraw/zinc/15/42/47/222154247.db2.gz GBZDWXMCNGLVNX-OAHLLOKOSA-N 1 0 385.464 2.961 50 0 GFAARO CCCN1CC[NH+](C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067694649 222155644 /nfs/dbraw/zinc/15/56/44/222155644.db2.gz OVERTRPUXAPUEI-QHCPKHFHSA-N 1 0 387.568 2.691 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3cc(C4CC4)ncn3)CC2)C1)N1CCCC1 ZINC000071750627 222190371 /nfs/dbraw/zinc/19/03/71/222190371.db2.gz NJOAQNRETXTJDK-GOSISDBHSA-N 1 0 383.540 2.657 50 0 GFAARO O=C1N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067773442 222159715 /nfs/dbraw/zinc/15/97/15/222159715.db2.gz GUOKMDODIZTSKC-QFIPXVFZSA-N 1 0 378.476 2.505 50 0 GFAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N(Cc1ccccn1)C1CCCCC1 ZINC000067790233 222159972 /nfs/dbraw/zinc/15/99/72/222159972.db2.gz DUMMMVANNMEVLA-QGZVFWFLSA-N 1 0 382.512 2.648 50 0 GFAARO Cc1c(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cnn1C ZINC000067804701 222160670 /nfs/dbraw/zinc/16/06/70/222160670.db2.gz YGNYRSBNSJFUCL-HSZRJFAPSA-N 1 0 398.551 2.837 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCC4(CCO4)CC3)C2=O)cc1 ZINC000067819151 222160708 /nfs/dbraw/zinc/16/07/08/222160708.db2.gz IYYLLAITJJJRNH-QHCPKHFHSA-N 1 0 386.536 2.918 50 0 GFAARO CC[C@@H](C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)[NH+]1CCCC1 ZINC000067805754 222161476 /nfs/dbraw/zinc/16/14/76/222161476.db2.gz KCFNDRRRIPDVNZ-INIZCTEOSA-N 1 0 383.448 2.829 50 0 GFAARO C[N@@H+]1CCN(CCC(F)(F)F)CC12CCN(C(=O)COc1ccccc1)CC2 ZINC000067886495 222165431 /nfs/dbraw/zinc/16/54/31/222165431.db2.gz QVPMKZNBOYFYIW-UHFFFAOYSA-N 1 0 399.457 2.626 50 0 GFAARO O=C(c1csc2nc(-c3ccccc3)cn12)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000067946263 222169142 /nfs/dbraw/zinc/16/91/42/222169142.db2.gz RQQDAIOCJNKKAM-HKUYNNGSSA-N 1 0 396.516 2.734 50 0 GFAARO CC(C)Cc1noc([C@@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000067965656 222169322 /nfs/dbraw/zinc/16/93/22/222169322.db2.gz CWMNPZLGNPWJKV-CYBMUJFWSA-N 1 0 379.468 2.939 50 0 GFAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cnc3c(cnn3C3CCCC3)c2)C[C@H](C)O1 ZINC000070006669 222175959 /nfs/dbraw/zinc/17/59/59/222175959.db2.gz YZMIMIXHELCFDH-IYBDPMFKSA-N 1 0 385.512 2.776 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000071415801 222183201 /nfs/dbraw/zinc/18/32/01/222183201.db2.gz DJHVSUKCSGLGDO-MRXNPFEDSA-N 1 0 377.479 2.920 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)NC2CC[NH+](C)CC2)(Cc2ccccc2)C1=O ZINC000071754439 222191417 /nfs/dbraw/zinc/19/14/17/222191417.db2.gz BPCRUKXNYDPHMZ-DEOSSOPVSA-N 1 0 391.515 2.744 50 0 GFAARO O=C(c1ccccc1F)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748508 222189081 /nfs/dbraw/zinc/18/90/81/222189081.db2.gz FUVUCOYOLDPXIF-QGZVFWFLSA-N 1 0 387.499 2.765 50 0 GFAARO Cc1ccc2nc(Cn3nc([C@@H]4CCC[NH2+]C4)n(-c4ccccc4)c3=O)cn2c1 ZINC000071765568 222195835 /nfs/dbraw/zinc/19/58/35/222195835.db2.gz DQQSBADTOHSUOK-QGZVFWFLSA-N 1 0 388.475 2.505 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCc2c[nH]cn2)Cc2ccccc2C1 ZINC000072172473 222216744 /nfs/dbraw/zinc/21/67/44/222216744.db2.gz BFCPTAJYORTSIQ-UHFFFAOYSA-N 1 0 388.515 2.781 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@@H](c1ccccc1)c1ccccn1 ZINC000072478679 222267650 /nfs/dbraw/zinc/26/76/50/222267650.db2.gz KHTNVDDKGCLGFQ-QFIPXVFZSA-N 1 0 375.476 2.610 50 0 GFAARO c1ccc(-c2nc3c(c(NC[C@H]4OCCc5ccccc54)n2)CC[NH2+]CC3)nc1 ZINC000072419240 222257148 /nfs/dbraw/zinc/25/71/48/222257148.db2.gz XGSLOWKHMXUBGQ-OAQYLSRUSA-N 1 0 387.487 2.953 50 0 GFAARO Cc1cccc(CN(C)c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)c1C ZINC000072430608 222259598 /nfs/dbraw/zinc/25/95/98/222259598.db2.gz UPBAHMDJDITHHI-MRXNPFEDSA-N 1 0 388.537 2.600 50 0 GFAARO COc1ccc(Cl)cc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089374768 222327020 /nfs/dbraw/zinc/32/70/20/222327020.db2.gz MAXFQJZGFDYLIU-DFNIBXOVSA-N 1 0 391.943 2.661 50 0 GFAARO CS(=O)(=O)Nc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000095497916 222332516 /nfs/dbraw/zinc/33/25/16/222332516.db2.gz OVAIERJLXSNZRN-UHFFFAOYSA-N 1 0 380.514 2.540 50 0 GFAARO COc1cccc2c1OC[C@H](CNC(=O)C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000095507131 222338724 /nfs/dbraw/zinc/33/87/24/222338724.db2.gz XZEWLLMWJREENF-INIZCTEOSA-N 1 0 384.476 2.868 50 0 GFAARO CNc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cn1 ZINC000095505217 222339508 /nfs/dbraw/zinc/33/95/08/222339508.db2.gz WAFGUTOCABZSMK-GOSISDBHSA-N 1 0 397.523 2.554 50 0 GFAARO Cc1cc(C[C@H](C)NC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)[nH]n1 ZINC000077505141 222284749 /nfs/dbraw/zinc/28/47/49/222284749.db2.gz JZKDXYACLJNVIZ-ZDUSSCGKSA-N 1 0 376.888 2.620 50 0 GFAARO CN1C(=O)C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000079479395 222305295 /nfs/dbraw/zinc/30/52/95/222305295.db2.gz QKOMJWJWQGIBIT-FYYLOGMGSA-N 1 0 391.515 2.987 50 0 GFAARO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079192880 222305354 /nfs/dbraw/zinc/30/53/54/222305354.db2.gz CPOJHQCZCCZKQL-LAUBAEHRSA-N 1 0 397.519 2.642 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)s1 ZINC000082091194 222307950 /nfs/dbraw/zinc/30/79/50/222307950.db2.gz XCKKRWXBXODYMG-KRWDZBQOSA-N 1 0 389.565 2.996 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2cc(C)no2)C1 ZINC000095519944 222346153 /nfs/dbraw/zinc/34/61/53/222346153.db2.gz UPSYHXQJJKKCLT-SFHVURJKSA-N 1 0 385.508 2.947 50 0 GFAARO COc1ccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c(O)c1 ZINC000095531584 222355129 /nfs/dbraw/zinc/35/51/29/222355129.db2.gz FUAMTZJWKPQRQS-UHFFFAOYSA-N 1 0 386.496 2.569 50 0 GFAARO CCOc1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cc1C(F)(F)F ZINC000096137325 222385485 /nfs/dbraw/zinc/38/54/85/222385485.db2.gz PBNFSESOSNWOEW-ZDUSSCGKSA-N 1 0 389.418 2.930 50 0 GFAARO Cc1cccc(-n2cc(C[NH+]3CCC(c4nnc(CN(C)C)n4C)CC3)cn2)c1 ZINC000096138405 222386701 /nfs/dbraw/zinc/38/67/01/222386701.db2.gz KFDMYZXYIBDUOB-UHFFFAOYSA-N 1 0 393.539 2.750 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cncnc2C)CC1 ZINC000095520304 222345672 /nfs/dbraw/zinc/34/56/72/222345672.db2.gz UJPYJKPCDMUGKM-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO O=C(Cc1c(F)cccc1Cl)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095520089 222345888 /nfs/dbraw/zinc/34/58/88/222345888.db2.gz HTMXHKKQHCSWOM-INIZCTEOSA-N 1 0 376.859 2.727 50 0 GFAARO C[C@H](CNC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1)Oc1cccnc1 ZINC000426431395 534085271 /nfs/dbraw/zinc/08/52/71/534085271.db2.gz SPLTWLPJAOXSLN-QGZVFWFLSA-N 1 0 383.496 2.550 50 0 GFAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426399073 534564021 /nfs/dbraw/zinc/56/40/21/534564021.db2.gz RVXKKOUJOFHOKT-FQEVSTJZSA-N 1 0 396.539 2.579 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426500299 534689172 /nfs/dbraw/zinc/68/91/72/534689172.db2.gz OUZWUHKCEMBUNE-GOSISDBHSA-N 1 0 394.523 2.508 50 0 GFAARO NC(=O)CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426707518 534847380 /nfs/dbraw/zinc/84/73/80/534847380.db2.gz WIECNEHZNPIFKS-VQTJNVASSA-N 1 0 386.540 2.728 50 0 GFAARO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(OC)cc2)C1 ZINC000241774211 527829900 /nfs/dbraw/zinc/82/99/00/527829900.db2.gz RNXYBNNVFFFFMD-MOPGFXCFSA-N 1 0 388.508 2.504 50 0 GFAARO CCc1nn2c(nc(C[N@H+](C)CCOc3ccc(Cl)cc3)cc2=O)s1 ZINC000020961998 551116244 /nfs/dbraw/zinc/11/62/44/551116244.db2.gz JJYVFGYDQNQUFV-UHFFFAOYSA-N 1 0 378.885 2.878 50 0 GFAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022767130 551118214 /nfs/dbraw/zinc/11/82/14/551118214.db2.gz UXDJTDDIPIEVPO-KRWDZBQOSA-N 1 0 399.969 2.669 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2Br)no1 ZINC000521394612 564626678 /nfs/dbraw/zinc/62/66/78/564626678.db2.gz VPZJXCRSSRAVNV-AWEZNQCLSA-N 1 0 394.269 2.758 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000247806541 570247146 /nfs/dbraw/zinc/24/71/46/570247146.db2.gz ZUTGZBUZGCQQJA-PMACEKPBSA-N 1 0 399.535 2.572 50 0 GFAARO CCC[NH+]1CCC2(CCN(C(=O)CSc3ccncc3)C[C@H]2CO)CC1 ZINC000097675408 570248859 /nfs/dbraw/zinc/24/88/59/570248859.db2.gz XHRUMVHAELHMKL-KRWDZBQOSA-N 1 0 377.554 2.507 50 0 GFAARO COc1ccc2c(c1)C[C@H](c1nc(-c3c(C)ncc4c3CC[NH2+]C4)no1)CO2 ZINC000020256435 570250245 /nfs/dbraw/zinc/25/02/45/570250245.db2.gz WCRZTAMKQFBCNZ-AWEZNQCLSA-N 1 0 378.432 2.813 50 0 GFAARO CCOc1ccccc1CN1CCN(Cc2cnc(C)s2)C[C@H]1CCO ZINC000104428444 570258370 /nfs/dbraw/zinc/25/83/70/570258370.db2.gz RQFVGCWGFWSSGS-GOSISDBHSA-N 1 0 375.538 2.919 50 0 GFAARO CCCN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000236743313 570258987 /nfs/dbraw/zinc/25/89/87/570258987.db2.gz QXFYXUPEBFPCLM-SJORKVTESA-N 1 0 377.533 2.567 50 0 GFAARO CC[NH+]1CCN(CC(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)CC1 ZINC000020608808 570271600 /nfs/dbraw/zinc/27/16/00/570271600.db2.gz DHCXGKHUMFVSID-UHFFFAOYSA-N 1 0 387.505 2.778 50 0 GFAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)c1 ZINC000020706995 570274997 /nfs/dbraw/zinc/27/49/97/570274997.db2.gz AWPKDYGKJDCYJU-UHFFFAOYSA-N 1 0 377.492 2.881 50 0 GFAARO CC(C)([NH3+])c1cn(CC2CCN(C(=O)c3nc4ccccc4s3)CC2)nn1 ZINC000020869525 570283068 /nfs/dbraw/zinc/28/30/68/570283068.db2.gz CGARYYMBGKGWNE-UHFFFAOYSA-N 1 0 384.509 2.634 50 0 GFAARO Cc1nc(NC(=O)c2cccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)nn1C(C)C ZINC000102671989 570291209 /nfs/dbraw/zinc/29/12/09/570291209.db2.gz RNTCSXOCRATUNR-BWTSREIZSA-N 1 0 383.496 2.907 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793725 570295950 /nfs/dbraw/zinc/29/59/50/570295950.db2.gz QUKWKQSYHRWYBG-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO C[NH+](C)CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709677 570302679 /nfs/dbraw/zinc/30/26/79/570302679.db2.gz JNFBJAWOTLDUSZ-UXHICEINSA-N 1 0 397.494 2.749 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](c3ccccc3)C3CC3)cn2)CC1 ZINC000023143485 570346299 /nfs/dbraw/zinc/34/62/99/570346299.db2.gz IYOBWEJDVOTJIA-NRFANRHFSA-N 1 0 379.508 2.784 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000035430480 570356495 /nfs/dbraw/zinc/35/64/95/570356495.db2.gz MTYRVPQYGZCJSQ-UHFFFAOYSA-N 1 0 388.537 2.631 50 0 GFAARO CCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c1 ZINC000035430770 570356931 /nfs/dbraw/zinc/35/69/31/570356931.db2.gz JMWWWFVCLJYTDS-UHFFFAOYSA-N 1 0 390.487 2.599 50 0 GFAARO CN(C)c1ncc(-c2cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c3ccccc3n2)cn1 ZINC000023619023 570366784 /nfs/dbraw/zinc/36/67/84/570366784.db2.gz JDKBBELKZDJCTD-MRXNPFEDSA-N 1 0 390.491 2.582 50 0 GFAARO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000004395028 570373890 /nfs/dbraw/zinc/37/38/90/570373890.db2.gz SCGNWFGRIYYTIF-IBGZPJMESA-N 1 0 387.524 2.951 50 0 GFAARO Cc1ccc(C(=O)N[C@@H](C(=O)NCC[NH+](C)C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004428163 570374980 /nfs/dbraw/zinc/37/49/80/570374980.db2.gz GKWCPILEDIIPBG-IOFSEFHDSA-N 1 0 397.563 2.988 50 0 GFAARO NC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024055405 570377791 /nfs/dbraw/zinc/37/77/91/570377791.db2.gz RMMADEZQXQOLHH-UHFFFAOYSA-N 1 0 378.398 2.912 50 0 GFAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)nc12 ZINC000024855948 570396390 /nfs/dbraw/zinc/39/63/90/570396390.db2.gz MEIADTIIDOPFTK-UHFFFAOYSA-N 1 0 376.460 2.854 50 0 GFAARO COCCOc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COCCOC(C)C)cc1OC ZINC000221904473 570403430 /nfs/dbraw/zinc/40/34/30/570403430.db2.gz ZBGIHTDKKDFJDV-IEBWSBKVSA-N 1 0 399.528 2.516 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000005042592 570404827 /nfs/dbraw/zinc/40/48/27/570404827.db2.gz PEJVQFYUTWZIDL-UHFFFAOYSA-N 1 0 378.494 2.634 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCCN(Cc2ccncc2)CC1 ZINC000222457689 570411311 /nfs/dbraw/zinc/41/13/11/570411311.db2.gz LOIROICQVUWFOM-JOCHJYFZSA-N 1 0 378.520 2.605 50 0 GFAARO CCn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000006432534 570417235 /nfs/dbraw/zinc/41/72/35/570417235.db2.gz ZKFHDWXGOZPOGN-QGZVFWFLSA-N 1 0 380.448 2.576 50 0 GFAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025765581 570419168 /nfs/dbraw/zinc/41/91/68/570419168.db2.gz DCPNWMCPQBQZQR-VGSWGCGISA-N 1 0 397.494 2.766 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C3CCCCC3)c(C)c2)CC1 ZINC000026908701 570430053 /nfs/dbraw/zinc/43/00/53/570430053.db2.gz VWTWRHREUBMYMT-UHFFFAOYSA-N 1 0 386.540 2.772 50 0 GFAARO CCOCCC[N@@H+]1CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)[C@H](C)C1 ZINC000239653912 570430348 /nfs/dbraw/zinc/43/03/48/570430348.db2.gz BLOVERYUVJTGPE-SPOLIRPYSA-N 1 0 377.529 2.719 50 0 GFAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccnc2SCCc2ccccc2)C1 ZINC000223008879 570437034 /nfs/dbraw/zinc/43/70/34/570437034.db2.gz GJQIJVKLGSNYDQ-MSOLQXFVSA-N 1 0 385.533 2.553 50 0 GFAARO C[C@@H]1CCC[C@@H]([N@H+](CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000248147890 570443746 /nfs/dbraw/zinc/44/37/46/570443746.db2.gz IFFDLLDLBFSSBX-ZIFCJYIRSA-N 1 0 388.508 2.901 50 0 GFAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006552715 570475352 /nfs/dbraw/zinc/47/53/52/570475352.db2.gz OKSZIQDWMWMQOR-GJZGRUSLSA-N 1 0 378.542 2.784 50 0 GFAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCC[NH+]1CCC(O)CC1 ZINC000128594206 570489096 /nfs/dbraw/zinc/48/90/96/570489096.db2.gz OWTWXGJTGRRLHT-UHFFFAOYSA-N 1 0 380.895 2.910 50 0 GFAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCC(N)=O ZINC000006703444 570489452 /nfs/dbraw/zinc/48/94/52/570489452.db2.gz ZKQQOWPSNUWENT-UHFFFAOYSA-N 1 0 379.254 2.612 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000032960875 570531489 /nfs/dbraw/zinc/53/14/89/570531489.db2.gz ZFBHNKADFANSTR-HNAYVOBHSA-N 1 0 384.480 2.624 50 0 GFAARO COc1ccc(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794752 570548322 /nfs/dbraw/zinc/54/83/22/570548322.db2.gz HQVPKZNEZJFBSW-JOCHJYFZSA-N 1 0 399.510 2.872 50 0 GFAARO C[NH+](C)C1CCN(C(=O)c2csc(NC(=O)c3ccc(F)c(F)c3)n2)CC1 ZINC000040355677 570566781 /nfs/dbraw/zinc/56/67/81/570566781.db2.gz WTGUBWZEYBVWLZ-UHFFFAOYSA-N 1 0 394.447 2.840 50 0 GFAARO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 ZINC000225468376 570577679 /nfs/dbraw/zinc/57/76/79/570577679.db2.gz GVCYNPSKYIJISA-LJQANCHMSA-N 1 0 384.455 2.909 50 0 GFAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)cn1 ZINC000039430505 570591420 /nfs/dbraw/zinc/59/14/20/570591420.db2.gz TVUOHUFFLPFWEW-INIZCTEOSA-N 1 0 386.496 2.562 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCNC(C)=O)cc1 ZINC000012055109 570602161 /nfs/dbraw/zinc/60/21/61/570602161.db2.gz KSCYVSNYYZJGSH-UHFFFAOYSA-N 1 0 382.439 2.913 50 0 GFAARO Cc1cc2nc3sc(C(=O)NCC[NH+]4CCCCC4)cc(=O)n3c2cc1C ZINC000033009007 570620414 /nfs/dbraw/zinc/62/04/14/570620414.db2.gz CGMDUBVWYQPKIW-UHFFFAOYSA-N 1 0 384.505 2.742 50 0 GFAARO COc1ccc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)cc1 ZINC000225828911 570622792 /nfs/dbraw/zinc/62/27/92/570622792.db2.gz NURMGQSXMPDELK-QGZVFWFLSA-N 1 0 398.569 2.577 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)[C@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000033028215 570665855 /nfs/dbraw/zinc/66/58/55/570665855.db2.gz RLWLGKXRQRMDJF-LAUBAEHRSA-N 1 0 382.460 2.788 50 0 GFAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)ccc1C ZINC000006882070 570677693 /nfs/dbraw/zinc/67/76/93/570677693.db2.gz MSHKXQXQOHUEIY-OAHLLOKOSA-N 1 0 381.542 2.696 50 0 GFAARO O=C(CC[NH+]1CCC(C(=O)NCc2ccccn2)CC1)Nc1ccccc1F ZINC000244882445 570698253 /nfs/dbraw/zinc/69/82/53/570698253.db2.gz XRSSTSYEEMUVFU-UHFFFAOYSA-N 1 0 384.455 2.578 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000007005625 570736464 /nfs/dbraw/zinc/73/64/64/570736464.db2.gz DAVGMSFAWNXMPS-INIZCTEOSA-N 1 0 393.509 2.730 50 0 GFAARO Cc1c(O)ccc2c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc12 ZINC000036585069 570743947 /nfs/dbraw/zinc/74/39/47/570743947.db2.gz WAODNQLSDGFDDI-ZBFHGGJFSA-N 1 0 378.428 2.588 50 0 GFAARO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)cc1 ZINC000007050187 570764633 /nfs/dbraw/zinc/76/46/33/570764633.db2.gz LCSUYQZROSJBDA-AWEZNQCLSA-N 1 0 385.445 2.683 50 0 GFAARO C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000034931971 570811024 /nfs/dbraw/zinc/81/10/24/570811024.db2.gz CKPFBSOZZVKQRU-JXOMPUQVSA-N 1 0 391.515 2.985 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cccs1)C2 ZINC000014531944 570847753 /nfs/dbraw/zinc/84/77/53/570847753.db2.gz JFMHANWIZNLSJO-CQSZACIVSA-N 1 0 390.578 2.801 50 0 GFAARO COCC1(C(=O)N2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000072143922 570870630 /nfs/dbraw/zinc/87/06/30/570870630.db2.gz XDICEBCQCUOBOQ-PWRODBHTSA-N 1 0 384.520 2.901 50 0 GFAARO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000097095949 570892030 /nfs/dbraw/zinc/89/20/30/570892030.db2.gz NAEAOUJZPXUXRK-UHFFFAOYSA-N 1 0 388.541 2.743 50 0 GFAARO CCCCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)s1 ZINC000299757500 570892421 /nfs/dbraw/zinc/89/24/21/570892421.db2.gz IENMOMVZAUXNLR-SJLPKXTDSA-N 1 0 377.510 2.752 50 0 GFAARO CCc1cccc(NC(=O)N2CCCN([C@@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097112883 570895988 /nfs/dbraw/zinc/89/59/88/570895988.db2.gz SDZKIIJUQQJKAT-HXUWFJFHSA-N 1 0 384.524 2.800 50 0 GFAARO CN(C[C@H]1COCCO1)C(=O)c1cccc(-c2ccc3[nH+]ccc(N)c3c2)c1 ZINC000534634717 570911309 /nfs/dbraw/zinc/91/13/09/570911309.db2.gz CMSTUCPVIFKARJ-SFHVURJKSA-N 1 0 377.444 2.971 50 0 GFAARO CCCc1nc(C)c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000089960470 570921644 /nfs/dbraw/zinc/92/16/44/570921644.db2.gz KDCAMXFOHBNIBM-SJPCQFCGSA-N 1 0 376.570 2.787 50 0 GFAARO C[C@H](Oc1ccccc1)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000105572485 570929766 /nfs/dbraw/zinc/92/97/66/570929766.db2.gz LYAIMTZLIIWMKL-UGKGYDQZSA-N 1 0 381.520 2.949 50 0 GFAARO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000046787842 570933862 /nfs/dbraw/zinc/93/38/62/570933862.db2.gz IKDIUADZHXMAGO-CQSZACIVSA-N 1 0 384.446 2.917 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000106575499 570965272 /nfs/dbraw/zinc/96/52/72/570965272.db2.gz HSVGTSSLVJADAG-JKSUJKDBSA-N 1 0 380.483 2.965 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318284 570973421 /nfs/dbraw/zinc/97/34/21/570973421.db2.gz GLARIRHCSXYGCC-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)nc1 ZINC000252492116 570974525 /nfs/dbraw/zinc/97/45/25/570974525.db2.gz MDEDNZUUOGHFAI-GOSISDBHSA-N 1 0 398.473 2.866 50 0 GFAARO CC(C)(CO)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000044891354 570980764 /nfs/dbraw/zinc/98/07/64/570980764.db2.gz YTKTYOJDMBGLKS-INIZCTEOSA-N 1 0 375.856 2.971 50 0 GFAARO CCC(=O)N1CCc2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000044982468 570985502 /nfs/dbraw/zinc/98/55/02/570985502.db2.gz CUVCOJPNNINTQY-UHFFFAOYSA-N 1 0 377.488 2.774 50 0 GFAARO O=C(NCCc1nnc2n1CCCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045029539 570986239 /nfs/dbraw/zinc/98/62/39/570986239.db2.gz KTBZGFAOMGPQNU-UHFFFAOYSA-N 1 0 396.539 2.511 50 0 GFAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091445110 571008552 /nfs/dbraw/zinc/00/85/52/571008552.db2.gz VLXLMPTULBERDS-ZDUSSCGKSA-N 1 0 386.323 2.718 50 0 GFAARO O=C(c1cnc(Nc2ccccc2)nc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091693891 571026324 /nfs/dbraw/zinc/02/63/24/571026324.db2.gz RGSOBFZWMYJOKV-IBGZPJMESA-N 1 0 381.480 2.547 50 0 GFAARO O=C(CCn1cc(Cl)cn1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091819062 571031651 /nfs/dbraw/zinc/03/16/51/571031651.db2.gz KQNWNUZJSXCUDS-UHFFFAOYSA-N 1 0 390.919 2.588 50 0 GFAARO C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000091846068 571032611 /nfs/dbraw/zinc/03/26/11/571032611.db2.gz WFORZBVKODBNKU-GOSISDBHSA-N 1 0 381.524 2.764 50 0 GFAARO C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C[C@H]2CCC(=O)[O-])CC1 ZINC000092019436 571040771 /nfs/dbraw/zinc/04/07/71/571040771.db2.gz YQBXTRWWEJPEGW-KNQAVFIVSA-N 1 0 396.535 2.538 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3S1)CC2 ZINC000092028811 571041870 /nfs/dbraw/zinc/04/18/70/571041870.db2.gz YKNIUYGMXSNTIG-GOSISDBHSA-N 1 0 382.533 2.822 50 0 GFAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCN(Cc2ccncc2)CC1 ZINC000095360253 571054589 /nfs/dbraw/zinc/05/45/89/571054589.db2.gz URSYLTKKFKULRJ-UHFFFAOYSA-N 1 0 382.508 2.621 50 0 GFAARO O=C(Cc1ccc(O)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095361649 571055625 /nfs/dbraw/zinc/05/56/25/571055625.db2.gz FSMSWXOBOFKQBA-MDNUFGMLSA-N 1 0 378.472 2.729 50 0 GFAARO CN(C)c1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000095367059 571058965 /nfs/dbraw/zinc/05/89/65/571058965.db2.gz DMQZNJGZTMFJHD-RBBKRZOGSA-N 1 0 378.520 2.813 50 0 GFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000095370832 571060886 /nfs/dbraw/zinc/06/08/86/571060886.db2.gz STAOWWQBWYRCIQ-HXUWFJFHSA-N 1 0 377.504 2.613 50 0 GFAARO CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000095374124 571062825 /nfs/dbraw/zinc/06/28/25/571062825.db2.gz PRNUFWNWRBBBRK-IOMROCGXSA-N 1 0 380.492 2.941 50 0 GFAARO CN1CC[C@@]2(CN(Cc3cnc(C4CCCCC4)nc3)CC[N@@H+]2C)CCC1=O ZINC000095374134 571063193 /nfs/dbraw/zinc/06/31/93/571063193.db2.gz HZRJOVJOOCOTMM-JOCHJYFZSA-N 1 0 385.556 2.653 50 0 GFAARO CCNc1ncc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095378993 571066266 /nfs/dbraw/zinc/06/62/66/571066266.db2.gz QYVVBNYIRAIZMV-PWRODBHTSA-N 1 0 379.508 2.676 50 0 GFAARO O=C(NCc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384365 571069580 /nfs/dbraw/zinc/06/95/80/571069580.db2.gz WJPQCKZTGHGUPX-KRWDZBQOSA-N 1 0 386.471 2.519 50 0 GFAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 ZINC000095389146 571071550 /nfs/dbraw/zinc/07/15/50/571071550.db2.gz PXFLWILKJCVATR-UHFFFAOYSA-N 1 0 382.508 2.574 50 0 GFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000095392497 571073527 /nfs/dbraw/zinc/07/35/27/571073527.db2.gz PGFBCIPAUNHWRC-AWEZNQCLSA-N 1 0 376.888 2.824 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cncnc2C)C1 ZINC000095509623 571081050 /nfs/dbraw/zinc/08/10/50/571081050.db2.gz RQOFDMQLPRNJPK-GOSISDBHSA-N 1 0 382.508 2.820 50 0 GFAARO OC[C@H]1C[C@H](O)C[N@@H+]1C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000864097374 662354564 /nfs/dbraw/zinc/35/45/64/662354564.db2.gz PRCGUUBQQAAUEU-QYZOEREBSA-N 1 0 392.293 2.577 50 0 GFAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC000014732161 230890460 /nfs/dbraw/zinc/89/04/60/230890460.db2.gz RAMACLZQDAVWLG-LJQANCHMSA-N 1 0 395.551 2.911 50 0 GFAARO CCS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](C)C3)cc2)s1 ZINC000426431427 231220779 /nfs/dbraw/zinc/22/07/79/231220779.db2.gz VRQRJWVCKWKITK-HNNXBMFYSA-N 1 0 378.519 2.643 50 0 GFAARO Cc1ccc(-c2cccc(C(=O)NCC3(C[NH+]4CCN(C)CC4)CC3)c2)cn1 ZINC000426387062 231212786 /nfs/dbraw/zinc/21/27/86/231212786.db2.gz ITUMZLICJBGWLL-UHFFFAOYSA-N 1 0 378.520 2.814 50 0 GFAARO CO[C@]12CC[N@H+](Cc3ccc(C(N)=O)cc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426512322 231232893 /nfs/dbraw/zinc/23/28/93/231232893.db2.gz SRJPFIOHQFVAQQ-CNNODRBYSA-N 1 0 381.476 2.772 50 0 GFAARO COc1cccc(-n2cc(CNC(=O)N(C)CC[NH+]3CCCCCC3)cn2)c1 ZINC000426545049 231238320 /nfs/dbraw/zinc/23/83/20/231238320.db2.gz KQUFLQKXCYOWQN-UHFFFAOYSA-N 1 0 385.512 2.898 50 0 GFAARO COc1cncc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)cc2)c1 ZINC000426545022 231238525 /nfs/dbraw/zinc/23/85/25/231238525.db2.gz IWYDZJHDKGXZPF-SFTDATJTSA-N 1 0 381.476 2.740 50 0 GFAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)n2)CN1Cc1ccc(Cl)cc1 ZINC000299766102 222785476 /nfs/dbraw/zinc/78/54/76/222785476.db2.gz AABBQYPYYOVXDI-UXHICEINSA-N 1 0 386.927 2.912 50 0 GFAARO Nc1nc(CC(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cs1 ZINC000001996784 212261974 /nfs/dbraw/zinc/26/19/74/212261974.db2.gz PBAPPPCECJKMCM-IBGZPJMESA-N 1 0 396.516 2.772 50 0 fda GFAARO COc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3OC)CC2)cc(OC)c1 ZINC000000895245 212194268 /nfs/dbraw/zinc/19/42/68/212194268.db2.gz HBEIZXVFPCJMJO-UHFFFAOYSA-N 1 0 399.491 2.863 50 0 GFAARO CCOC(=O)N1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000009363923 212183968 /nfs/dbraw/zinc/18/39/68/212183968.db2.gz ZIOIGVMFBSKNLH-SFHVURJKSA-N 1 0 378.513 2.934 50 0 GFAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O ZINC000005034298 220816826 /nfs/dbraw/zinc/81/68/26/220816826.db2.gz CQODBKOOIPULNO-HOTGVXAUSA-N 1 0 396.491 2.912 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1 ZINC000007828966 221013927 /nfs/dbraw/zinc/01/39/27/221013927.db2.gz PKRJUILWNXPUOY-UHFFFAOYSA-N 1 0 394.523 2.832 50 0 GFAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000008878932 221062012 /nfs/dbraw/zinc/06/20/12/221062012.db2.gz FGYBNBDZKJHVEM-SFHVURJKSA-N 1 0 383.483 2.954 50 0 GFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000008596938 221045406 /nfs/dbraw/zinc/04/54/06/221045406.db2.gz MVRAVNGQTMVJAN-HNNXBMFYSA-N 1 0 388.512 2.948 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1noc2c1CCCCC2 ZINC000009227035 221075049 /nfs/dbraw/zinc/07/50/49/221075049.db2.gz QEYQKHKICQQSAQ-UHFFFAOYSA-N 1 0 382.508 2.886 50 0 GFAARO Cn1c(=O)c2c3c(sc2nc1N1CC[NH+](CCc2ccccc2)CC1)CCC3 ZINC000009304934 221077154 /nfs/dbraw/zinc/07/71/54/221077154.db2.gz OQXDCQIWNXLULO-UHFFFAOYSA-N 1 0 394.544 2.848 50 0 GFAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](CCCO)C3)n2)c(OC)c1OC ZINC000011774642 221124138 /nfs/dbraw/zinc/12/41/38/221124138.db2.gz SBJHCNOWHSITOT-CQSZACIVSA-N 1 0 391.468 2.747 50 0 GFAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011764234 221124635 /nfs/dbraw/zinc/12/46/35/221124635.db2.gz LXTWKJGQAJTECC-UHFFFAOYSA-N 1 0 394.479 2.691 50 0 GFAARO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CCCO)C3)n2)c(OC)c1OC ZINC000011774648 221124957 /nfs/dbraw/zinc/12/49/57/221124957.db2.gz SBJHCNOWHSITOT-AWEZNQCLSA-N 1 0 391.468 2.747 50 0 GFAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)[C@@H]1CCCO1 ZINC000011966094 221141143 /nfs/dbraw/zinc/14/11/43/221141143.db2.gz VLRDVESDIFMCFM-MJGOQNOKSA-N 1 0 376.472 2.635 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)COC)CC2)c(Cl)c1 ZINC000012028057 221144076 /nfs/dbraw/zinc/14/40/76/221144076.db2.gz JRLCXYZNRKTLQU-AWEZNQCLSA-N 1 0 384.904 2.594 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCn2cccn2)C1 ZINC000012094286 221150807 /nfs/dbraw/zinc/15/08/07/221150807.db2.gz KVPDHVBXBPXDMP-IBGZPJMESA-N 1 0 384.524 2.695 50 0 GFAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N[C@H]2CCOC2)c1 ZINC000012304621 221178522 /nfs/dbraw/zinc/17/85/22/221178522.db2.gz FJSWSGNGVSLGHV-IBGZPJMESA-N 1 0 395.503 2.952 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3(c4ccccc4)CC3)C2=O)c1 ZINC000012198082 221166674 /nfs/dbraw/zinc/16/66/74/221166674.db2.gz GSYGBRSITWAHDY-HSZRJFAPSA-N 1 0 380.488 2.828 50 0 GFAARO COC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012203878 221167804 /nfs/dbraw/zinc/16/78/04/221167804.db2.gz WOLUIVUGDGUYQZ-QGZVFWFLSA-N 1 0 383.492 2.890 50 0 GFAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1)N1CCOCC1 ZINC000012436262 221192893 /nfs/dbraw/zinc/19/28/93/221192893.db2.gz JBAKRERPBXXYMU-IBGZPJMESA-N 1 0 382.508 2.723 50 0 GFAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCn4cccn4)C3)C2=O)c1 ZINC000012455778 221198343 /nfs/dbraw/zinc/19/83/43/221198343.db2.gz LMMMPHYZPKRJTB-QFIPXVFZSA-N 1 0 382.508 2.797 50 0 GFAARO COc1ccc(OC)c(CC(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012456221 221198693 /nfs/dbraw/zinc/19/86/93/221198693.db2.gz PZELYTSMHONUSS-FQEVSTJZSA-N 1 0 394.515 2.994 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCC4=NNC(=O)CC4)C3)C2)c1 ZINC000012464558 221198744 /nfs/dbraw/zinc/19/87/44/221198744.db2.gz FGBXFKFZYIWAQW-HSZRJFAPSA-N 1 0 396.535 2.856 50 0 GFAARO COC(=O)c1cc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)oc1C ZINC000012549478 221204498 /nfs/dbraw/zinc/20/44/98/221204498.db2.gz IUNBJMFZXGCYMV-CMDGGOBGSA-N 1 0 383.448 2.778 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCc1cnccn1 ZINC000012575178 221208812 /nfs/dbraw/zinc/20/88/12/221208812.db2.gz YCNXCUCEARLRFD-SFHVURJKSA-N 1 0 384.499 2.961 50 0 GFAARO CC(=O)NCC(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000012585026 221209891 /nfs/dbraw/zinc/20/98/91/221209891.db2.gz JBPBBYOXIQFEGS-UHFFFAOYSA-N 1 0 399.457 2.554 50 0 GFAARO CCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012597443 221212475 /nfs/dbraw/zinc/21/24/75/221212475.db2.gz QPNGXHFWDOUVFI-UHFFFAOYSA-N 1 0 395.931 2.801 50 0 GFAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN(C)Cc2cc(C)no2)cc1OC ZINC000012705643 221219172 /nfs/dbraw/zinc/21/91/72/221219172.db2.gz WTSPMMMDWGJLDB-SFHVURJKSA-N 1 0 391.512 2.705 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cnc(C)cn4)C3)C2)c1 ZINC000012745689 221224205 /nfs/dbraw/zinc/22/42/05/221224205.db2.gz HOSDDSJDXGUTCN-QFIPXVFZSA-N 1 0 380.492 2.922 50 0 GFAARO Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012999447 221255318 /nfs/dbraw/zinc/25/53/18/221255318.db2.gz OGEBLGXGZQLMRL-UHFFFAOYSA-N 1 0 399.520 2.804 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013576189 221274218 /nfs/dbraw/zinc/27/42/18/221274218.db2.gz YYRKTOXXDWIDNM-JJNNYRRPSA-N 1 0 389.883 2.515 50 0 GFAARO COc1cc(Cl)cc(CNCCC[NH2+]CCO)c1OCc1ccccc1 ZINC000013733298 221285574 /nfs/dbraw/zinc/28/55/74/221285574.db2.gz UBDYBQYCVHRLBF-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014539839 221312136 /nfs/dbraw/zinc/31/21/36/221312136.db2.gz SBJBKLVCUSSYRR-UHFFFAOYSA-N 1 0 392.503 2.943 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014542382 221312278 /nfs/dbraw/zinc/31/22/78/221312278.db2.gz NJDBLDVQVIKPBY-SFHVURJKSA-N 1 0 393.491 2.810 50 0 GFAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1C ZINC000014967900 221321369 /nfs/dbraw/zinc/32/13/69/221321369.db2.gz MYXSAGZPHSXMMF-LJQANCHMSA-N 1 0 399.539 2.877 50 0 GFAARO O=C(Cc1cccc2ccccc21)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 ZINC000014966042 221322068 /nfs/dbraw/zinc/32/20/68/221322068.db2.gz CVSGXILFLWPTEK-UHFFFAOYSA-N 1 0 379.504 2.539 50 0 GFAARO COC(=O)CCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000014981183 221323268 /nfs/dbraw/zinc/32/32/68/221323268.db2.gz NWHPPDLWPNBJOT-QGZVFWFLSA-N 1 0 378.488 2.882 50 0 GFAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014542351 221312690 /nfs/dbraw/zinc/31/26/90/221312690.db2.gz FBPCUSCTPHYEDV-KRWDZBQOSA-N 1 0 384.549 2.565 50 0 GFAARO CCOc1ccc(C[NH+]2CCC(n3cc(C(=O)N(CC)CC)nn3)CC2)cc1 ZINC000014980277 221323372 /nfs/dbraw/zinc/32/33/72/221323372.db2.gz KMUZPSQSKQNMBU-UHFFFAOYSA-N 1 0 385.512 2.996 50 0 GFAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000014742749 221316343 /nfs/dbraw/zinc/31/63/43/221316343.db2.gz PKNPKWBMXAQLJQ-UHFFFAOYSA-N 1 0 397.475 2.725 50 0 GFAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000014755460 221317521 /nfs/dbraw/zinc/31/75/21/221317521.db2.gz PIZTXYNULQVOAI-UHFFFAOYSA-N 1 0 378.476 2.553 50 0 GFAARO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)c1C ZINC000014774844 221318067 /nfs/dbraw/zinc/31/80/67/221318067.db2.gz KHOAJONVYFXQPJ-GOSISDBHSA-N 1 0 399.491 2.994 50 0 GFAARO CCCn1nc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2ccccc2c1=O ZINC000015536750 221336720 /nfs/dbraw/zinc/33/67/20/221336720.db2.gz FJJXBNJRLRJORX-INIZCTEOSA-N 1 0 384.505 2.901 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)C(=O)c2ccco2)CC1 ZINC000015063310 221328135 /nfs/dbraw/zinc/32/81/35/221328135.db2.gz OERSCNQCKFCZJE-UHFFFAOYSA-N 1 0 384.476 2.884 50 0 GFAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCCOC(C)C)cc1 ZINC000015068227 221329429 /nfs/dbraw/zinc/32/94/29/221329429.db2.gz PBRXNZQNEDPHSN-IBGZPJMESA-N 1 0 376.497 2.759 50 0 GFAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+](CC)CC ZINC000015681851 221340652 /nfs/dbraw/zinc/34/06/52/221340652.db2.gz PMGXJJZFUSNFSJ-UHFFFAOYSA-N 1 0 388.487 2.999 50 0 GFAARO COC(=O)c1ccccc1NC(=O)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000015775237 221344203 /nfs/dbraw/zinc/34/42/03/221344203.db2.gz PKOPOYXOHNBYEC-UHFFFAOYSA-N 1 0 381.476 2.666 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770416 221344549 /nfs/dbraw/zinc/34/45/49/221344549.db2.gz FDOSZGFGGXEUNR-INIZCTEOSA-N 1 0 387.553 2.900 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000017296732 221382456 /nfs/dbraw/zinc/38/24/56/221382456.db2.gz XUGHQPZTEZGJGT-UHFFFAOYSA-N 1 0 377.851 2.972 50 0 GFAARO COc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017079781 221378894 /nfs/dbraw/zinc/37/88/94/221378894.db2.gz PNBXUXWMCVWYNC-UHFFFAOYSA-N 1 0 390.549 2.970 50 0 GFAARO COc1ccc(C(=O)N2CC(Oc3ccccc3Cl)C2)c(OCC[NH3+])c1 ZINC000426606753 533289997 /nfs/dbraw/zinc/28/99/97/533289997.db2.gz OERPREPDPKCTJP-UHFFFAOYSA-N 1 0 376.840 2.590 50 0 GFAARO Cc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000082230612 136174588 /nfs/dbraw/zinc/17/45/88/136174588.db2.gz FOXFJHRSJWAJDQ-UHFFFAOYSA-N 1 0 379.508 2.667 50 0 GFAARO COc1ccc2c(c1)CCN(C(=O)c1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000095366147 136178317 /nfs/dbraw/zinc/17/83/17/136178317.db2.gz KRSSFGMDHOYVAN-UHFFFAOYSA-N 1 0 379.504 2.688 50 0 GFAARO Cc1nc(SCC[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)n[nH]1 ZINC000095524457 136181402 /nfs/dbraw/zinc/18/14/02/136181402.db2.gz MILYMWKCWRPTPV-UHFFFAOYSA-N 1 0 389.554 2.777 50 0 GFAARO COc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 ZINC000022789472 221570530 /nfs/dbraw/zinc/57/05/30/221570530.db2.gz QQNJOTIYXHBNHG-HXUWFJFHSA-N 1 0 384.476 2.630 50 0 GFAARO CC(C)([NH3+])c1cn(C[C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000023620063 221601970 /nfs/dbraw/zinc/60/19/70/221601970.db2.gz ZXBGOAIIRSFKPE-OAHLLOKOSA-N 1 0 390.919 2.747 50 0 GFAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000053450089 222011681 /nfs/dbraw/zinc/01/16/81/222011681.db2.gz XKZJMKHKVCZDGP-UHFFFAOYSA-N 1 0 380.286 2.773 50 0 GFAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)s1 ZINC000055109177 222015719 /nfs/dbraw/zinc/01/57/19/222015719.db2.gz WWBPXRHHBQEQDK-IBGZPJMESA-N 1 0 380.460 2.978 50 0 GFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](c2cccnc2)N2CCOCC2)cc1 ZINC000055575364 222022664 /nfs/dbraw/zinc/02/26/64/222022664.db2.gz LYTRJZXENHYYBZ-FQEVSTJZSA-N 1 0 381.455 2.774 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)[C@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170207 222104540 /nfs/dbraw/zinc/10/45/40/222104540.db2.gz QFNXPAZRWCOFIT-HSZRJFAPSA-N 1 0 391.515 2.915 50 0 GFAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)CC1 ZINC000065210365 222111630 /nfs/dbraw/zinc/11/16/30/222111630.db2.gz LDBXMMFSFACKQA-UHFFFAOYSA-N 1 0 381.451 2.853 50 0 GFAARO CCC[NH+]1CCC(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000058267530 222047603 /nfs/dbraw/zinc/04/76/03/222047603.db2.gz BSNBOEAWLRWLDJ-CMDGGOBGSA-N 1 0 383.536 2.929 50 0 GFAARO COC(=O)c1sccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000058265589 222047974 /nfs/dbraw/zinc/04/79/74/222047974.db2.gz PHGWNKKLCCVBKF-ZIAGYGMSSA-N 1 0 395.525 2.888 50 0 GFAARO CC(=O)N1CCc2c(nc(C)nc2N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000071750420 222189775 /nfs/dbraw/zinc/18/97/75/222189775.db2.gz HHWIWYXVKYTKHM-HNNXBMFYSA-N 1 0 379.508 2.548 50 0 GFAARO Cc1c(C[NH2+]Cc2ccccc2Cn2cccn2)c2ccccc2n1CC(N)=O ZINC000067673069 222154010 /nfs/dbraw/zinc/15/40/10/222154010.db2.gz JHWDCFVDJAQDKR-UHFFFAOYSA-N 1 0 387.487 2.970 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(C)ccc3C)CC2)C1 ZINC000067756998 222157178 /nfs/dbraw/zinc/15/71/78/222157178.db2.gz IPLQMZSJIHHAGJ-FQEVSTJZSA-N 1 0 387.568 2.742 50 0 GFAARO Cc1cc(C[NH+]2CCN(c3nccnc3C)CC2)c(C)n1Cc1cccnc1 ZINC000067821056 222161540 /nfs/dbraw/zinc/16/15/40/222161540.db2.gz YDRVPYDSJLTBCH-UHFFFAOYSA-N 1 0 376.508 2.969 50 0 GFAARO COCC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCC3)c2C)C1 ZINC000069871336 222174398 /nfs/dbraw/zinc/17/43/98/222174398.db2.gz WOGSABBGLGMOPL-UHFFFAOYSA-N 1 0 397.523 2.643 50 0 GFAARO COc1c(C)cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000070922217 222177338 /nfs/dbraw/zinc/17/73/38/222177338.db2.gz BLJGUGSXCFKEHQ-UHFFFAOYSA-N 1 0 389.521 2.902 50 0 GFAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000071721457 222186955 /nfs/dbraw/zinc/18/69/55/222186955.db2.gz QCUIBYSADYPGCU-HXUWFJFHSA-N 1 0 398.551 2.591 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)Cc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071762920 222194539 /nfs/dbraw/zinc/19/45/39/222194539.db2.gz ISMXSKPPXWLTFV-MDNUFGMLSA-N 1 0 377.488 2.722 50 0 GFAARO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071762462 222194721 /nfs/dbraw/zinc/19/47/21/222194721.db2.gz CXOVHHUAHCDGSL-LJQANCHMSA-N 1 0 399.535 2.634 50 0 GFAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000071763672 222195764 /nfs/dbraw/zinc/19/57/64/222195764.db2.gz RBYZYDRFIYAZRV-IBGZPJMESA-N 1 0 382.508 2.667 50 0 GFAARO CN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071763481 222196173 /nfs/dbraw/zinc/19/61/73/222196173.db2.gz SIUXSDCUTMCZIG-KRWDZBQOSA-N 1 0 389.565 2.820 50 0 GFAARO C[C@@H](C1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)CC1)[NH+]1CCOCC1 ZINC000072131792 222209218 /nfs/dbraw/zinc/20/92/18/222209218.db2.gz GRQSQPKRHAGYHJ-HNNXBMFYSA-N 1 0 386.544 2.598 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CCc2nncn2C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072142211 222211074 /nfs/dbraw/zinc/21/10/74/222211074.db2.gz USUVDKJATKANHI-LJQANCHMSA-N 1 0 387.503 2.646 50 0 GFAARO Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000072171304 222216442 /nfs/dbraw/zinc/21/64/42/222216442.db2.gz OBXDAYGMLPIULG-HXUWFJFHSA-N 1 0 381.520 2.781 50 0 GFAARO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1 ZINC000072244160 222217873 /nfs/dbraw/zinc/21/78/73/222217873.db2.gz NPJGLVFCNOWDJW-LJQANCHMSA-N 1 0 398.898 2.667 50 0 GFAARO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000072309466 222223317 /nfs/dbraw/zinc/22/33/17/222223317.db2.gz GMCKXMPOAKRABF-ROUUACIJSA-N 1 0 384.524 2.995 50 0 GFAARO O=C([O-])CC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503931 222336427 /nfs/dbraw/zinc/33/64/27/222336427.db2.gz PABKTUDBJJDULD-JOCHJYFZSA-N 1 0 386.536 2.822 50 0 GFAARO Cc1cccnc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095503663 222336862 /nfs/dbraw/zinc/33/68/62/222336862.db2.gz CNYWMRLWYJSYBO-MTNREXPMSA-N 1 0 391.471 2.821 50 0 GFAARO Cn1cnnc1-c1ccc(NC(=O)NC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000095507849 222340140 /nfs/dbraw/zinc/34/01/40/222340140.db2.gz WMFPQRGNNOMSTM-UHFFFAOYSA-N 1 0 380.452 2.861 50 0 GFAARO c1cn(C2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2cnc(N3CCCC3)nc2)n1 ZINC000077320124 222277945 /nfs/dbraw/zinc/27/79/45/222277945.db2.gz SFNFQIMWXMDKRH-LJQANCHMSA-N 1 0 382.512 2.756 50 0 GFAARO CCS[C@@H](C)C(=O)N1CCC2(CN(CC[N@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000077524254 222285396 /nfs/dbraw/zinc/28/53/96/222285396.db2.gz VLHXTMDYFIQSBY-INIZCTEOSA-N 1 0 385.574 2.529 50 0 GFAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(C(=O)c3cccnc3)CC1)C2 ZINC000095516666 222344146 /nfs/dbraw/zinc/34/41/46/222344146.db2.gz RQKRGOLQVUUMGU-MRXNPFEDSA-N 1 0 381.476 2.536 50 0 GFAARO COc1cc(Cl)ccc1C(=O)N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000082091274 222308995 /nfs/dbraw/zinc/30/89/95/222308995.db2.gz YZRQKHUSUUBNHV-OAHLLOKOSA-N 1 0 379.932 2.837 50 0 GFAARO COCc1ncc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)cn1 ZINC000082108382 222309094 /nfs/dbraw/zinc/30/90/94/222309094.db2.gz LCHIOUJNIXPSPB-UHFFFAOYSA-N 1 0 378.480 2.658 50 0 GFAARO COc1ccc(CN2CCC(F)(F)CC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095523984 222347852 /nfs/dbraw/zinc/34/78/52/222347852.db2.gz ZGYULKKPIDTRJB-KRWDZBQOSA-N 1 0 384.467 2.762 50 0 GFAARO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc1 ZINC000095531397 222354026 /nfs/dbraw/zinc/35/40/26/222354026.db2.gz NRYUZWCBFYCFQH-GHTZIAJQSA-N 1 0 378.476 2.663 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3nc4ncccn4n3)C2)cc1 ZINC000095531595 222354711 /nfs/dbraw/zinc/35/47/11/222354711.db2.gz OTHWOBWSGWSQKV-LJQANCHMSA-N 1 0 394.523 2.519 50 0 GFAARO C[C@H](CCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000095968701 222366023 /nfs/dbraw/zinc/36/60/23/222366023.db2.gz DAACJUKNEOYBAJ-HUUCEWRRSA-N 1 0 381.480 2.730 50 0 GFAARO CCOC(=O)CCN1CCC([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000095986444 222369259 /nfs/dbraw/zinc/36/92/59/222369259.db2.gz UKUMUUJJRZSPIZ-UHFFFAOYSA-N 1 0 397.560 2.783 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O ZINC000096115640 222383239 /nfs/dbraw/zinc/38/32/39/222383239.db2.gz OGSOKNJLUWIKSP-MRXNPFEDSA-N 1 0 386.492 2.952 50 0 GFAARO Cc1ccc(-c2cccc(C(=O)N3CCCN(C)C4(CC[NH2+]CC4)C3)c2)cn1 ZINC000426689874 534187149 /nfs/dbraw/zinc/18/71/49/534187149.db2.gz NXOIXJSEWMPMRH-UHFFFAOYSA-N 1 0 378.520 2.957 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)csc2C1 ZINC000426401602 534361229 /nfs/dbraw/zinc/36/12/29/534361229.db2.gz CHQZUMSAPACPKD-HNNXBMFYSA-N 1 0 388.537 2.687 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCCC[NH+](C)C)csc2C1 ZINC000426370528 534362530 /nfs/dbraw/zinc/36/25/30/534362530.db2.gz QWHVJAXTSVHLKR-UHFFFAOYSA-N 1 0 376.526 2.593 50 0 GFAARO Cc1cccc(C)c1C[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426382880 534664755 /nfs/dbraw/zinc/66/47/55/534664755.db2.gz GTWMSVNAYURBAK-IBGZPJMESA-N 1 0 383.540 2.644 50 0 GFAARO CCNC(=O)c1ccc(-c2cccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2)s1 ZINC000426394758 528228021 /nfs/dbraw/zinc/22/80/21/528228021.db2.gz XJFNAJRZKNVEBB-KRWDZBQOSA-N 1 0 383.517 2.989 50 0 GFAARO CCc1nc2c(ncnc2N2CCC([NH2+]Cc3cc(C(C)(C)C)n[nH]3)CC2)o1 ZINC000095362106 536154743 /nfs/dbraw/zinc/15/47/43/536154743.db2.gz PTIMLFHGBBMESA-UHFFFAOYSA-N 1 0 383.500 2.959 50 0 GFAARO C[N@H+](CCNC(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1)C1CCCCC1 ZINC000096387308 536384471 /nfs/dbraw/zinc/38/44/71/536384471.db2.gz LOKDVQYZFJYVKM-QGZVFWFLSA-N 1 0 396.539 2.622 50 0 GFAARO CCOc1ccc(C(=O)N[C@H](NCC[NH+](C)C)C(Cl)(Cl)Cl)cc1 ZINC000020149937 551115809 /nfs/dbraw/zinc/11/58/09/551115809.db2.gz XDSVJTLZDKCZDW-AWEZNQCLSA-N 1 0 382.719 2.663 50 0 GFAARO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151354247 551411962 /nfs/dbraw/zinc/41/19/62/551411962.db2.gz HLSPSFNTYGPQFF-DOMZBBRYSA-N 1 0 379.448 2.814 50 0 GFAARO CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000167078595 551632860 /nfs/dbraw/zinc/63/28/60/551632860.db2.gz JIQYLUJAPCZVLK-SJORKVTESA-N 1 0 385.599 2.706 50 0 GFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000237383555 553077269 /nfs/dbraw/zinc/07/72/69/553077269.db2.gz PSWDBAMFNDVVNK-MZOGBMEOSA-N 1 0 387.343 2.675 50 0 GFAARO COc1cc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000019771202 570218011 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50 0 GFAARO Cc1ccc(C(=O)C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)c(C)c1 ZINC000048367465 570246764 /nfs/dbraw/zinc/24/67/64/570246764.db2.gz NAALFVYAISISBX-UHFFFAOYSA-N 1 0 385.508 2.919 50 0 GFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cnc(N3CCCC3)nc2)C1 ZINC000097730021 570252072 /nfs/dbraw/zinc/25/20/72/570252072.db2.gz FUDGIBFOXGSGRV-GOSISDBHSA-N 1 0 379.508 2.605 50 0 GFAARO O=C(c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1)N1CCC(O)CC1 ZINC000020421628 570255005 /nfs/dbraw/zinc/25/50/05/570255005.db2.gz QCSLWPOQBNBMKC-UHFFFAOYSA-N 1 0 393.531 2.601 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)CC1 ZINC000104841411 570260651 /nfs/dbraw/zinc/26/06/51/570260651.db2.gz BNIMRXBFSNUKOA-LJQANCHMSA-N 1 0 381.511 2.706 50 0 GFAARO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(F)cc3)n2)s1 ZINC000020503058 570264620 /nfs/dbraw/zinc/26/46/20/570264620.db2.gz NVJLSWNQAUQXJB-UHFFFAOYSA-N 1 0 391.457 2.820 50 0 GFAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531603 570265366 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CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000022936348 570338605 /nfs/dbraw/zinc/33/86/05/570338605.db2.gz FNYWEXWRWUEYPN-KRWDZBQOSA-N 1 0 377.529 2.563 50 0 GFAARO CCOc1cccc(CNCC[NH2+]CCO)c1OCc1ccc(Cl)cc1 ZINC000022937154 570338877 /nfs/dbraw/zinc/33/88/77/570338877.db2.gz OVODWVDJJSEARB-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO O=C(NCc1ccccn1)C1CC[NH+](C[C@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000023251326 570352875 /nfs/dbraw/zinc/35/28/75/570352875.db2.gz ZIZVLJMOYHHLFK-HSZRJFAPSA-N 1 0 397.494 2.907 50 0 GFAARO CSc1cccc(C[NH2+]Cc2c(C(=O)N3CCOCC3)nc3ccccn32)c1 ZINC000023339785 570355293 /nfs/dbraw/zinc/35/52/93/570355293.db2.gz ABBUWMVMRBFPAY-UHFFFAOYSA-N 1 0 396.516 2.818 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004336827 570369312 /nfs/dbraw/zinc/36/93/12/570369312.db2.gz LOBUABOINZONHD-UHFFFAOYSA-N 1 0 387.505 2.588 50 0 GFAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCC[N@@H+](C)C4CCCCC4)c3c2c1 ZINC000004961876 570383430 /nfs/dbraw/zinc/38/34/30/570383430.db2.gz AESDFYOZKLDKIA-UHFFFAOYSA-N 1 0 396.491 2.832 50 0 GFAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(CC)cc3)CC2)CC1 ZINC000004725536 570398274 /nfs/dbraw/zinc/39/82/74/570398274.db2.gz YKVKMIWKXZFKBD-UHFFFAOYSA-N 1 0 387.524 2.762 50 0 GFAARO O=C(NCCCN1CCc2ccccc21)NCc1cccnc1-n1ccnc1 ZINC000026387550 570425359 /nfs/dbraw/zinc/42/53/59/570425359.db2.gz QFMOWMBETZLMBF-UHFFFAOYSA-N 1 0 376.464 2.519 50 0 GFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000027336300 570433443 /nfs/dbraw/zinc/43/34/43/570433443.db2.gz CACUPVZPYYAYRD-IRXDYDNUSA-N 1 0 385.464 2.678 50 0 GFAARO Cc1ccc(N2C[C@H](C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2=O)cc1F ZINC000248085725 570438812 /nfs/dbraw/zinc/43/88/12/570438812.db2.gz FHAVVXFAEOBHMZ-IAGOWNOFSA-N 1 0 375.488 2.868 50 0 GFAARO COc1cc(CNC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc(OC)c1OC ZINC000029488381 570474819 /nfs/dbraw/zinc/47/48/19/570474819.db2.gz TXMAJAXVKAWTAN-SFHVURJKSA-N 1 0 384.476 2.948 50 0 GFAARO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000252508261 570477195 /nfs/dbraw/zinc/47/71/95/570477195.db2.gz XIMZYRJAMIFUED-INIZCTEOSA-N 1 0 382.512 2.715 50 0 GFAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000223797912 570485204 /nfs/dbraw/zinc/48/52/04/570485204.db2.gz HEFQWIUCYCMLMJ-OAHLLOKOSA-N 1 0 376.888 2.703 50 0 GFAARO CN(CC(F)F)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000072301417 570504932 /nfs/dbraw/zinc/50/49/32/570504932.db2.gz VSQPXEVXXIQQRH-ZDUSSCGKSA-N 1 0 399.869 2.881 50 0 GFAARO C[NH+]1CCC(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)CC1 ZINC000002779213 570516078 /nfs/dbraw/zinc/51/60/78/570516078.db2.gz OQVUTAUUQXZDIO-UHFFFAOYSA-N 1 0 393.369 2.832 50 0 GFAARO CCCC[N@H+](C)CCCNC(=O)CCCn1c2ccccc2c2cn[nH]c(=O)c21 ZINC000032988495 570575628 /nfs/dbraw/zinc/57/56/28/570575628.db2.gz NKSKKIDLTSGPGK-UHFFFAOYSA-N 1 0 397.523 2.896 50 0 GFAARO CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CC[NH+](C)C)C(=O)C(C)C ZINC000006766307 570576814 /nfs/dbraw/zinc/57/68/14/570576814.db2.gz TXQAZQWELMVNPG-UHFFFAOYSA-N 1 0 390.933 2.615 50 0 GFAARO CCOc1cc(CNCC[NH2+]CCO)ccc1OCc1cccc(Cl)c1 ZINC000040720277 570604474 /nfs/dbraw/zinc/60/44/74/570604474.db2.gz MMNBLZAGXVJBJW-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccco2)CC1 ZINC000036341536 570625971 /nfs/dbraw/zinc/62/59/71/570625971.db2.gz IVQZRQCLFOIAGY-LJQANCHMSA-N 1 0 384.455 2.734 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc3O2)[NH+]2CCCC2)cc1 ZINC000033023386 570651295 /nfs/dbraw/zinc/65/12/95/570651295.db2.gz BPOZJBGPSLROCQ-RXVVDRJESA-N 1 0 382.460 2.788 50 0 GFAARO CCNC(=O)[C@H](C)N1c2ccccc2NC2(CC[NH+](C[C@H](C)CC)CC2)C1=O ZINC000055119619 570683354 /nfs/dbraw/zinc/68/33/54/570683354.db2.gz DZJZLEQTEHVITB-SJORKVTESA-N 1 0 386.540 2.850 50 0 GFAARO CCNC(=O)[C@@H](C)N1c2ccccc2NC2(CC[NH+](C[C@H](C)CC)CC2)C1=O ZINC000055119622 570684051 /nfs/dbraw/zinc/68/40/51/570684051.db2.gz DZJZLEQTEHVITB-IAGOWNOFSA-N 1 0 386.540 2.850 50 0 GFAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)Cc3cccc(C)n3)CC2)c1 ZINC000244678758 570694793 /nfs/dbraw/zinc/69/47/93/570694793.db2.gz IJMPPPCENLAKMP-FQEVSTJZSA-N 1 0 380.536 2.958 50 0 GFAARO CC(C)C[NH+]1CCN(C(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1 ZINC000065274520 570776887 /nfs/dbraw/zinc/77/68/87/570776887.db2.gz HTIFFOWWZANOJB-UHFFFAOYSA-N 1 0 381.455 2.949 50 0 GFAARO Cc1c(C(N)=O)sc(NC(=O)C[N@H+](C)C2CCCCC2)c1C(=O)OC(C)C ZINC000006008350 570813411 /nfs/dbraw/zinc/81/34/11/570813411.db2.gz VIGSLMSELIBVBM-UHFFFAOYSA-N 1 0 395.525 2.924 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000031654034 570819239 /nfs/dbraw/zinc/81/92/39/570819239.db2.gz GTZAZBOPPKQQDF-HNNXBMFYSA-N 1 0 393.553 2.919 50 0 GFAARO CCC[NH+](CCC)CCCNC(=O)CN1c2ccccc2O[C@H](CC)C1=O ZINC000004687257 570831109 /nfs/dbraw/zinc/83/11/09/570831109.db2.gz OQXCZANOVPOJJX-GOSISDBHSA-N 1 0 375.513 2.819 50 0 GFAARO COc1cccc(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032827687 570840828 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CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccon1)C2 ZINC000014744659 221315617 /nfs/dbraw/zinc/31/56/17/221315617.db2.gz IFSNWVIGEKRLJK-INIZCTEOSA-N 1 0 385.512 2.944 50 0 GFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014746018 221316247 /nfs/dbraw/zinc/31/62/47/221316247.db2.gz FEUQUQNMXLASEE-OAHLLOKOSA-N 1 0 388.462 2.972 50 0 GFAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000014743080 221316522 /nfs/dbraw/zinc/31/65/22/221316522.db2.gz FQQVOOZYXIBRNY-HNNXBMFYSA-N 1 0 390.578 2.801 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000015361979 221334811 /nfs/dbraw/zinc/33/48/11/221334811.db2.gz APBVRDMSAFHXRK-UHFFFAOYSA-N 1 0 390.505 2.778 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ocnc3C)C2)cc1OC ZINC000015069600 221329919 /nfs/dbraw/zinc/32/99/19/221329919.db2.gz PEBRARUCYAXPHE-KRWDZBQOSA-N 1 0 387.480 2.779 50 0 GFAARO C[C@@H]1CSc2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2NC1=O ZINC000015730853 221342383 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GFAARO CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3cnccn3)C2)[NH+](C)C)cc1 ZINC000040063382 132393470 /nfs/dbraw/zinc/39/34/70/132393470.db2.gz SQZQWUALCUEUKL-PMACEKPBSA-N 1 0 381.524 2.675 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000058023243 136154356 /nfs/dbraw/zinc/15/43/56/136154356.db2.gz NCGJKHTZKKOOGS-GOSISDBHSA-N 1 0 397.498 2.613 50 0 GFAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000064450182 136156639 /nfs/dbraw/zinc/15/66/39/136156639.db2.gz YNUXLVFAHZIAQS-UHFFFAOYSA-N 1 0 393.413 2.832 50 0 GFAARO Cc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000072437028 136170271 /nfs/dbraw/zinc/17/02/71/136170271.db2.gz FZFUGKWUDAFEKN-UHFFFAOYSA-N 1 0 379.508 2.667 50 0 GFAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000095520478 136181167 /nfs/dbraw/zinc/18/11/67/136181167.db2.gz YBLDJEDFFQCFIY-UHFFFAOYSA-N 1 0 380.496 2.666 50 0 GFAARO CC(=O)N[C@H]1CC[N@@H+](C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)C1 ZINC000096135921 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GFAARO O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050026658 222002467 /nfs/dbraw/zinc/00/24/67/222002467.db2.gz XKGJWDYLFMYGMF-FQEVSTJZSA-N 1 0 375.476 2.796 50 0 GFAARO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000055408880 222022439 /nfs/dbraw/zinc/02/24/39/222022439.db2.gz DJSLMQVHDYKZII-MOPGFXCFSA-N 1 0 399.578 2.501 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989283 222093486 /nfs/dbraw/zinc/09/34/86/222093486.db2.gz LJQFUOWMLQGGPJ-UHFFFAOYSA-N 1 0 379.508 2.960 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)nnn2Cc1ccc(F)cc1 ZINC000065030432 222096464 /nfs/dbraw/zinc/09/64/64/222096464.db2.gz WCJGCNOKSAZHFO-UHFFFAOYSA-N 1 0 381.455 2.834 50 0 GFAARO CC[NH+](CC)CC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058077825 222038942 /nfs/dbraw/zinc/03/89/42/222038942.db2.gz BSTKHPXHJHCXHC-UHFFFAOYSA-N 1 0 386.945 2.694 50 0 GFAARO O=C(c1ccccc1F)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748507 222189975 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O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071662844 222184986 /nfs/dbraw/zinc/18/49/86/222184986.db2.gz AGYDRGNITTZJFO-HXUWFJFHSA-N 1 0 396.535 2.710 50 0 GFAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071736189 222187794 /nfs/dbraw/zinc/18/77/94/222187794.db2.gz HXRRIPPUOGGUJJ-FQEVSTJZSA-N 1 0 396.535 2.710 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745794 222188490 /nfs/dbraw/zinc/18/84/90/222188490.db2.gz ARXFALRSSFLGSJ-IBGZPJMESA-N 1 0 377.504 2.753 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CCc3ccccc3)C2=O)c1 ZINC000071753469 222192160 /nfs/dbraw/zinc/19/21/60/222192160.db2.gz QXJBMQPNVVKKPV-QFIPXVFZSA-N 1 0 386.467 2.520 50 0 GFAARO Cc1ccn2cc(Cn3nc([C@H]4CCC[NH2+]C4)n(-c4ccccc4)c3=O)nc2c1 ZINC000071756857 222192558 /nfs/dbraw/zinc/19/25/58/222192558.db2.gz BDUBWXMOGOMUSW-KRWDZBQOSA-N 1 0 388.475 2.505 50 0 GFAARO CN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071763480 222195446 /nfs/dbraw/zinc/19/54/46/222195446.db2.gz SIUXSDCUTMCZIG-QGZVFWFLSA-N 1 0 389.565 2.820 50 0 GFAARO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071776320 222197605 /nfs/dbraw/zinc/19/76/05/222197605.db2.gz QHJUCRNUHNPOIY-GOSISDBHSA-N 1 0 387.499 2.765 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCc2cn[nH]c2)Cc2ccccc2C1 ZINC000072161566 222215138 /nfs/dbraw/zinc/21/51/38/222215138.db2.gz ZNZUZLCRENALFB-UHFFFAOYSA-N 1 0 388.515 2.781 50 0 GFAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)COc3ccccc3Cl)CC2)[C@H]1O ZINC000072174098 222217264 /nfs/dbraw/zinc/21/72/64/222217264.db2.gz MNQDJVPPDGKNHC-UXHICEINSA-N 1 0 386.879 2.654 50 0 GFAARO CC[NH+](CC)CCN(CCNS(C)(=O)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000072313468 222225234 /nfs/dbraw/zinc/22/52/34/222225234.db2.gz AVWWFZSAWNRRKX-UHFFFAOYSA-N 1 0 396.384 2.686 50 0 GFAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)[C@@H]1Cc2ccccc2C(=O)N1 ZINC000072425263 222259217 /nfs/dbraw/zinc/25/92/17/222259217.db2.gz WXLSMJBVRLUPHB-FQEVSTJZSA-N 1 0 383.536 2.988 50 0 GFAARO COc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)cc1OCC(=O)[O-] ZINC000072447166 222262359 /nfs/dbraw/zinc/26/23/59/222262359.db2.gz SUZIISGYFQFACP-INIZCTEOSA-N 1 0 376.497 2.855 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cncnc3C)CC2)cc1 ZINC000095498238 222331913 /nfs/dbraw/zinc/33/19/13/222331913.db2.gz IEYBILCQTGSSIX-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO [NH3+][C@@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)c1ccccc1 ZINC000095499243 222334986 /nfs/dbraw/zinc/33/49/86/222334986.db2.gz AALQUVXVNPNPGJ-HXUWFJFHSA-N 1 0 375.476 2.732 50 0 GFAARO Cc1nnc(SCC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)s1 ZINC000095503528 222335695 /nfs/dbraw/zinc/33/56/95/222335695.db2.gz NTLIKIAXFNYWIM-JKSUJKDBSA-N 1 0 376.551 2.803 50 0 GFAARO COc1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ccc1F ZINC000095503225 222336173 /nfs/dbraw/zinc/33/61/73/222336173.db2.gz ILUXAAPBFVXWNT-UHFFFAOYSA-N 1 0 398.482 2.843 50 0 GFAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1c[nH]nc1-c1cccc(F)c1)CC2 ZINC000095507651 222340605 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CCSc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)s1 ZINC000077353490 222279905 /nfs/dbraw/zinc/27/99/05/222279905.db2.gz SAMRERKYBBSCCS-UONOGXRCSA-N 1 0 381.567 2.533 50 0 GFAARO C[N@H+](CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O)C1CCCCC1 ZINC000077470894 222283911 /nfs/dbraw/zinc/28/39/11/222283911.db2.gz XOGAZXYBLZHHFS-UHFFFAOYSA-N 1 0 377.529 2.864 50 0 GFAARO COc1ccc(OC2CCN(C(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000077520727 222284333 /nfs/dbraw/zinc/28/43/33/222284333.db2.gz CFCYFQGSEXJORL-HXUWFJFHSA-N 1 0 376.497 2.564 50 0 GFAARO CC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)C[NH+]1CCCC1 ZINC000082160471 222312791 /nfs/dbraw/zinc/31/27/91/222312791.db2.gz MFLXORUTNLEXEU-UHFFFAOYSA-N 1 0 387.572 2.627 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)COCC(F)(F)C(F)F)C[C@H]2[NH+](C)C)cc1 ZINC000095525934 222350241 /nfs/dbraw/zinc/35/02/41/222350241.db2.gz AQHIARQYESVNLU-LSDHHAIUSA-N 1 0 376.394 2.768 50 0 GFAARO CC(=O)c1c(C)cc(C)c(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000095962954 222365465 /nfs/dbraw/zinc/36/54/65/222365465.db2.gz YTSASOCIBPZGRZ-IBGZPJMESA-N 1 0 392.565 2.556 50 0 GFAARO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 ZINC000096007198 222371222 /nfs/dbraw/zinc/37/12/22/222371222.db2.gz CLEUNMAFXPTLEO-MRXNPFEDSA-N 1 0 384.505 2.973 50 0 GFAARO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012875 222371396 /nfs/dbraw/zinc/37/13/96/222371396.db2.gz WPTQKTNCUOCAHO-SFHVURJKSA-N 1 0 378.520 2.877 50 0 GFAARO COc1nn(C)c(C)c1NC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000096153174 222391503 /nfs/dbraw/zinc/39/15/03/222391503.db2.gz SNNBXSRKSFUPMW-UHFFFAOYSA-N 1 0 383.496 2.792 50 0 GFAARO CCn1nc(C)c(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1C ZINC000096180627 222397366 /nfs/dbraw/zinc/39/73/66/222397366.db2.gz VZXLCXRUPSUWBG-UHFFFAOYSA-N 1 0 385.560 2.624 50 0 GFAARO CC(=O)Nc1cc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000170598315 222554217 /nfs/dbraw/zinc/55/42/17/222554217.db2.gz JAJCZQXZAYSHGL-QRWLVFNGSA-N 1 0 389.521 2.923 50 0 GFAARO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)n(-c2ccc(C)cc2)n1 ZINC000095446634 533932271 /nfs/dbraw/zinc/93/22/71/533932271.db2.gz XAFJOGWRKYZJSX-QGZVFWFLSA-N 1 0 397.523 2.666 50 0 GFAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)CCc3ccccc3F)C2)CCC1=O ZINC000082099004 521772796 /nfs/dbraw/zinc/77/27/96/521772796.db2.gz OXTSEVSNODTKPS-QFIPXVFZSA-N 1 0 389.515 2.551 50 0 GFAARO C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2Cl)CC1 ZINC000000759437 523931325 /nfs/dbraw/zinc/93/13/25/523931325.db2.gz BBGLPNHSXQZQIJ-UHFFFAOYSA-N 1 0 377.279 2.933 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@H+](CCCn4cnnn4)C3)C2=O)cc1 ZINC000426551988 528091831 /nfs/dbraw/zinc/09/18/31/528091831.db2.gz NMUVCDZNVLLBNQ-QFIPXVFZSA-N 1 0 396.539 2.701 50 0 GFAARO CC1(C)CC(n2cc(-c3cnc(NC[C@H]4CCCO4)nc3)nn2)CC(C)(C)[NH2+]1 ZINC000091693589 528891683 /nfs/dbraw/zinc/89/16/83/528891683.db2.gz PCMWKOXQGGTLBO-MRXNPFEDSA-N 1 0 385.516 2.808 50 0 GFAARO CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)ncn1 ZINC000065245011 535521043 /nfs/dbraw/zinc/52/10/43/535521043.db2.gz PFZIMRSKCBKQAP-ROUUACIJSA-N 1 0 388.560 2.506 50 0 GFAARO C[NH+]1CCC(N2CCN(c3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000106954485 536340384 /nfs/dbraw/zinc/34/03/84/536340384.db2.gz DGADDJFGFBAAIX-LJQANCHMSA-N 1 0 388.943 2.855 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000040355230 551134413 /nfs/dbraw/zinc/13/44/13/551134413.db2.gz MLFVEHLQYIUVGU-UHFFFAOYSA-N 1 0 378.885 2.874 50 0 GFAARO O=S(=O)(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(F)c(Cl)c1 ZINC000225573220 553059758 /nfs/dbraw/zinc/05/97/58/553059758.db2.gz KMYIICKNSVAFBO-CYBMUJFWSA-N 1 0 392.949 2.975 50 0 GFAARO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000237115872 553074841 /nfs/dbraw/zinc/07/48/41/553074841.db2.gz NGQJMQSVVYOUJO-UHFFFAOYSA-N 1 0 377.286 2.767 50 0 GFAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000237316755 553076752 /nfs/dbraw/zinc/07/67/52/553076752.db2.gz VNQOAKFADKBAGN-SNVBAGLBSA-N 1 0 381.723 2.723 50 0 GFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc4ccccc4n3)cn2)CC1 ZINC000048249915 570222772 /nfs/dbraw/zinc/22/27/72/570222772.db2.gz NMTPREDEVDAPOR-UHFFFAOYSA-N 1 0 375.476 2.702 50 0 GFAARO COc1cc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000019840144 570224900 /nfs/dbraw/zinc/22/49/00/570224900.db2.gz GFROITFONXIPGT-NRFANRHFSA-N 1 0 384.520 2.815 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000048270187 570225688 /nfs/dbraw/zinc/22/56/88/570225688.db2.gz MWMJLELXHZSIGT-QKLQHJQFSA-N 1 0 387.524 2.902 50 0 GFAARO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000048301121 570234602 /nfs/dbraw/zinc/23/46/02/570234602.db2.gz GICSRADQSXQCFK-UYAOXDASSA-N 1 0 388.508 2.646 50 0 GFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)CCn2cnc3ccccc32)C1 ZINC000048354530 570241835 /nfs/dbraw/zinc/24/18/35/570241835.db2.gz WDILYIXRQIWVAJ-MJGOQNOKSA-N 1 0 398.532 2.791 50 0 GFAARO CCN1CC[NH+](C2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000020205088 570247756 /nfs/dbraw/zinc/24/77/56/570247756.db2.gz LGEYDECYSFREKB-UHFFFAOYSA-N 1 0 389.931 2.992 50 0 GFAARO OCC[C@@H]1C[N@H+](Cc2cccc3nccnc23)CCN1Cc1ccc(F)cc1 ZINC000020255247 570250155 /nfs/dbraw/zinc/25/01/55/570250155.db2.gz NHNPTHCXTSXCDL-HXUWFJFHSA-N 1 0 380.467 2.838 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1noc2c1CCCC2 ZINC000020458081 570259979 /nfs/dbraw/zinc/25/99/79/570259979.db2.gz BMCKUZYMOOOLSH-UHFFFAOYSA-N 1 0 386.471 2.635 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)CC1 ZINC000020543066 570267124 /nfs/dbraw/zinc/26/71/24/570267124.db2.gz RKHRELRYMJGRHN-IBGZPJMESA-N 1 0 381.511 2.706 50 0 GFAARO COc1ccccc1[C@@]1(CC[NH2+]CCN2CCOCC2)CCOC(C)(C)C1 ZINC000020590501 570269175 /nfs/dbraw/zinc/26/91/75/570269175.db2.gz AGSCXWRJQXEQAF-QFIPXVFZSA-N 1 0 376.541 2.834 50 0 GFAARO O=S1(=O)CCN(Cc2ccccc2OCCCC[NH+]2CCCCC2)CC1 ZINC000216047776 570295282 /nfs/dbraw/zinc/29/52/82/570295282.db2.gz HJACHRIKNPNWEE-UHFFFAOYSA-N 1 0 380.554 2.562 50 0 GFAARO Cc1ccc2c(c1)CCCN2CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022095651 570305714 /nfs/dbraw/zinc/30/57/14/570305714.db2.gz BGBACSQUCVXBTK-UHFFFAOYSA-N 1 0 385.552 2.899 50 0 GFAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000022239151 570309762 /nfs/dbraw/zinc/30/97/62/570309762.db2.gz VTZSEPKXKBNIII-UHFFFAOYSA-N 1 0 386.448 2.936 50 0 GFAARO Cc1ccc2[nH]c(SCC(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000022733666 570325599 /nfs/dbraw/zinc/32/55/99/570325599.db2.gz UCHHZIOSTRZTJI-HUUCEWRRSA-N 1 0 376.526 2.579 50 0 GFAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NC(=O)NC1CCCC1 ZINC000022785840 570327504 /nfs/dbraw/zinc/32/75/04/570327504.db2.gz DMYGEFPOZPZGJE-UHFFFAOYSA-N 1 0 394.519 2.726 50 0 GFAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000022937062 570338883 /nfs/dbraw/zinc/33/88/83/570338883.db2.gz JIKSJOUFKNYQDC-UHFFFAOYSA-N 1 0 382.468 2.505 50 0 GFAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 ZINC000022939878 570339259 /nfs/dbraw/zinc/33/92/59/570339259.db2.gz WACONDAHNQRSSL-UHFFFAOYSA-N 1 0 381.480 2.599 50 0 GFAARO COc1ccc(F)cc1[C@@H]1CCc2nc(C(=O)NCC[NH+]3CCCC3)cn2C1 ZINC000034899035 570343397 /nfs/dbraw/zinc/34/33/97/570343397.db2.gz UINLSBIFVLYIJK-OAHLLOKOSA-N 1 0 386.471 2.586 50 0 GFAARO CCOc1ccc(N2C[C@@H](C(=O)N3CC[NH+](C4CCCC4)CC3)CC2=O)cc1 ZINC000034916907 570345037 /nfs/dbraw/zinc/34/50/37/570345037.db2.gz ZCYYPKCHBUPVQK-KRWDZBQOSA-N 1 0 385.508 2.525 50 0 GFAARO C[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000219039347 570346518 /nfs/dbraw/zinc/34/65/18/570346518.db2.gz UCFYNFWBINJHGX-GOSISDBHSA-N 1 0 384.524 2.817 50 0 GFAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cccc4c3n2C[C@H](CC)O4)CC1 ZINC000035477431 570365925 /nfs/dbraw/zinc/36/59/25/570365925.db2.gz JUOVNANQGDFHRB-IBGZPJMESA-N 1 0 398.551 2.960 50 0 GFAARO O[C@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)CSc1ccc(F)cc1 ZINC000004299442 570366036 /nfs/dbraw/zinc/36/60/36/570366036.db2.gz NCCMJYHUZIELLX-GFCCVEGCSA-N 1 0 390.406 2.789 50 0 GFAARO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000219830099 570376100 /nfs/dbraw/zinc/37/61/00/570376100.db2.gz PYHPUQSBWISHFD-HNNXBMFYSA-N 1 0 381.467 2.606 50 0 GFAARO COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022794406 570377172 /nfs/dbraw/zinc/37/71/72/570377172.db2.gz QMTHCEPPMQCAJZ-FQEVSTJZSA-N 1 0 387.549 2.794 50 0 GFAARO COc1ccc([C@@H](NC(=O)CCC[NH+]2CCCCCC2)C2CC(O)C2)cn1 ZINC000219940403 570378656 /nfs/dbraw/zinc/37/86/56/570378656.db2.gz NGJXNIABVLIJPJ-WIXQSORDSA-N 1 0 375.513 2.675 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cn2)CC1 ZINC000024193281 570380461 /nfs/dbraw/zinc/38/04/61/570380461.db2.gz QOGPMMYZSPFZLZ-UHFFFAOYSA-N 1 0 377.492 2.564 50 0 GFAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)COc2ccc(Cl)cc2)[nH+]1 ZINC000090607809 570383697 /nfs/dbraw/zinc/38/36/97/570383697.db2.gz ONEPVUPEQYAQKU-UHFFFAOYSA-N 1 0 385.855 2.836 50 0 GFAARO CC(C)[C@H](NC(=O)CN1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000221982511 570405030 /nfs/dbraw/zinc/40/50/30/570405030.db2.gz SEVCPFYAKYBLMP-JKSBSHDWSA-N 1 0 389.540 2.686 50 0 GFAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025421848 570413701 /nfs/dbraw/zinc/41/37/01/570413701.db2.gz GSJXBQILYNSHQO-SJORKVTESA-N 1 0 389.521 2.550 50 0 GFAARO CCn1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000006432531 570417271 /nfs/dbraw/zinc/41/72/71/570417271.db2.gz ZKFHDWXGOZPOGN-KRWDZBQOSA-N 1 0 380.448 2.576 50 0 GFAARO O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2)[N+](=O)[O-] ZINC000100673837 570428290 /nfs/dbraw/zinc/42/82/90/570428290.db2.gz GHXGBUJRQJRUQY-YWZLYKJASA-N 1 0 382.420 2.864 50 0 GFAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1 ZINC000037555543 570430042 /nfs/dbraw/zinc/43/00/42/570430042.db2.gz OOYUTFNOFXLVNJ-UHFFFAOYSA-N 1 0 397.494 2.989 50 0 GFAARO CCC[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)NC(=O)N1CC ZINC000035991356 570505230 /nfs/dbraw/zinc/50/52/30/570505230.db2.gz PWUGESSWIDLILX-IBGZPJMESA-N 1 0 389.496 2.940 50 0 GFAARO C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCC[NH+](C)C ZINC000005271955 570547604 /nfs/dbraw/zinc/54/76/04/570547604.db2.gz MLIZVZOJQHORGJ-GFCCVEGCSA-N 1 0 392.883 2.770 50 0 GFAARO C[N@@H+]1CCCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032578983 570677967 /nfs/dbraw/zinc/67/79/67/570677967.db2.gz BKGVURGRYTZYTE-UHFFFAOYSA-N 1 0 392.459 2.947 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000036397006 570681309 /nfs/dbraw/zinc/68/13/09/570681309.db2.gz RLEJPETWTLKCFF-HOTGVXAUSA-N 1 0 379.932 2.944 50 0 GFAARO CCNC(=O)[C@H](C)N1c2ccccc2NC2(CC[NH+](CCC(C)C)CC2)C1=O ZINC000055153211 570684467 /nfs/dbraw/zinc/68/44/67/570684467.db2.gz ZMWJOAAEKQAKNK-KRWDZBQOSA-N 1 0 386.540 2.850 50 0 GFAARO Cc1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)nc(N(C)C)n1 ZINC000241515630 570687026 /nfs/dbraw/zinc/68/70/26/570687026.db2.gz OGQCGIKKCQCZAY-CQSZACIVSA-N 1 0 377.439 2.821 50 0 GFAARO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc2nsnc21 ZINC000058175115 570715927 /nfs/dbraw/zinc/71/59/27/570715927.db2.gz JPXCLMPSJCWZNB-UHFFFAOYSA-N 1 0 376.507 2.574 50 0 GFAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3c4c1cccc4C(=O)OC3)CC2 ZINC000253536483 570734239 /nfs/dbraw/zinc/73/42/39/570734239.db2.gz SJAPEVBRKNEFTH-UHFFFAOYSA-N 1 0 375.428 2.915 50 0 GFAARO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000101079773 570793836 /nfs/dbraw/zinc/79/38/36/570793836.db2.gz FYNNBNJJJSGXFF-SZPZYZBQSA-N 1 0 389.499 2.866 50 0 GFAARO C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000012517245 570826085 /nfs/dbraw/zinc/82/60/85/570826085.db2.gz CKHYEZXIIQFDTK-UHFFFAOYSA-N 1 0 390.487 2.812 50 0 GFAARO O=c1cc(C[NH2+]Cc2ccccc2)nc2[nH]c(NCc3ccccc3Cl)nn21 ZINC000101796224 570834262 /nfs/dbraw/zinc/83/42/62/570834262.db2.gz ROHNLEAOSAUNBY-UHFFFAOYSA-N 1 0 394.866 2.973 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc3ccccc3nc2N2CCOCC2)N1 ZINC000012540888 570840625 /nfs/dbraw/zinc/84/06/25/570840625.db2.gz RKOMSNLBANWBDO-HXUWFJFHSA-N 1 0 399.458 2.517 50 0 GFAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)Nc2cccnc2)CC1 ZINC000043942522 570841855 /nfs/dbraw/zinc/84/18/55/570841855.db2.gz BXAJKUSGBVABMZ-UHFFFAOYSA-N 1 0 398.532 2.770 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCC(C)(C)CO)Cc2ccccc2C1 ZINC000072144123 570870528 /nfs/dbraw/zinc/87/05/28/570870528.db2.gz LRUVSAUJTQKYQX-UHFFFAOYSA-N 1 0 380.532 2.833 50 0 GFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cn(Cc2ccccc2F)nn1 ZINC000072146671 570872194 /nfs/dbraw/zinc/87/21/94/570872194.db2.gz NLMRTLOXNMPOKG-MRXNPFEDSA-N 1 0 393.466 2.642 50 0 GFAARO C[C@H](O)[C@@H](NC(=O)C1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000097102679 570894699 /nfs/dbraw/zinc/89/46/99/570894699.db2.gz DRAJZGYLUVQRGO-KBXCAEBGSA-N 1 0 384.480 2.671 50 0 GFAARO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000032900867 570897252 /nfs/dbraw/zinc/89/72/52/570897252.db2.gz JAYVWTVWLVAGBS-IFMALSPDSA-N 1 0 382.504 2.819 50 0 GFAARO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097162456 570901119 /nfs/dbraw/zinc/90/11/19/570901119.db2.gz MPJJUHGQDOUXGF-OWCLPIDISA-N 1 0 393.532 2.680 50 0 GFAARO CO[C@]12CC[N@H+](Cc3cn(C)nc3-c3ccccc3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534585469 570904499 /nfs/dbraw/zinc/90/44/99/570904499.db2.gz IKQYQQSTSDHENI-RZUBCFFCSA-N 1 0 382.508 2.735 50 0 GFAARO Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089741057 570911255 /nfs/dbraw/zinc/91/12/55/570911255.db2.gz ZTMHOSVQEZMKJI-KBPBESRZSA-N 1 0 382.291 2.697 50 0 GFAARO O=C(NCc1ccccc1Cl)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127500 570912528 /nfs/dbraw/zinc/91/25/28/570912528.db2.gz OOHRGQNKYMOSAN-UHFFFAOYSA-N 1 0 389.883 2.578 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3ccc4c(c3)OCCO4)cn2)CC1 ZINC000122255074 570918068 /nfs/dbraw/zinc/91/80/68/570918068.db2.gz INYSTXHJJLWOTF-UHFFFAOYSA-N 1 0 396.491 2.521 50 0 GFAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1CCC(c2nnc[nH]2)CC1 ZINC000534669085 570920204 /nfs/dbraw/zinc/92/02/04/570920204.db2.gz DKKQCFFGMPLZQD-GOSISDBHSA-N 1 0 386.475 2.670 50 0 GFAARO COc1ccc(-c2c[n+](CC(=O)Nc3ccc4c(c3)OCO4)c3n2CCC3)cc1 ZINC000017015392 570937026 /nfs/dbraw/zinc/93/70/26/570937026.db2.gz DJFONCLYHVASHX-UHFFFAOYSA-O 1 0 392.435 2.765 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CO ZINC000019224613 570963858 /nfs/dbraw/zinc/96/38/58/570963858.db2.gz VFPDDSGJMLQMNR-IBGZPJMESA-N 1 0 392.503 2.953 50 0 GFAARO COc1ccc([C@H](C)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000107542271 570974285 /nfs/dbraw/zinc/97/42/85/570974285.db2.gz AKXSLJPREXHHFZ-KRWDZBQOSA-N 1 0 378.476 2.791 50 0 GFAARO CC[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)[N@H+](C)CC ZINC000091390914 571005812 /nfs/dbraw/zinc/00/58/12/571005812.db2.gz ZEECIHBFXJRBBE-LJQANCHMSA-N 1 0 386.540 2.543 50 0 GFAARO O=C(CCn1nnc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091441307 571008037 /nfs/dbraw/zinc/00/80/37/571008037.db2.gz ZBSADDWHJLNBET-WOJBJXKFSA-N 1 0 389.503 2.944 50 0 GFAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)cs1 ZINC000091604479 571017906 /nfs/dbraw/zinc/01/79/06/571017906.db2.gz NUNZFOURTASSJU-KRWDZBQOSA-N 1 0 375.538 2.605 50 0 GFAARO CC(C)c1cc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)n(C)n1 ZINC000091650518 571022607 /nfs/dbraw/zinc/02/26/07/571022607.db2.gz FUXYRXDIBBSFQZ-UHFFFAOYSA-N 1 0 384.528 2.818 50 0 GFAARO O=C(COc1ccccc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091706392 571026827 /nfs/dbraw/zinc/02/68/27/571026827.db2.gz CPGIAWKPABBDFA-IAGOWNOFSA-N 1 0 380.916 2.662 50 0 GFAARO CC(C)(CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)[NH+]1CCCCC1 ZINC000092061814 571043097 /nfs/dbraw/zinc/04/30/97/571043097.db2.gz GVJOSXIQNVGFCH-UHFFFAOYSA-N 1 0 387.572 2.770 50 0 GFAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1ccc3ccccc3c1)CC2 ZINC000092077248 571043938 /nfs/dbraw/zinc/04/39/38/571043938.db2.gz DRNPBRGWWAESIT-YADHBBJMSA-N 1 0 396.531 2.703 50 0 GFAARO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000092097203 571044845 /nfs/dbraw/zinc/04/48/45/571044845.db2.gz HLGQMMJLPGTLQD-JOCHJYFZSA-N 1 0 377.492 2.763 50 0 GFAARO CCOc1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)ccc1O ZINC000095347209 571050053 /nfs/dbraw/zinc/05/00/53/571050053.db2.gz YNCBXANLVPLPJT-QGZVFWFLSA-N 1 0 376.522 2.921 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1-c1ccccc1)C2 ZINC000095360916 571055015 /nfs/dbraw/zinc/05/50/15/571055015.db2.gz SDIPHIPJJZEBEU-IEBWSBKVSA-N 1 0 380.492 2.635 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2n[nH]c4c2CCC4)C3)cc1 ZINC000095364359 571057435 /nfs/dbraw/zinc/05/74/35/571057435.db2.gz WOZGRZJWBNVDCC-DLBZAZTESA-N 1 0 380.492 2.644 50 0 GFAARO COc1cccc2c1OCC(C[N@@H+]1C[C@H]3CC[C@@H]1CN(c1cnccn1)C3)=C2 ZINC000095364234 571057534 /nfs/dbraw/zinc/05/75/34/571057534.db2.gz DIKWHEQTFSHPAM-VQIMIIECSA-N 1 0 378.476 2.862 50 0 GFAARO Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095368132 571059404 /nfs/dbraw/zinc/05/94/04/571059404.db2.gz SHGPTSDLXFJIHL-GHTZIAJQSA-N 1 0 378.520 2.672 50 0 GFAARO Cn1cc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c2ccccc21 ZINC000095380802 571067549 /nfs/dbraw/zinc/06/75/49/571067549.db2.gz NMSPHGQLCFCROJ-QGZVFWFLSA-N 1 0 379.508 2.956 50 0 GFAARO CCc1cc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000095385386 571070030 /nfs/dbraw/zinc/07/00/30/571070030.db2.gz MLAXDNDLYUDNNQ-ZLGUVYLKSA-N 1 0 395.459 2.668 50 0 GFAARO Cc1sc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000276638048 655281726 /nfs/dbraw/zinc/28/17/26/655281726.db2.gz LUYSZFIBHIOCGD-VXGBXAGGSA-N 1 0 382.283 2.542 50 0 GFAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1ccccc1OC(F)(F)F ZINC000426485623 231225971 /nfs/dbraw/zinc/22/59/71/231225971.db2.gz LYKZNBPHIXXXQC-CYBMUJFWSA-N 1 0 382.386 2.565 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2)CC1 ZINC000409413295 529777636 /nfs/dbraw/zinc/77/76/36/529777636.db2.gz HDONQTZZABQPIM-UHFFFAOYSA-N 1 0 382.508 2.774 50 0 GFAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426528080 529973006 /nfs/dbraw/zinc/97/30/06/529973006.db2.gz SNZZVLAZYWRVQG-OAQYLSRUSA-N 1 0 388.471 2.978 50 0 GFAARO Cn1c(CSc2nc(N)cc(N)[nH+]2)nnc1SC/C=C/c1ccccc1 ZINC000004335107 204039616 /nfs/dbraw/zinc/03/96/16/204039616.db2.gz CLUNFIYWTAPTSB-VMPITWQZSA-N 1 0 385.522 2.867 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3Cl)C2=O)cc1 ZINC000004649063 204058952 /nfs/dbraw/zinc/05/89/52/204058952.db2.gz DZVWLWRPZDJQGJ-GOSISDBHSA-N 1 0 385.851 2.763 50 0 GFAARO CCCCN1N=[N+](c2cccc(OC)c2)C(=O)C1C(=O)Nc1cccc(OC)c1 ZINC000005274777 204123135 /nfs/dbraw/zinc/12/31/35/204123135.db2.gz WKPKFALKCHPDQN-UHFFFAOYSA-O 1 0 397.455 2.935 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2c1 ZINC000005274555 204123409 /nfs/dbraw/zinc/12/34/09/204123409.db2.gz HNUPGNKAUVIITP-HXUWFJFHSA-N 1 0 377.444 2.949 50 0 GFAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccccc1 ZINC000004998046 204101186 /nfs/dbraw/zinc/10/11/86/204101186.db2.gz BTFCDUSMEHOHDM-UHFFFAOYSA-N 1 0 385.493 2.680 50 0 GFAARO COc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000006785995 204205939 /nfs/dbraw/zinc/20/59/39/204205939.db2.gz HGLWGQNTCZOZJW-FQEVSTJZSA-N 1 0 399.466 2.517 50 0 GFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000006819822 204212628 /nfs/dbraw/zinc/21/26/28/204212628.db2.gz AVTVKIXODHMMLY-QGZVFWFLSA-N 1 0 382.508 2.989 50 0 GFAARO CCOC(=O)/C=C1\SCC(=O)N1CC[N@H+](C)Cc1ccc(SC)cc1 ZINC000006654490 204189212 /nfs/dbraw/zinc/18/92/12/204189212.db2.gz CTOHVJOBPZLVHL-BOPFTXTBSA-N 1 0 380.535 2.820 50 0 GFAARO CCCC[N@H+](C)CCNC(=O)Cn1ncc2c3ccccc3n(CCC)c2c1=O ZINC000006900059 204222824 /nfs/dbraw/zinc/22/28/24/204222824.db2.gz UJYURRSTRGQNRC-UHFFFAOYSA-N 1 0 397.523 2.609 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000007127189 204234033 /nfs/dbraw/zinc/23/40/33/204234033.db2.gz VFEPUDOVJZOZOF-AWEZNQCLSA-N 1 0 386.209 2.624 50 0 GFAARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000007389267 204239902 /nfs/dbraw/zinc/23/99/02/204239902.db2.gz ULOJNKBFAGZKFK-MRXNPFEDSA-N 1 0 379.526 2.530 50 0 GFAARO NC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000007459258 204241808 /nfs/dbraw/zinc/24/18/08/204241808.db2.gz IVPMMKMNGKVFFW-UHFFFAOYSA-N 1 0 375.488 2.684 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000007724442 204247679 /nfs/dbraw/zinc/24/76/79/204247679.db2.gz PPLHAKGCZGIQHG-SFHVURJKSA-N 1 0 390.487 2.659 50 0 GFAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000008878935 204292335 /nfs/dbraw/zinc/29/23/35/204292335.db2.gz FGYBNBDZKJHVEM-GOSISDBHSA-N 1 0 383.483 2.954 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)[NH+](C)C)cc1 ZINC000008037416 204259333 /nfs/dbraw/zinc/25/93/33/204259333.db2.gz FUKVAQIGZHSSLX-JXFKEZNVSA-N 1 0 399.466 2.606 50 0 GFAARO O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008326596 204271967 /nfs/dbraw/zinc/27/19/67/204271967.db2.gz FLURVOJZXDQBBP-FQEVSTJZSA-N 1 0 377.488 2.747 50 0 GFAARO O=C(N[C@@H]1CCOC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011668212 204349388 /nfs/dbraw/zinc/34/93/88/204349388.db2.gz CVDHXNZJARLTQG-LJQANCHMSA-N 1 0 381.476 2.644 50 0 GFAARO CSCCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000011701850 204351533 /nfs/dbraw/zinc/35/15/33/204351533.db2.gz BJVRNCYHOMNWIJ-MRXNPFEDSA-N 1 0 393.578 2.978 50 0 GFAARO CN(CC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)Cc1ccncc1 ZINC000011820688 204356606 /nfs/dbraw/zinc/35/66/06/204356606.db2.gz ZOLCHBVKWRICFM-JOCHJYFZSA-N 1 0 380.536 2.727 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCc2cn[nH]c2)CC1 ZINC000011842476 204356898 /nfs/dbraw/zinc/35/68/98/204356898.db2.gz JAJGOLAYGLSKDN-UHFFFAOYSA-N 1 0 384.524 2.764 50 0 GFAARO CC(C)=CC[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000011841810 204358239 /nfs/dbraw/zinc/35/82/39/204358239.db2.gz ONGXFJFAEBXGSY-SFHVURJKSA-N 1 0 381.524 2.912 50 0 GFAARO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012297204 204392095 /nfs/dbraw/zinc/39/20/95/204392095.db2.gz IVXXNUPGKYEOCB-NRFANRHFSA-N 1 0 399.535 2.948 50 0 GFAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@@H+]3CCC[C@@]123 ZINC000012304945 204392762 /nfs/dbraw/zinc/39/27/62/204392762.db2.gz QAIZAHZQKNWMRP-ZJBJCVSYSA-N 1 0 377.444 2.748 50 0 GFAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000012315026 204395417 /nfs/dbraw/zinc/39/54/17/204395417.db2.gz JSWGVUIRIZUAPB-MRXNPFEDSA-N 1 0 384.480 2.817 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(N(CC)Cc3nccn3C)nc2)CC[N@@H+]1C(C)C ZINC000012313728 204395934 /nfs/dbraw/zinc/39/59/34/204395934.db2.gz QWSXOVXOBYJCOX-IBGZPJMESA-N 1 0 398.555 2.786 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014748923 204542165 /nfs/dbraw/zinc/54/21/65/204542165.db2.gz OAUXWSQEAVIEFK-SFHVURJKSA-N 1 0 396.535 2.837 50 0 GFAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)s1 ZINC000033011436 204939420 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375.494 2.650 50 0 GFAARO CCOCCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048299542 205117858 /nfs/dbraw/zinc/11/78/58/205117858.db2.gz PVUPUUPSLZCBHD-KRWDZBQOSA-N 1 0 384.542 2.502 50 0 GFAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000048354441 205121908 /nfs/dbraw/zinc/12/19/08/205121908.db2.gz IDOOLYRGWJOXIU-QFIPXVFZSA-N 1 0 393.531 2.692 50 0 GFAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000049550432 205128960 /nfs/dbraw/zinc/12/89/60/205128960.db2.gz GFKYZAZBZIMRTN-GOSISDBHSA-N 1 0 385.512 2.514 50 0 GFAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000055228007 205145068 /nfs/dbraw/zinc/14/50/68/205145068.db2.gz IKNVYAPBJGMVBC-IBGZPJMESA-N 1 0 387.480 2.742 50 0 GFAARO CCCC(=O)Nc1ccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000055413490 205148661 /nfs/dbraw/zinc/14/86/61/205148661.db2.gz FQRBULFZSMAZFO-IBGZPJMESA-N 1 0 375.513 2.537 50 0 GFAARO O=C(NC1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 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1 0 379.464 2.947 50 0 GFAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)c3cnc(C)cn3)CC2)nc1 ZINC000067756861 205259123 /nfs/dbraw/zinc/25/91/23/205259123.db2.gz SQRGBWLPHHQXTE-UHFFFAOYSA-N 1 0 379.508 2.758 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1O ZINC000067803128 205260181 /nfs/dbraw/zinc/26/01/81/205260181.db2.gz AHMOQETXAJRUPS-IBGZPJMESA-N 1 0 399.535 2.640 50 0 GFAARO COc1cc(C)ccc1OCc1nc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)co1 ZINC000067842097 205262684 /nfs/dbraw/zinc/26/26/84/205262684.db2.gz DCRTVXUPIVCLQU-INIZCTEOSA-N 1 0 385.464 2.881 50 0 GFAARO O=C1O[C@@H]2C[N@H+](CCc3c[nH]c4ccccc34)C[C@@H]2N1CCc1ccccn1 ZINC000067841843 205263147 /nfs/dbraw/zinc/26/31/47/205263147.db2.gz QVQAPYTZHHRGPW-LEWJYISDSA-N 1 0 376.460 2.853 50 0 GFAARO Cc1nc2cc(OCc3nc(C(=O)N[C@@H]4CCC[N@@H+](C)C4)co3)ccc2s1 ZINC000067869382 205264833 /nfs/dbraw/zinc/26/48/33/205264833.db2.gz XBUBRSPJZXNLDA-CYBMUJFWSA-N 1 0 386.477 2.996 50 0 GFAARO C[NH+]1CCN(Cc2ccccc2Oc2ccc(C(=O)N3CCCC3)cn2)CC1 ZINC000067869092 205264857 /nfs/dbraw/zinc/26/48/57/205264857.db2.gz KOGSONGFPHTERB-UHFFFAOYSA-N 1 0 380.492 2.857 50 0 GFAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC[N@H+](C)CC3)nc2)C1 ZINC000067850405 205265011 /nfs/dbraw/zinc/26/50/11/205265011.db2.gz KSLXZZRNAYBSOS-LJQANCHMSA-N 1 0 386.540 2.691 50 0 GFAARO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067954801 205267560 /nfs/dbraw/zinc/26/75/60/205267560.db2.gz RQUOCAKAVKGYKA-INIZCTEOSA-N 1 0 383.448 2.828 50 0 GFAARO CSc1cccc(CN2CC[N@H+](C)C3(CCN(C(=O)N(C)C)CC3)C2)c1 ZINC000067973682 205269450 /nfs/dbraw/zinc/26/94/50/205269450.db2.gz RJCBXPKYXXMBDV-UHFFFAOYSA-N 1 0 376.570 2.672 50 0 GFAARO CN1c2ccccc2[C@](CC(=O)N2CCC(C[NH3+])CC2)(Cc2ccccc2)C1=O ZINC000071415701 205283614 /nfs/dbraw/zinc/28/36/14/205283614.db2.gz BTDUNJXQEMIOHM-XMMPIXPASA-N 1 0 391.515 2.731 50 0 GFAARO Cc1ccccc1CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071662547 205284767 /nfs/dbraw/zinc/28/47/67/205284767.db2.gz PKOGAOWOSKWZTB-OAQYLSRUSA-N 1 0 397.563 2.767 50 0 GFAARO O=C(NCC(F)F)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071747589 205289309 /nfs/dbraw/zinc/28/93/09/205289309.db2.gz KFCKSYRXFKXRMJ-GOSISDBHSA-N 1 0 379.495 2.787 50 0 GFAARO COc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071747753 205289487 /nfs/dbraw/zinc/28/94/87/205289487.db2.gz LZSWUSJOMWFIJN-LJQANCHMSA-N 1 0 386.471 2.883 50 0 GFAARO CCN(Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071747886 205290049 /nfs/dbraw/zinc/29/00/49/205290049.db2.gz SKHMZNLODQDLBK-FQEVSTJZSA-N 1 0 398.551 2.543 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCOCC1 ZINC000071753930 205290701 /nfs/dbraw/zinc/29/07/01/205290701.db2.gz TZSVHJMSOQHEBE-JOCHJYFZSA-N 1 0 399.579 2.654 50 0 GFAARO CC(C)c1nccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754145 205290934 /nfs/dbraw/zinc/29/09/34/205290934.db2.gz MWKVJAPVIAJPQR-KRWDZBQOSA-N 1 0 385.556 2.555 50 0 GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC(C)(C)CO)CC2)CC1 ZINC000071763853 205294741 /nfs/dbraw/zinc/29/47/41/205294741.db2.gz RLCVCXSOEDBAEJ-UHFFFAOYSA-N 1 0 387.568 2.559 50 0 GFAARO COc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764799 205294940 /nfs/dbraw/zinc/29/49/40/205294940.db2.gz HENSLMWPCSPDCQ-FQEVSTJZSA-N 1 0 385.552 2.994 50 0 GFAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CCCOc3ccccc3)CC2)[C@H]1O ZINC000072135161 205309001 /nfs/dbraw/zinc/30/90/01/205309001.db2.gz RRPWYCACSIGXEP-YADHBBJMSA-N 1 0 380.488 2.780 50 0 GFAARO COCCn1cncc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147212 205310336 /nfs/dbraw/zinc/31/03/36/205310336.db2.gz HUVKLUHPJFZYGJ-YTFSRNRJSA-N 1 0 380.536 2.900 50 0 GFAARO CNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000072143669 205310688 /nfs/dbraw/zinc/31/06/88/205310688.db2.gz DBFKWXUFQSKVOW-KRWDZBQOSA-N 1 0 393.553 2.512 50 0 GFAARO COc1cccc(-c2noc(-c3ccc(N4CCC[NH2+]CC4)nc3)n2)c1OC ZINC000072167577 205314698 /nfs/dbraw/zinc/31/46/98/205314698.db2.gz JSLPEFVMEHNNPT-UHFFFAOYSA-N 1 0 381.436 2.616 50 0 GFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)C[C@H](C)O1 ZINC000072454129 205352341 /nfs/dbraw/zinc/35/23/41/205352341.db2.gz UQSFSPWZJQLGPC-GASCZTMLSA-N 1 0 386.521 2.919 50 0 GFAARO Cc1ccc(CNc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)c(F)c1F ZINC000072481410 205355203 /nfs/dbraw/zinc/35/52/03/205355203.db2.gz QPYAWTRWEFCOQU-ZDUSSCGKSA-N 1 0 396.463 2.546 50 0 GFAARO O=S(=O)(c1ccc(-c2cc[nH]n2)o1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077504758 205363590 /nfs/dbraw/zinc/36/35/90/205363590.db2.gz JLAVNUXXAGSLLA-OAHLLOKOSA-N 1 0 378.498 2.699 50 0 GFAARO c1cn(CCc2noc(-c3ccccc3)n2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072408638 205346612 /nfs/dbraw/zinc/34/66/12/205346612.db2.gz VCBLUGUYAQBSRM-UHFFFAOYSA-N 1 0 375.436 2.533 50 0 GFAARO Cc1cc(CN2CCC3(CN(CCC[N@@H+](C)CC(C)C)C(=O)O3)CC2)on1 ZINC000072410051 205347702 /nfs/dbraw/zinc/34/77/02/205347702.db2.gz RCAMGRQCIZXWAE-UHFFFAOYSA-N 1 0 378.517 2.748 50 0 GFAARO O=C1CC[C@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1c[nH]cn1 ZINC000082116218 205387715 /nfs/dbraw/zinc/38/77/15/205387715.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 1 0 394.610 2.505 50 0 GFAARO Cn1cc(SCC(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c2ccccc21 ZINC000091563296 205418290 /nfs/dbraw/zinc/41/82/90/205418290.db2.gz XJECSXLVGHIOKN-AEFFLSMTSA-N 1 0 389.565 2.822 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CCCC2)c1 ZINC000237480800 205683057 /nfs/dbraw/zinc/68/30/57/205683057.db2.gz BFRVHFVTDLQKSN-ZWKOTPCHSA-N 1 0 392.565 2.976 50 0 GFAARO CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000012441394 205875244 /nfs/dbraw/zinc/87/52/44/205875244.db2.gz QCBAOEZTHMGXBT-UHFFFAOYSA-N 1 0 387.402 2.760 50 0 GFAARO CCOC(=O)C1([C@H](C)[NH2+]CCCCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000225406273 206045066 /nfs/dbraw/zinc/04/50/66/206045066.db2.gz WMZSMBYQJKCEGT-INIZCTEOSA-N 1 0 386.533 2.972 50 0 GFAARO O=C(CN1CC[NH+](CCc2cccs2)CC1)NCc1ccc(Cl)cc1 ZINC000058181357 206100557 /nfs/dbraw/zinc/10/05/57/206100557.db2.gz ZBVINUBSRGEAAQ-UHFFFAOYSA-N 1 0 377.941 2.878 50 0 GFAARO COc1ccc(CC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000032818676 206092179 /nfs/dbraw/zinc/09/21/79/206092179.db2.gz FZZDOUOQAMCLKJ-JOCHJYFZSA-N 1 0 381.520 2.733 50 0 GFAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc(OC)c1OC ZINC000240540889 206126964 /nfs/dbraw/zinc/12/69/64/206126964.db2.gz GPYSUEWPJNFKMS-RHSMWYFYSA-N 1 0 385.464 2.954 50 0 GFAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000012074385 221147366 /nfs/dbraw/zinc/14/73/66/221147366.db2.gz WZTYSKMVZGRDHM-QGZVFWFLSA-N 1 0 388.508 2.811 50 0 GFAARO CO[C@H]1CC[C@@]2(OC)CCN(C(=O)C3(c4ccccc4)CC[NH+](C)CC3)[C@H]2C1 ZINC000426550636 533260893 /nfs/dbraw/zinc/26/08/93/533260893.db2.gz OHXCWGNUQSXXIW-SXWKCWPCSA-N 1 0 386.536 2.835 50 0 GFAARO COc1ccc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)cc1OCC[NH3+] ZINC000426478163 533290826 /nfs/dbraw/zinc/29/08/26/533290826.db2.gz UCURIKVEUGBARF-LJQANCHMSA-N 1 0 390.505 2.680 50 0 GFAARO CNc1cc(C)[nH+]c(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091655906 136176847 /nfs/dbraw/zinc/17/68/47/136176847.db2.gz SSYMDBFFCOUYME-NRFANRHFSA-N 1 0 380.496 2.631 50 0 GFAARO Cc1ccc2[nH]c(CNC(=O)N3CCCN(c4cc[nH+]cc4C)CC3)nc2c1 ZINC000426408886 534497323 /nfs/dbraw/zinc/49/73/23/534497323.db2.gz DGUQNLMRGSWAMM-UHFFFAOYSA-N 1 0 378.480 2.997 50 0 GFAARO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)CC1 ZINC000065216005 535104462 /nfs/dbraw/zinc/10/44/62/535104462.db2.gz XPPWGGRCTHKLIU-UHFFFAOYSA-N 1 0 384.528 2.896 50 0 GFAARO COc1cc(N2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000072170463 536829468 /nfs/dbraw/zinc/82/94/68/536829468.db2.gz GBYBMSSBHBXIOS-QGZVFWFLSA-N 1 0 386.496 2.646 50 0 GFAARO Cc1ccc(NC(=O)N2CCC([NH+]3CCN(CCO)CC3)CC2)cc1C(C)C ZINC000096133547 570211966 /nfs/dbraw/zinc/21/19/66/570211966.db2.gz VYGZZGBZHWVWFM-UHFFFAOYSA-N 1 0 388.556 2.725 50 0 GFAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCc3cccc(F)c3)CC2)n1C ZINC000096148605 570214494 /nfs/dbraw/zinc/21/44/94/570214494.db2.gz WYIVFEHLDMZXJL-UHFFFAOYSA-N 1 0 382.487 2.930 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn3cc(C)ccc3n1)CC2 ZINC000096149290 570214899 /nfs/dbraw/zinc/21/48/99/570214899.db2.gz QNZNFFDMNGAKEY-UHFFFAOYSA-N 1 0 392.507 2.765 50 0 GFAARO COc1cc(C(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC ZINC000000976498 570232594 /nfs/dbraw/zinc/23/25/94/570232594.db2.gz QCNAYMQWEXXBLQ-RYRKJORJSA-N 1 0 386.492 2.682 50 0 GFAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000048311946 570233412 /nfs/dbraw/zinc/23/34/12/570233412.db2.gz LDYNOQGAHYTUGE-QGZVFWFLSA-N 1 0 395.503 2.713 50 0 GFAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccccc1-c1nn[nH]n1 ZINC000097179408 570238243 /nfs/dbraw/zinc/23/82/43/570238243.db2.gz NPEAIOKVEZCQCH-SFHVURJKSA-N 1 0 380.427 2.573 50 0 GFAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)cc1 ZINC000020706742 570275163 /nfs/dbraw/zinc/27/51/63/570275163.db2.gz UNARSDFGGVDASY-UHFFFAOYSA-N 1 0 377.492 2.881 50 0 GFAARO CN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000012296627 570293932 /nfs/dbraw/zinc/29/39/32/570293932.db2.gz CRTKFYNHSTYBSF-HIUFNZKISA-N 1 0 383.536 2.977 50 0 GFAARO Cc1cnc2c(Cl)c(C(=O)N[C@@H](C)C[N@@H+]3CCc4ccccc4C3)nn2c1 ZINC000216348724 570299297 /nfs/dbraw/zinc/29/92/97/570299297.db2.gz RYHVTEQVZGEJJA-AWEZNQCLSA-N 1 0 383.883 2.868 50 0 GFAARO CCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[NH+](C)C)c1=O ZINC000021938565 570300070 /nfs/dbraw/zinc/30/00/70/570300070.db2.gz ZVZFRARQGURLIQ-UHFFFAOYSA-N 1 0 380.492 2.591 50 0 GFAARO O=C(CCC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000216434696 570301660 /nfs/dbraw/zinc/30/16/60/570301660.db2.gz YKVZSDRTFOMMTA-LJQANCHMSA-N 1 0 376.472 2.892 50 0 GFAARO O=C(CN1CC[C@@H]1c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000072308974 570304328 /nfs/dbraw/zinc/30/43/28/570304328.db2.gz KSVNJIFKXWHEOA-MRXNPFEDSA-N 1 0 385.395 2.692 50 0 GFAARO CCOc1ccc(OCC(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000026148964 570312198 /nfs/dbraw/zinc/31/21/98/570312198.db2.gz YCRJWDXPOWQQBG-JOCHJYFZSA-N 1 0 397.519 2.569 50 0 GFAARO CN(CC(=O)Nc1cc2c(cc1Cl)OCO2)C[C@@H]1COc2ccccc2O1 ZINC000012945900 570316809 /nfs/dbraw/zinc/31/68/09/570316809.db2.gz MUEMGQWZPJUWEY-GFCCVEGCSA-N 1 0 390.823 2.779 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000034919111 570345030 /nfs/dbraw/zinc/34/50/30/570345030.db2.gz VEWSJPHPKXMXNM-IBGZPJMESA-N 1 0 383.536 2.948 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000023359133 570356065 /nfs/dbraw/zinc/35/60/65/570356065.db2.gz ZGYMLCPHDOXHEO-IBGZPJMESA-N 1 0 381.511 2.706 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000219970820 570379271 /nfs/dbraw/zinc/37/92/71/570379271.db2.gz RRAXXMMJAMIYDJ-QGZVFWFLSA-N 1 0 378.538 2.502 50 0 GFAARO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)C[C@@H](C)O1 ZINC000237558990 570379832 /nfs/dbraw/zinc/37/98/32/570379832.db2.gz ZUASCHWZXLNWRL-IAGOWNOFSA-N 1 0 378.476 2.874 50 0 GFAARO C[N@H+](CCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)C1CCCCC1 ZINC000033061232 570400762 /nfs/dbraw/zinc/40/07/62/570400762.db2.gz BFQCIDFGOIYFEU-UHFFFAOYSA-N 1 0 387.509 2.785 50 0 GFAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC1 ZINC000025258941 570409722 /nfs/dbraw/zinc/40/97/22/570409722.db2.gz IIJWIHDTBYEIFE-UHFFFAOYSA-N 1 0 398.459 2.715 50 0 GFAARO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000027365923 570433704 /nfs/dbraw/zinc/43/37/04/570433704.db2.gz ILQSQZZAWNBJSJ-INIZCTEOSA-N 1 0 391.523 2.552 50 0 GFAARO O=C(NC1CC1)[C@H]1Cc2ccccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035870109 570468501 /nfs/dbraw/zinc/46/85/01/570468501.db2.gz GINNXDMPBGHAJA-GMAHTHKFSA-N 1 0 391.515 2.707 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318281 570525107 /nfs/dbraw/zinc/52/51/07/570525107.db2.gz XGXVXHLIXCTBQL-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO O=C(CCN1CCCO1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012058505 570603481 /nfs/dbraw/zinc/60/34/81/570603481.db2.gz YUAMNLUDVQLANS-QHCPKHFHSA-N 1 0 385.552 2.961 50 0 GFAARO CC(C)(O)c1cn(C2CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nn1 ZINC000048488388 570658936 /nfs/dbraw/zinc/65/89/36/570658936.db2.gz JCWRIZTUYRXRPO-UHFFFAOYSA-N 1 0 391.560 2.616 50 0 GFAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)CC1 ZINC000012448313 570667411 /nfs/dbraw/zinc/66/74/11/570667411.db2.gz IUNHCLKUYPJIET-SFHVURJKSA-N 1 0 396.535 2.707 50 0 GFAARO O=C(CSc1ccncc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055052767 570680069 /nfs/dbraw/zinc/68/00/69/570680069.db2.gz FACHVKDWMXLWLA-HXUWFJFHSA-N 1 0 396.560 2.987 50 0 GFAARO O=C(C1CC[NH+](C2CCN(C/C=C/c3ccccc3)CC2)CC1)N1CCOCC1 ZINC000012570622 570680767 /nfs/dbraw/zinc/68/07/67/570680767.db2.gz QCRCKRKBQSEJMS-QPJJXVBHSA-N 1 0 397.563 2.735 50 0 GFAARO CC(C)n1cc(C[NH2+][C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000055060457 570680915 /nfs/dbraw/zinc/68/09/15/570680915.db2.gz RGHWFGXLJCUAEN-SFHVURJKSA-N 1 0 384.528 2.894 50 0 GFAARO CCNC(=O)[C@H](C)N1c2ccccc2NC2(CC[NH+](C[C@@H](C)CC)CC2)C1=O ZINC000055119621 570683835 /nfs/dbraw/zinc/68/38/35/570683835.db2.gz DZJZLEQTEHVITB-IRXDYDNUSA-N 1 0 386.540 2.850 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4cnccn4)C3)C2)c1 ZINC000012713389 570703229 /nfs/dbraw/zinc/70/32/29/570703229.db2.gz NXCWZZGUSMSCFM-QHCPKHFHSA-N 1 0 394.519 2.933 50 0 GFAARO O=C(CCN1C(=O)COc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017363030 570704865 /nfs/dbraw/zinc/70/48/65/570704865.db2.gz SJJSOJSQHDGWTN-UHFFFAOYSA-N 1 0 393.487 2.583 50 0 GFAARO Cc1nn(C)cc1CN(C)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012745639 570708105 /nfs/dbraw/zinc/70/81/05/570708105.db2.gz SXCACJOFOVOVNS-OAQYLSRUSA-N 1 0 386.540 2.586 50 0 GFAARO COc1ccc([C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)[NH+](C)C)cc1 ZINC000012908056 570727545 /nfs/dbraw/zinc/72/75/45/570727545.db2.gz QMIVBBMLJCKIQH-CYBMUJFWSA-N 1 0 380.374 2.867 50 0 GFAARO C[N@@H+](CC(=O)NC(C)(C)C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000189579224 570759005 /nfs/dbraw/zinc/75/90/05/570759005.db2.gz FBCKFQYGADQUAB-UHFFFAOYSA-N 1 0 375.513 2.882 50 0 GFAARO C[NH+]1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 ZINC000101892678 570838371 /nfs/dbraw/zinc/83/83/71/570838371.db2.gz UADNERSBNOYBDX-UHFFFAOYSA-N 1 0 377.423 2.915 50 0 GFAARO COc1ccc(NC(=O)[C@H]([NH2+]C2CCN(C(C)=O)CC2)c2ccccc2)cc1 ZINC000032853645 570854557 /nfs/dbraw/zinc/85/45/57/570854557.db2.gz PAKSJXIZPFJFPQ-OAQYLSRUSA-N 1 0 381.476 2.976 50 0 GFAARO CC(=O)Nc1cc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000170598317 570856872 /nfs/dbraw/zinc/85/68/72/570856872.db2.gz JAJCZQXZAYSHGL-FOIQADDNSA-N 1 0 389.521 2.923 50 0 GFAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014753891 570859384 /nfs/dbraw/zinc/85/93/84/570859384.db2.gz FQHKJNHJRTVFGS-UHFFFAOYSA-N 1 0 389.544 2.782 50 0 GFAARO C[C@@H](NC(=O)COc1ccc(-c2ncccn2)cc1C[NH+](C)C)c1nccs1 ZINC000014982556 570869624 /nfs/dbraw/zinc/86/96/24/570869624.db2.gz CHXMPFXEMGHQMW-CQSZACIVSA-N 1 0 397.504 2.918 50 0 GFAARO O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1CCCc1ccccc1 ZINC000014996416 570870903 /nfs/dbraw/zinc/87/09/03/570870903.db2.gz PSALFHXPUIMHMA-RTWAWAEBSA-N 1 0 396.539 2.760 50 0 GFAARO Cc1nc(C[C@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)no1 ZINC000170616841 570874144 /nfs/dbraw/zinc/87/41/44/570874144.db2.gz INPCZXPBOHDWBT-NHCUHLMSSA-N 1 0 384.524 2.924 50 0 GFAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 ZINC000012607874 570889595 /nfs/dbraw/zinc/88/95/95/570889595.db2.gz YZOOGKYQOQHTDU-HXUWFJFHSA-N 1 0 378.476 2.599 50 0 GFAARO COc1ccc(Cl)cc1CN(C)C(=O)NCC[C@H](C)[NH+]1CCN(C)CC1 ZINC000534655575 570915718 /nfs/dbraw/zinc/91/57/18/570915718.db2.gz XVSQLCGMTOIKRN-HNNXBMFYSA-N 1 0 382.936 2.516 50 0 GFAARO C[C@H](c1ccccn1)[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 ZINC000089909900 570919204 /nfs/dbraw/zinc/91/92/04/570919204.db2.gz MLBMTEAQMATJIC-MRXNPFEDSA-N 1 0 389.521 2.936 50 0 GFAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(-c2ccc(OC(F)F)cc2)cc1 ZINC000534674490 570921675 /nfs/dbraw/zinc/92/16/75/570921675.db2.gz BNXOXZTTXFJFOY-HXUWFJFHSA-N 1 0 376.403 2.799 50 0 GFAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccccc2C)c1 ZINC000016363022 570923374 /nfs/dbraw/zinc/92/33/74/570923374.db2.gz SWBDXKJHYSDBCT-UHFFFAOYSA-N 1 0 397.475 2.551 50 0 GFAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000017012473 570936985 /nfs/dbraw/zinc/93/69/85/570936985.db2.gz SVXMSONEOOIAAN-UHFFFAOYSA-N 1 0 383.471 2.877 50 0 GFAARO Cc1cc(C)c2c(OCC(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)nn(C)c2n1 ZINC000236821191 570943482 /nfs/dbraw/zinc/94/34/82/570943482.db2.gz HNIUPPHLJUQYJP-GOSISDBHSA-N 1 0 395.507 2.904 50 0 GFAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)CC1 ZINC000019228081 570964596 /nfs/dbraw/zinc/96/45/96/570964596.db2.gz SZUWSVVAZOUXOT-KRWDZBQOSA-N 1 0 379.476 2.573 50 0 GFAARO CCN1CC[NH+](CC2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000033312390 570971939 /nfs/dbraw/zinc/97/19/39/570971939.db2.gz ZWXJWGUPMVJTMT-UHFFFAOYSA-N 1 0 399.988 2.519 50 0 GFAARO COc1cc(C)c(C[NH2+]Cc2cccnc2N2CCN(C(C)=O)CC2)cc1C ZINC000019338163 570976532 /nfs/dbraw/zinc/97/65/32/570976532.db2.gz MDRHSGDBZDSCNO-UHFFFAOYSA-N 1 0 382.508 2.665 50 0 GFAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000109047787 570995742 /nfs/dbraw/zinc/99/57/42/570995742.db2.gz SUFUKTFASVRDSI-SVFBPWRDSA-N 1 0 385.552 2.704 50 0 GFAARO O=C1CCC2(CC[NH+](CCn3cc(Cl)cn3)CC2)CN1Cc1ccccn1 ZINC000091304459 571002709 /nfs/dbraw/zinc/00/27/09/571002709.db2.gz UCMREDGKMNLBJL-UHFFFAOYSA-N 1 0 387.915 2.836 50 0 GFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091326804 571004272 /nfs/dbraw/zinc/00/42/72/571004272.db2.gz PWALWENDJASCBW-FQEVSTJZSA-N 1 0 398.551 2.687 50 0 GFAARO Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)s1 ZINC000091434154 571007627 /nfs/dbraw/zinc/00/76/27/571007627.db2.gz LENXKOOYHPVMDO-INIZCTEOSA-N 1 0 375.538 2.605 50 0 GFAARO Cc1ccc(C)c(CC(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000091468501 571009816 /nfs/dbraw/zinc/00/98/16/571009816.db2.gz CPEHQVGSWSEGHN-UHFFFAOYSA-N 1 0 385.552 2.639 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091504572 571011375 /nfs/dbraw/zinc/01/13/75/571011375.db2.gz NAYJHANAPLERCJ-LJQANCHMSA-N 1 0 398.551 2.687 50 0 GFAARO COc1ccc([C@H]2CN(C(=O)c3[nH]c(-c4ccccc4)nc3C)C[C@@H]2[NH3+])cc1 ZINC000091636612 571020245 /nfs/dbraw/zinc/02/02/45/571020245.db2.gz JPFNLEZRLFHTHH-MOPGFXCFSA-N 1 0 376.460 2.961 50 0 GFAARO CC[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)[NH+]1CCCC1 ZINC000091657022 571023817 /nfs/dbraw/zinc/02/38/17/571023817.db2.gz LGQDXEOMSZAHFG-HXUWFJFHSA-N 1 0 398.551 2.687 50 0 GFAARO CCn1nc(C)c(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)c1C ZINC000091680544 571026048 /nfs/dbraw/zinc/02/60/48/571026048.db2.gz RMINNFOVJOORTC-UHFFFAOYSA-N 1 0 398.555 2.690 50 0 GFAARO Cc1ccccc1[C@H](CNC(=O)c1cnc(-c2ccccn2)nc1O)[NH+](C)C ZINC000091746045 571028801 /nfs/dbraw/zinc/02/88/01/571028801.db2.gz NVSXLRYGJFULBO-SFHVURJKSA-N 1 0 377.448 2.585 50 0 GFAARO Cc1noc(C)c1C[NH+]1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 ZINC000091877121 571034764 /nfs/dbraw/zinc/03/47/64/571034764.db2.gz ZVTSIMAMUBLEQU-UHFFFAOYSA-N 1 0 383.496 2.795 50 0 GFAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N(C)Cc3ncccc3C)C2)cc1 ZINC000091914752 571036051 /nfs/dbraw/zinc/03/60/51/571036051.db2.gz KVLKTXOPOPGMPY-ZWKOTPCHSA-N 1 0 380.492 2.521 50 0 GFAARO CSc1ccc(NC(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091951783 571037611 /nfs/dbraw/zinc/03/76/11/571037611.db2.gz GYMVQSUCACXSOQ-IBGZPJMESA-N 1 0 376.526 2.569 50 0 GFAARO C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000091974392 571038442 /nfs/dbraw/zinc/03/84/42/571038442.db2.gz RLJGRPIQVXNPCU-OAHLLOKOSA-N 1 0 397.441 2.654 50 0 GFAARO O=C(Cc1noc2ccccc12)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015675011 571041238 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2.653 50 0 GFAARO C[NH2+][C@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000095510806 571081993 /nfs/dbraw/zinc/08/19/93/571081993.db2.gz MXRRDHHHXQGXEU-NRFANRHFSA-N 1 0 389.503 2.993 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000095520936 571087084 /nfs/dbraw/zinc/08/70/84/571087084.db2.gz XUZIDCVPYHZZFA-UHFFFAOYSA-N 1 0 381.524 2.875 50 0 GFAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000095530731 571092756 /nfs/dbraw/zinc/09/27/56/571092756.db2.gz BKCHCKBUVUWLDD-UHFFFAOYSA-N 1 0 394.475 2.678 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000040160838 654620858 /nfs/dbraw/zinc/62/08/58/654620858.db2.gz YJHYNAASYQETSP-CJNGLKHVSA-N 1 0 375.519 2.970 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c(C)noc1C ZINC000263586699 231043991 /nfs/dbraw/zinc/04/39/91/231043991.db2.gz WZWNTSUHHBJKEQ-AZUAARDMSA-N 1 0 377.529 2.964 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@H]([NH3+])C4)csc3C2)nc1 ZINC000426433648 529643458 /nfs/dbraw/zinc/64/34/58/529643458.db2.gz LRFYGYIQABMQAZ-INIZCTEOSA-N 1 0 384.549 2.827 50 0 GFAARO C[NH+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003169993 203987246 /nfs/dbraw/zinc/98/72/46/203987246.db2.gz AXMHMMWJMITEFG-UHFFFAOYSA-N 1 0 378.338 2.954 50 0 GFAARO CCn1c(=O)cc(OCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004101638 204027641 /nfs/dbraw/zinc/02/76/41/204027641.db2.gz MJJAURQTBGYBOA-ROUUACIJSA-N 1 0 399.535 2.884 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(OC)c2)CC1 ZINC000004749081 204073516 /nfs/dbraw/zinc/07/35/16/204073516.db2.gz VHGMINWVWSMEER-UHFFFAOYSA-N 1 0 397.475 2.876 50 0 GFAARO CCOc1ccc(N2C[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2=O)cc1 ZINC000004535236 204051287 /nfs/dbraw/zinc/05/12/87/204051287.db2.gz YNBSZGIKYGEORH-OAHLLOKOSA-N 1 0 387.524 2.864 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938936 204094569 /nfs/dbraw/zinc/09/45/69/204094569.db2.gz MBRVFEZXPLEQAB-HNNXBMFYSA-N 1 0 380.492 2.634 50 0 GFAARO CN(C)S(=O)(=O)c1cccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000005659374 204144532 /nfs/dbraw/zinc/14/45/32/204144532.db2.gz PABPAPYQXOJKRL-UHFFFAOYSA-N 1 0 398.598 2.533 50 0 GFAARO CCCCn1c2nc(C[NH2+]C3CCC(C)CC3)n(CCC)c2c(=O)[nH]c1=O ZINC000006552186 204183556 /nfs/dbraw/zinc/18/35/56/204183556.db2.gz BWZDPHSUMHYNTC-UHFFFAOYSA-N 1 0 375.517 2.765 50 0 GFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccs2)N(CC[NH+](C)C)C1=O ZINC000006660672 204190784 /nfs/dbraw/zinc/19/07/84/204190784.db2.gz NJIJFDLYKYIDQO-QGZVFWFLSA-N 1 0 384.457 2.970 50 0 GFAARO CCC(CC)[NH2+]CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007156649 204235317 /nfs/dbraw/zinc/23/53/17/204235317.db2.gz RKXBCXCNXDFGRP-UHFFFAOYSA-N 1 0 397.541 2.587 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009737716 204322308 /nfs/dbraw/zinc/32/23/08/204322308.db2.gz DRBBNFNUZQTLLN-UHFFFAOYSA-N 1 0 377.510 2.692 50 0 GFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1ccccc1 ZINC000011615991 204347564 /nfs/dbraw/zinc/34/75/64/204347564.db2.gz ZILPYOIMNPCAJT-UHFFFAOYSA-N 1 0 376.464 2.580 50 0 GFAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1c(C)csc1=O ZINC000011556168 204348372 /nfs/dbraw/zinc/34/83/72/204348372.db2.gz UMHLVWHCHREGBL-UHFFFAOYSA-N 1 0 387.509 2.548 50 0 GFAARO CCOc1ccc(C(=O)N[C@H](C(=O)NCCC[NH+]2CCCCC2)C(C)C)cc1 ZINC000011713351 204351656 /nfs/dbraw/zinc/35/16/56/204351656.db2.gz MCVNDRNOAHNAIZ-FQEVSTJZSA-N 1 0 389.540 2.832 50 0 GFAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000011763629 204352419 /nfs/dbraw/zinc/35/24/19/204352419.db2.gz GYPXAXBRVXIBDS-HXUWFJFHSA-N 1 0 383.536 2.724 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3C4CC5CC(C4)CC3C5)C2=O)c1 ZINC000011839237 204356443 /nfs/dbraw/zinc/35/64/43/204356443.db2.gz HCTMHOIROZSZSR-INLXCBAXSA-N 1 0 398.547 2.963 50 0 GFAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c(OC)c1 ZINC000011933161 204362422 /nfs/dbraw/zinc/36/24/22/204362422.db2.gz BGVVZZBQGASZRG-INIZCTEOSA-N 1 0 386.496 2.736 50 0 GFAARO Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)[C@@H]2CCC[N@@H+](C)C2)C3)n1 ZINC000012040308 204368426 /nfs/dbraw/zinc/36/84/26/204368426.db2.gz AKYRJSNWLNNYOH-MSOLQXFVSA-N 1 0 380.492 2.522 50 0 GFAARO Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)n1 ZINC000012048832 204369003 /nfs/dbraw/zinc/36/90/03/204369003.db2.gz ASWPVLVKKWZZPD-KXBFYZLASA-N 1 0 398.482 2.804 50 0 GFAARO Cc1nonc1C(=O)N(Cc1cccc(OCC[NH+](C)C)c1)Cc1ccccn1 ZINC000012152891 204376596 /nfs/dbraw/zinc/37/65/96/204376596.db2.gz YOGLZNQKCIPVPM-UHFFFAOYSA-N 1 0 395.463 2.556 50 0 GFAARO COCCNC(=O)CCC1CC[NH+](Cc2sc(N(C)C)nc2Cl)CC1 ZINC000012301411 204391771 /nfs/dbraw/zinc/39/17/71/204391771.db2.gz NEPKBGDDVCCAKE-UHFFFAOYSA-N 1 0 388.965 2.617 50 0 GFAARO CC(C)OCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014749751 204541497 /nfs/dbraw/zinc/54/14/97/204541497.db2.gz AWNGQBBBALNJIV-IBGZPJMESA-N 1 0 398.551 2.954 50 0 GFAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030362717 204896568 /nfs/dbraw/zinc/89/65/68/204896568.db2.gz AJHPGJQBQFVESL-OAQYLSRUSA-N 1 0 397.494 2.755 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1 ZINC000030900474 204899355 /nfs/dbraw/zinc/89/93/55/204899355.db2.gz QSYLMXIIBGFFPP-UHFFFAOYSA-N 1 0 379.464 2.607 50 0 GFAARO C[C@@H]1CCc2c(sc3nc(SCC[NH+]4CCCCC4)n(N)c(=O)c32)C1 ZINC000036646185 205020018 /nfs/dbraw/zinc/02/00/18/205020018.db2.gz HODAKYUFURCYBF-GFCCVEGCSA-N 1 0 378.567 2.875 50 0 GFAARO COc1cccc(-c2noc(-c3ccc(N4CC[N@H+](C)[C@@H](C)C4)nc3)n2)c1OC ZINC000039413292 205042930 /nfs/dbraw/zinc/04/29/30/205042930.db2.gz WJEXUZBZQMVNLE-AWEZNQCLSA-N 1 0 395.463 2.956 50 0 GFAARO CC(C)C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[NH+]1CCCC1 ZINC000040120968 205056072 /nfs/dbraw/zinc/05/60/72/205056072.db2.gz XSAGRKUPGSSVCM-IBGZPJMESA-N 1 0 384.524 2.792 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)C1 ZINC000299740446 205092203 /nfs/dbraw/zinc/09/22/03/205092203.db2.gz ZYDYUYZSGJYJBA-AWEZNQCLSA-N 1 0 395.429 2.513 50 0 GFAARO Cc1ccccc1-n1cc(-c2ccnc(NCCC3(O)CC[NH+](C)CC3)n2)cn1 ZINC000048134986 205113456 /nfs/dbraw/zinc/11/34/56/205113456.db2.gz AOYVTXXSWUIBHM-UHFFFAOYSA-N 1 0 392.507 2.896 50 0 GFAARO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)ccc1OCCO ZINC000048275592 205117258 /nfs/dbraw/zinc/11/72/58/205117258.db2.gz IDCXKYOMDKBFGX-HNNXBMFYSA-N 1 0 382.464 2.713 50 0 GFAARO CC(=O)NCC1CC[NH+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)CC1 ZINC000048356921 205120702 /nfs/dbraw/zinc/12/07/02/205120702.db2.gz WUPIHEYCDPJMBA-UHFFFAOYSA-N 1 0 382.508 2.908 50 0 GFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000049132974 205126340 /nfs/dbraw/zinc/12/63/40/205126340.db2.gz NVFIZVXCJUTKPA-LJQANCHMSA-N 1 0 378.520 2.870 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000058407158 205174527 /nfs/dbraw/zinc/17/45/27/205174527.db2.gz IVCQJPHMEWRPQF-HOTGVXAUSA-N 1 0 380.483 2.821 50 0 GFAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000058407646 205174891 /nfs/dbraw/zinc/17/48/91/205174891.db2.gz VIVJEBCREQPPIC-HOCLYGCPSA-N 1 0 395.345 2.669 50 0 GFAARO CN1CC[NH+](CCCCNC(=O)c2cc3cccc(Br)c3o2)CC1 ZINC000058403594 205175441 /nfs/dbraw/zinc/17/54/41/205175441.db2.gz XFMBZJVVBBBOFW-UHFFFAOYSA-N 1 0 394.313 2.953 50 0 GFAARO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1OC ZINC000068985108 205181991 /nfs/dbraw/zinc/18/19/91/205181991.db2.gz UUIBOVCOLDRGAO-QGZVFWFLSA-N 1 0 388.439 2.963 50 0 GFAARO COc1cccc(Cn2nnc3cc(C(=O)NCC[NH+]4CCCCC4)ccc32)c1 ZINC000065030377 205207528 /nfs/dbraw/zinc/20/75/28/205207528.db2.gz OIZRAOSYOVOISI-UHFFFAOYSA-N 1 0 393.491 2.704 50 0 GFAARO CC(C)N1C(=O)Cc2ccccc2[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065169889 205214231 /nfs/dbraw/zinc/21/42/31/205214231.db2.gz LBGHQUXFVTZBNK-QFIPXVFZSA-N 1 0 383.536 2.998 50 0 GFAARO CCn1ccc(-c2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCCCC3)no2)n1 ZINC000065255024 205223025 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CCNc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000067601915 205250448 /nfs/dbraw/zinc/25/04/48/205250448.db2.gz BJARXMGBOANKPY-UHFFFAOYSA-N 1 0 376.411 2.849 50 0 GFAARO CC(C)NC(=O)[C@H](C)[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000067677144 205254464 /nfs/dbraw/zinc/25/44/64/205254464.db2.gz OVXHWIYMSGVRJJ-HNNXBMFYSA-N 1 0 375.517 2.562 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)CC3(CO)CCC3)C2=O)cc1 ZINC000067688806 205254888 /nfs/dbraw/zinc/25/48/88/205254888.db2.gz ZFTXUZBUFZVHNG-QHCPKHFHSA-N 1 0 388.552 2.758 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3C)CC2)C1 ZINC000067739396 205257407 /nfs/dbraw/zinc/25/74/07/205257407.db2.gz MCYNVDXPQWFYJZ-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3cc(C)ccc3C)C2=O)c1 ZINC000067805444 205260979 /nfs/dbraw/zinc/26/09/79/205260979.db2.gz PSLBIWOAMVDLQE-HSZRJFAPSA-N 1 0 382.504 2.955 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(OC)c(OC)c3)cnn2c1 ZINC000067820990 205262922 /nfs/dbraw/zinc/26/29/22/205262922.db2.gz LMPNQPVOECHGDM-UHFFFAOYSA-N 1 0 383.452 2.841 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)CCC[N@@H+]1CC1CC1 ZINC000071388848 205283557 /nfs/dbraw/zinc/28/35/57/205283557.db2.gz NKSWQKIHKKIMJG-IBGZPJMESA-N 1 0 378.538 2.673 50 0 GFAARO Cc1onc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1CO ZINC000071497933 205285562 /nfs/dbraw/zinc/28/55/62/205285562.db2.gz GVWYUVZKLYCWIK-LJQANCHMSA-N 1 0 389.471 2.987 50 0 GFAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071747792 205289296 /nfs/dbraw/zinc/28/92/96/205289296.db2.gz JKEJCBSJPXSZKK-FQEVSTJZSA-N 1 0 381.520 2.642 50 0 GFAARO CCN(CC)C(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071753373 205292288 /nfs/dbraw/zinc/29/22/88/205292288.db2.gz VCQGBLQMRRJHCF-IBGZPJMESA-N 1 0 377.504 2.753 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071771863 205297853 /nfs/dbraw/zinc/29/78/53/205297853.db2.gz VYEOTBYUXKRWLS-IBGZPJMESA-N 1 0 377.504 2.799 50 0 GFAARO Cc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071774434 205297899 /nfs/dbraw/zinc/29/78/99/205297899.db2.gz NXBMAYALIWIOAA-FQEVSTJZSA-N 1 0 383.536 2.934 50 0 GFAARO Cn1ncc2c1nc(-c1ccncc1)nc2N1CCC([NH+]2CCCCC2)CC1 ZINC000072119577 205304097 /nfs/dbraw/zinc/30/40/97/205304097.db2.gz YAWWNDXVMGPKTR-UHFFFAOYSA-N 1 0 377.496 2.880 50 0 GFAARO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072164152 205315036 /nfs/dbraw/zinc/31/50/36/205315036.db2.gz YMUJIODNVOVQPA-CEWLAPEOSA-N 1 0 382.483 2.878 50 0 GFAARO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C2)c1 ZINC000072168204 205316185 /nfs/dbraw/zinc/31/61/85/205316185.db2.gz UOQHVAUWMRPAKG-SFHVURJKSA-N 1 0 377.488 2.582 50 0 GFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000072303455 205322205 /nfs/dbraw/zinc/32/22/05/205322205.db2.gz KEOPJKMORRQBPG-POZUXBRTSA-N 1 0 377.916 2.660 50 0 GFAARO Cc1ccc(N2CCCC2=O)cc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072430224 205350354 /nfs/dbraw/zinc/35/03/54/205350354.db2.gz GBYFOUVXGFPADR-UHFFFAOYSA-N 1 0 376.464 2.664 50 0 GFAARO CN(Cc1nc2ccccc2s1)C(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077407986 205362515 /nfs/dbraw/zinc/36/25/15/205362515.db2.gz KWDMOBKCRYCHPE-AWEZNQCLSA-N 1 0 384.509 2.692 50 0 GFAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3c(C)nc4ccccn43)C2)CCC1=O ZINC000077520856 205365785 /nfs/dbraw/zinc/36/57/85/205365785.db2.gz IMHCGBBCVPOETE-QFIPXVFZSA-N 1 0 384.524 2.884 50 0 GFAARO CC(C)C[C@H](CNC(=O)NCc1nnc2n1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000078974069 205377710 /nfs/dbraw/zinc/37/77/10/205377710.db2.gz FBIFOPNODQQNCO-SJLPKXTDSA-N 1 0 384.528 2.789 50 0 GFAARO O=C(CC1CCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082098011 205384817 /nfs/dbraw/zinc/38/48/17/205384817.db2.gz BCVWLMOAQXUUAG-IBGZPJMESA-N 1 0 375.557 2.892 50 0 GFAARO CCN(C)C(=O)C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077487433 205364632 /nfs/dbraw/zinc/36/46/32/205364632.db2.gz JSAXGLSGEQWNTD-UHFFFAOYSA-N 1 0 377.916 2.633 50 0 GFAARO CC1CC[NH+](C[C@H](O)CNC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000084699882 205398809 /nfs/dbraw/zinc/39/88/09/205398809.db2.gz HCBMWUIYXSYHNI-MRXNPFEDSA-N 1 0 377.485 2.772 50 0 GFAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000237980769 205686190 /nfs/dbraw/zinc/68/61/90/205686190.db2.gz YERDJMDMHJOSMH-VIFPVBQESA-N 1 0 387.221 2.580 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000106088444 205816930 /nfs/dbraw/zinc/81/69/30/205816930.db2.gz MWMJLELXHZSIGT-MBOZVWFJSA-N 1 0 387.524 2.902 50 0 GFAARO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000106920723 205898174 /nfs/dbraw/zinc/89/81/74/205898174.db2.gz LGKGMYWJUMNVGA-YLJYHZDGSA-N 1 0 388.556 2.912 50 0 GFAARO COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127468 205971395 /nfs/dbraw/zinc/97/13/95/205971395.db2.gz IFEZVJJFSKGNJF-UHFFFAOYSA-N 1 0 385.464 2.564 50 0 GFAARO O=C(CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1F ZINC000028889650 206048827 /nfs/dbraw/zinc/04/88/27/206048827.db2.gz AMMZKSNRRABVSN-UHFFFAOYSA-N 1 0 399.466 2.743 50 0 GFAARO COc1ccc(CCC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000229687670 206107012 /nfs/dbraw/zinc/10/70/12/206107012.db2.gz CWHZEKZBOCHRHP-XYJFISCASA-N 1 0 378.488 2.867 50 0 GFAARO COc1ccc(Br)c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000032810305 206092490 /nfs/dbraw/zinc/09/24/90/206092490.db2.gz GUPOUGPSJGMQAF-OAHLLOKOSA-N 1 0 397.313 2.785 50 0 GFAARO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000241869077 206129683 /nfs/dbraw/zinc/12/96/83/206129683.db2.gz SUFNZSBFNQAHBB-STQMWFEESA-N 1 0 388.434 2.690 50 0 GFAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cn2)CC1)NCc1ccccc1F ZINC000244716210 206131352 /nfs/dbraw/zinc/13/13/52/206131352.db2.gz LKOFJOGVKYTWFR-UHFFFAOYSA-N 1 0 376.863 2.703 50 0 GFAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]CCc3ccncc3)CC2)c1 ZINC000299756775 206184194 /nfs/dbraw/zinc/18/41/94/206184194.db2.gz IVMVLBNIAXGMEZ-UHFFFAOYSA-N 1 0 388.537 2.644 50 0 GFAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)CN1Cc1ccccc1 ZINC000299790871 206191987 /nfs/dbraw/zinc/19/19/87/206191987.db2.gz CUYKDQRBWHZILM-PKTZIBPZSA-N 1 0 395.547 2.799 50 0 GFAARO CCn1cc(-c2cccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2)cn1 ZINC000299802213 206194078 /nfs/dbraw/zinc/19/40/78/206194078.db2.gz YCVNKGONBHIHKH-OAQYLSRUSA-N 1 0 382.508 2.943 50 0 GFAARO CC(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000121488001 206194645 /nfs/dbraw/zinc/19/46/45/206194645.db2.gz LGWHVXDSMWFJDE-NSHDSACASA-N 1 0 383.286 2.882 50 0 GFAARO C[C@H](C1CCN(C(=O)NCc2cc3ccccc3[nH]2)CC1)[NH+]1CCN(C)CC1 ZINC000426436770 533588841 /nfs/dbraw/zinc/58/88/41/533588841.db2.gz UFIHFPJWBVYZHI-QGZVFWFLSA-N 1 0 383.540 2.725 50 0 GFAARO COc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000064800052 136157637 /nfs/dbraw/zinc/15/76/37/136157637.db2.gz IWQHHLSFBLHRAD-UHFFFAOYSA-N 1 0 396.495 2.748 50 0 GFAARO OC1CC[NH+](C2CCN(c3ncc4c(n3)CCN4c3ccccc3)CC2)CC1 ZINC000065430613 136163920 /nfs/dbraw/zinc/16/39/20/136163920.db2.gz KURFBBHODDCUJA-UHFFFAOYSA-N 1 0 379.508 2.596 50 0 GFAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000090607829 136176038 /nfs/dbraw/zinc/17/60/38/136176038.db2.gz ZHUMUQRIZYSKJZ-QGZVFWFLSA-N 1 0 391.475 2.692 50 0 GFAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC[C@H](C)c2ccccc2)CC1 ZINC000022608963 136204223 /nfs/dbraw/zinc/20/42/23/136204223.db2.gz KIFPRKKBHVXVKI-FPOVZHCZSA-N 1 0 384.520 2.998 50 0 GFAARO Cc1cc(S(=O)(=O)N[C@H]2CC[C@H]2NC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000072475351 222264760 /nfs/dbraw/zinc/26/47/60/222264760.db2.gz INVNWXGMEXYPDZ-SJORKVTESA-N 1 0 385.599 2.637 50 0 GFAARO C[C@H](Cn1ccnc1)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072475713 222264975 /nfs/dbraw/zinc/26/49/75/222264975.db2.gz VVDKSXQFKXJCTG-GOSISDBHSA-N 1 0 384.480 2.637 50 0 GFAARO COc1cccc([C@@H]2CCCCN2C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000426477342 533725466 /nfs/dbraw/zinc/72/54/66/533725466.db2.gz GSKYJPUXQRBPEF-FQEVSTJZSA-N 1 0 375.513 2.779 50 0 GFAARO COc1ccc(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)c(F)c1 ZINC000426433937 534103541 /nfs/dbraw/zinc/10/35/41/534103541.db2.gz BZEIZCAJACTOJV-MRXNPFEDSA-N 1 0 378.492 2.858 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC000178984013 522056905 /nfs/dbraw/zinc/05/69/05/522056905.db2.gz DGDDRCUDMXAKQT-JTQLQIEISA-N 1 0 387.793 2.621 50 0 GFAARO C[N@H+](CCCO)C1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000116872447 536357099 /nfs/dbraw/zinc/35/70/99/536357099.db2.gz LKMKWXPNMFCAFP-UHFFFAOYSA-N 1 0 395.429 2.840 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc(-c4ccsc4)s3)cn2)CC1 ZINC000095958563 536420791 /nfs/dbraw/zinc/42/07/91/536420791.db2.gz FRVQBBMZQKRPHG-UHFFFAOYSA-N 1 0 399.545 2.948 50 0 GFAARO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151354176 551412138 /nfs/dbraw/zinc/41/21/38/551412138.db2.gz HLSPSFNTYGPQFF-SWLSCSKDSA-N 1 0 379.448 2.814 50 0 GFAARO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000527661298 564753990 /nfs/dbraw/zinc/75/39/90/564753990.db2.gz JHRYTGJQFSTMNK-UHFFFAOYSA-N 1 0 382.517 2.621 50 0 GFAARO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)sc1Cl ZINC000652383469 565927675 /nfs/dbraw/zinc/92/76/75/565927675.db2.gz VTNSEJPOGMDSES-XQQFMLRXSA-N 1 0 378.947 2.759 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)ccc1-n1cnnn1)c1ccco1 ZINC000096152759 570215829 /nfs/dbraw/zinc/21/58/29/570215829.db2.gz MRRXSPZKJDSSQJ-QGZVFWFLSA-N 1 0 383.456 2.768 50 0 GFAARO CCCN1CCc2nc[nH]c2C12CC[NH+](CCn1c3ccccc3oc1=O)CC2 ZINC000096163261 570217165 /nfs/dbraw/zinc/21/71/65/570217165.db2.gz BTOIMKMMJOMQMH-UHFFFAOYSA-N 1 0 395.507 2.577 50 0 GFAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc3c(c2)OCO3)c1=N ZINC000000780169 570222679 /nfs/dbraw/zinc/22/26/79/570222679.db2.gz LUISFFOEAJFISL-IBGZPJMESA-N 1 0 396.491 2.726 50 0 GFAARO C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000048290697 570229276 /nfs/dbraw/zinc/22/92/76/570229276.db2.gz XXDATOACHIBTRG-QGZVFWFLSA-N 1 0 384.549 2.772 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000020016798 570235098 /nfs/dbraw/zinc/23/50/98/570235098.db2.gz QCTFMDZMHKQBFU-KRWDZBQOSA-N 1 0 395.569 2.711 50 0 GFAARO Cc1cccc(-c2nc3ccc(NC(=O)N4C[C@H](O)[C@@H]([NH+](C)C)C4)cc3o2)c1 ZINC000097217352 570238905 /nfs/dbraw/zinc/23/89/05/570238905.db2.gz ILKSUXZGIFUTIP-ROUUACIJSA-N 1 0 380.448 2.942 50 0 GFAARO CCOC(=O)CN1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[C@@H](CO)C1 ZINC000097301461 570241177 /nfs/dbraw/zinc/24/11/77/570241177.db2.gz OGEFSQGRZRGVNX-QGZVFWFLSA-N 1 0 380.554 2.516 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccc2OC)C3)CC1 ZINC000015779547 570243465 /nfs/dbraw/zinc/24/34/65/570243465.db2.gz JTGWDAVTRODTCN-UHFFFAOYSA-N 1 0 381.524 2.576 50 0 GFAARO COc1ccccc1-c1ccc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000097729593 570252148 /nfs/dbraw/zinc/25/21/48/570252148.db2.gz NBTVLJWJZADASJ-LJQANCHMSA-N 1 0 380.492 2.874 50 0 GFAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020599919 570269651 /nfs/dbraw/zinc/26/96/51/570269651.db2.gz SBXPXZTVNZJMSY-MRXNPFEDSA-N 1 0 385.512 2.568 50 0 GFAARO CCc1nc2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006579578 570277729 /nfs/dbraw/zinc/27/77/29/570277729.db2.gz IIQBLNQEOCDSHU-UHFFFAOYSA-N 1 0 385.489 2.668 50 0 GFAARO OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1CCc1ccccc1 ZINC000020999901 570287337 /nfs/dbraw/zinc/28/73/37/570287337.db2.gz VHVMTLXMBOXJDK-NRFANRHFSA-N 1 0 382.504 2.569 50 0 GFAARO CCOc1cc(CNCC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000022075365 570305347 /nfs/dbraw/zinc/30/53/47/570305347.db2.gz HNQIGQARIHSSLE-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000023358015 570321566 /nfs/dbraw/zinc/32/15/66/570321566.db2.gz MYUVTGXKMYNOJW-OAQYLSRUSA-N 1 0 397.523 2.611 50 0 GFAARO COc1ccc([C@H](C[NH2+]Cc2cc(OC)ccc2OC)N2CCOCC2)cc1 ZINC000022934952 570338171 /nfs/dbraw/zinc/33/81/71/570338171.db2.gz AMWNJRRWXPKMHZ-NRFANRHFSA-N 1 0 386.492 2.876 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1 ZINC000034911051 570340793 /nfs/dbraw/zinc/34/07/93/570340793.db2.gz DLSZDXYFJREDSB-UHFFFAOYSA-N 1 0 375.476 2.684 50 0 GFAARO CC1CCN(C(=O)[C@H]2CC(=O)N(C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000034918838 570345058 /nfs/dbraw/zinc/34/50/58/570345058.db2.gz OEIWOZYDLLGGFS-FQEVSTJZSA-N 1 0 383.536 2.758 50 0 GFAARO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCC[NH+]1CCCCC1 ZINC000035399187 570349604 /nfs/dbraw/zinc/34/96/04/570349604.db2.gz PHFKCCALNLKLBS-UHFFFAOYSA-N 1 0 378.561 2.733 50 0 GFAARO Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237740698 570393400 /nfs/dbraw/zinc/39/34/00/570393400.db2.gz NHOJSKLRNCLUNF-UHFFFAOYSA-N 1 0 394.479 2.672 50 0 GFAARO COc1cccc(N2C[C@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2=O)c1 ZINC000025332377 570411494 /nfs/dbraw/zinc/41/14/94/570411494.db2.gz XTQVTWQQDOECBN-QAPCUYQASA-N 1 0 387.505 2.529 50 0 GFAARO CCn1c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2nc(C)c1=O ZINC000025813324 570420288 /nfs/dbraw/zinc/42/02/88/570420288.db2.gz WBLJOMCGYFAOLJ-GOSISDBHSA-N 1 0 384.505 2.819 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccn2n1 ZINC000032951678 570427172 /nfs/dbraw/zinc/42/71/72/570427172.db2.gz PZXZQHCOSCFROL-UHFFFAOYSA-N 1 0 397.910 2.930 50 0 GFAARO CC1(C)CC(NC(=O)c2cc3ncc(Br)cn3n2)CC(C)(C)[NH2+]1 ZINC000002789606 570514966 /nfs/dbraw/zinc/51/49/66/570514966.db2.gz JADDOQDJNSZEAF-UHFFFAOYSA-N 1 0 380.290 2.531 50 0 GFAARO CCCCOc1ccc(C(=O)N(CCC)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035421934 570552489 /nfs/dbraw/zinc/55/24/89/570552489.db2.gz YHUJBCJPWXZTSB-UHFFFAOYSA-N 1 0 375.513 2.540 50 0 GFAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1F ZINC000097590638 570554096 /nfs/dbraw/zinc/55/40/96/570554096.db2.gz CKBPZTXRAFIRJZ-GFCCVEGCSA-N 1 0 385.277 2.819 50 0 GFAARO Nc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)cn1 ZINC000012385911 570650863 /nfs/dbraw/zinc/65/08/63/570650863.db2.gz JVTQNAKCOGOQDS-MRXNPFEDSA-N 1 0 375.476 2.854 50 0 GFAARO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)C2)C1 ZINC000012429868 570658678 /nfs/dbraw/zinc/65/86/78/570658678.db2.gz FGNXCMXCVOPSKI-HXUWFJFHSA-N 1 0 387.915 2.928 50 0 GFAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000012435932 570662141 /nfs/dbraw/zinc/66/21/41/570662141.db2.gz YZQOGPYEPVJGER-GOSISDBHSA-N 1 0 395.503 2.891 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000012454077 570668656 /nfs/dbraw/zinc/66/86/56/570668656.db2.gz LEPCWRSWRXJMTJ-HXUWFJFHSA-N 1 0 397.519 2.745 50 0 GFAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000012597762 570690034 /nfs/dbraw/zinc/69/00/34/570690034.db2.gz IGDSROCESIKNOQ-MRXNPFEDSA-N 1 0 385.430 2.510 50 0 GFAARO O=C1O[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000012747966 570709215 /nfs/dbraw/zinc/70/92/15/570709215.db2.gz ANCGFPBLWXHZGE-ZWKOTPCHSA-N 1 0 381.879 2.970 50 0 GFAARO Cc1sc(-n2cnnn2)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000524732272 570767198 /nfs/dbraw/zinc/76/71/98/570767198.db2.gz BIXMFJMZMHBGLH-UHFFFAOYSA-N 1 0 396.520 2.735 50 0 GFAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000170085064 570803964 /nfs/dbraw/zinc/80/39/64/570803964.db2.gz XWFUAFXVIYPJLR-RBUKOAKNSA-N 1 0 390.553 2.946 50 0 GFAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014535290 570848203 /nfs/dbraw/zinc/84/82/03/570848203.db2.gz XCRQMDZSESSQAZ-SFHVURJKSA-N 1 0 381.524 2.961 50 0 GFAARO CC(C)CN1C[C@H](OCc2ccccc2F)CN(C2CC[NH+](C)CC2)CC1=O ZINC000014744590 570858487 /nfs/dbraw/zinc/85/84/87/570858487.db2.gz UEJAEABRGAHIIF-HXUWFJFHSA-N 1 0 391.531 2.605 50 0 GFAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000014741568 570858513 /nfs/dbraw/zinc/85/85/13/570858513.db2.gz DCLHEIADKKUVQF-QGZVFWFLSA-N 1 0 378.476 2.932 50 0 GFAARO CC(C)CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014752377 570859422 /nfs/dbraw/zinc/85/94/22/570859422.db2.gz UVCMJWDQORLHOU-KRWDZBQOSA-N 1 0 376.545 2.505 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ocnc1C ZINC000014976199 570868654 /nfs/dbraw/zinc/86/86/54/570868654.db2.gz URDFKSGCHVWIBG-GOSISDBHSA-N 1 0 397.519 2.951 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cn3nc(C)cc3C)CC2)CC1 ZINC000015061999 570874700 /nfs/dbraw/zinc/87/47/00/570874700.db2.gz YMQGBTCJOKZBEB-FQEVSTJZSA-N 1 0 389.588 2.545 50 0 GFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000015063945 570875034 /nfs/dbraw/zinc/87/50/34/570875034.db2.gz RXTJQVBMPOFTLS-HXUWFJFHSA-N 1 0 379.453 2.606 50 0 GFAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000015064351 570875268 /nfs/dbraw/zinc/87/52/68/570875268.db2.gz PAJGSJYDUUGDKQ-IBGZPJMESA-N 1 0 395.503 2.913 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2cnn3c2nc(C)cc3C)[NH+]2CCCC2)cc1 ZINC000045116093 570899266 /nfs/dbraw/zinc/89/92/66/570899266.db2.gz PZHDLSZDQSDSMA-FQEVSTJZSA-N 1 0 393.491 2.922 50 0 GFAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1F ZINC000023127437 570912361 /nfs/dbraw/zinc/91/23/61/570912361.db2.gz KCDOEVINIKRDNO-UHFFFAOYSA-N 1 0 387.430 2.932 50 0 GFAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C(C)(C)C)cc3)cc2n(C)c1=O ZINC000016322897 570922587 /nfs/dbraw/zinc/92/25/87/570922587.db2.gz OLNUWDLUKOYOKO-HXUWFJFHSA-N 1 0 383.492 2.878 50 0 GFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000017012204 570924281 /nfs/dbraw/zinc/92/42/81/570924281.db2.gz UWPDJXPWBXLVOF-UHFFFAOYSA-N 1 0 387.434 2.626 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(OC)c1OC ZINC000001263419 570951204 /nfs/dbraw/zinc/95/12/04/570951204.db2.gz OAKXFBOXXLQOHT-KRWDZBQOSA-N 1 0 376.497 2.937 50 0 GFAARO C[NH+]1CCC(N2CCN(C/C(Cl)=C/c3ccccc3)C[C@@H]2CCO)CC1 ZINC000019226971 570964151 /nfs/dbraw/zinc/96/41/51/570964151.db2.gz WGZAFJFJUYKEML-SACXWWFQSA-N 1 0 377.960 2.729 50 0 GFAARO Cc1cccn2c(C[NH2+][C@H](C)Cc3cccs3)c(C(=O)N3CCOCC3)nc12 ZINC000019229553 570964910 /nfs/dbraw/zinc/96/49/10/570964910.db2.gz GYWSIDWFVKXFPN-MRXNPFEDSA-N 1 0 398.532 2.897 50 0 GFAARO CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000252484050 570968525 /nfs/dbraw/zinc/96/85/25/570968525.db2.gz FMYWFMJEXGYGHO-UHFFFAOYSA-N 1 0 394.541 2.513 50 0 GFAARO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 ZINC000108455672 570988868 /nfs/dbraw/zinc/98/88/68/570988868.db2.gz BZHZTMHKFVBXPI-DZFGPLHGSA-N 1 0 379.504 2.945 50 0 GFAARO COc1cccc(CN2C[C@@H](c3nc(CC4CC[NH+](C)CC4)no3)CCC2=O)c1 ZINC000091504002 571011747 /nfs/dbraw/zinc/01/17/47/571011747.db2.gz MUKDBUNBXHWHEN-SFHVURJKSA-N 1 0 398.507 2.869 50 0 GFAARO CCOc1ncccc1C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091547334 571013811 /nfs/dbraw/zinc/01/38/11/571013811.db2.gz SUEXRNIWSIDVAU-UHFFFAOYSA-N 1 0 383.496 2.755 50 0 GFAARO COc1cc(OCc2ccccc2)ccc1CN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091746401 571028787 /nfs/dbraw/zinc/02/87/87/571028787.db2.gz ICABMKDQUSJDND-REWPJTCUSA-N 1 0 382.504 2.821 50 0 GFAARO Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091768979 571029680 /nfs/dbraw/zinc/02/96/80/571029680.db2.gz HXKMVWWAHJPXMY-PKOBYXMFSA-N 1 0 389.496 2.814 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C)CCC1=O ZINC000091860835 571034352 /nfs/dbraw/zinc/03/43/52/571034352.db2.gz QMVRZBIBJQCPSA-IBGZPJMESA-N 1 0 380.439 2.515 50 0 GFAARO CN(C)C(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091997225 571039514 /nfs/dbraw/zinc/03/95/14/571039514.db2.gz IPLXTKMDBGGLHH-FQEVSTJZSA-N 1 0 383.536 2.725 50 0 GFAARO CCN1C[C@]2(CCC[N@H+](Cc3cc(C(N)=O)oc3C(C)(C)C)C2)CCC1=O ZINC000092061886 571043037 /nfs/dbraw/zinc/04/30/37/571043037.db2.gz XJLHEBBQPRHVSL-OAQYLSRUSA-N 1 0 375.513 2.901 50 0 GFAARO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]1 ZINC000095353444 571051107 /nfs/dbraw/zinc/05/11/07/571051107.db2.gz HCZKOKJCSKMQIU-PKOBYXMFSA-N 1 0 383.467 2.867 50 0 GFAARO CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000095361684 571055466 /nfs/dbraw/zinc/05/54/66/571055466.db2.gz RKYWOOWZAZGYTC-QFBILLFUSA-N 1 0 383.471 2.784 50 0 GFAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1nc3ccccc3nc1C)CC2 ZINC000095362367 571056030 /nfs/dbraw/zinc/05/60/30/571056030.db2.gz GGIRYUIPACEMHS-UHFFFAOYSA-N 1 0 382.508 2.789 50 0 GFAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3ccccc31)C2 ZINC000095364286 571057417 /nfs/dbraw/zinc/05/74/17/571057417.db2.gz AGRDABQJYHGXDW-JKSUJKDBSA-N 1 0 379.464 2.904 50 0 GFAARO O=C(NCCc1nc(-c2cccnc2)no1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095366830 571058805 /nfs/dbraw/zinc/05/88/05/571058805.db2.gz WEPZSQPHRZSLDF-QGZVFWFLSA-N 1 0 377.448 2.571 50 0 GFAARO CCN1CC[NH+](C[C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@@H]2CO)CC1 ZINC000095371120 571061359 /nfs/dbraw/zinc/06/13/59/571061359.db2.gz ZLYWHQZPLFYDRH-QZTJIDSGSA-N 1 0 388.943 2.570 50 0 GFAARO CCn1nccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385162 571069953 /nfs/dbraw/zinc/06/99/53/571069953.db2.gz PMSOVEZYPUJRCS-CEWLAPEOSA-N 1 0 380.492 2.614 50 0 GFAARO CCc1cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000095391904 571073099 /nfs/dbraw/zinc/07/30/99/571073099.db2.gz WLSRQIHUMYVRSK-CEWLAPEOSA-N 1 0 381.476 2.948 50 0 GFAARO CC(C)(C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1)[NH+]1CCCC1 ZINC000095499421 571075315 /nfs/dbraw/zinc/07/53/15/571075315.db2.gz HYYMXNWQNWFCPM-INIZCTEOSA-N 1 0 387.553 2.968 50 0 GFAARO O=C([O-])CC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503930 571077433 /nfs/dbraw/zinc/07/74/33/571077433.db2.gz PABKTUDBJJDULD-QFIPXVFZSA-N 1 0 386.536 2.822 50 0 GFAARO CCc1ccc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCC[N@H+]3CC)CC2)[nH]1 ZINC000095508930 571080354 /nfs/dbraw/zinc/08/03/54/571080354.db2.gz IPPNCAICYNRHFV-IBGZPJMESA-N 1 0 388.556 2.810 50 0 GFAARO COc1c[nH]c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1=O ZINC000095509260 571080712 /nfs/dbraw/zinc/08/07/12/571080712.db2.gz 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381.476 2.796 50 0 GFAARO Cn1c(=O)cc(SCC(=O)NCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000005008322 204101882 /nfs/dbraw/zinc/10/18/82/204101882.db2.gz GQZHIYWUHSQMQV-UHFFFAOYSA-N 1 0 395.528 2.879 50 0 GFAARO CCC[NH+](CCC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841347 204215442 /nfs/dbraw/zinc/21/54/42/204215442.db2.gz WRMAWIXBPVDOSH-UHFFFAOYSA-N 1 0 390.553 2.955 50 0 GFAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccn2)N(CCC[NH+](C)C)C1=O ZINC000006660971 204190381 /nfs/dbraw/zinc/19/03/81/204190381.db2.gz PGTDIVFDRAWIQL-IBGZPJMESA-N 1 0 393.443 2.694 50 0 GFAARO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000007005176 204229720 /nfs/dbraw/zinc/22/97/20/204229720.db2.gz CWDOCAQASKSMKW-UHFFFAOYSA-N 1 0 393.509 2.813 50 0 GFAARO Cc1nc2ncnn2c(C)c1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008744687 204287092 /nfs/dbraw/zinc/28/70/92/204287092.db2.gz DDWSUXIJULWZGX-UHFFFAOYSA-N 1 0 384.528 2.589 50 0 GFAARO CC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2Br)CC1 ZINC000008121891 204261808 /nfs/dbraw/zinc/26/18/08/204261808.db2.gz GMKMDDMAKIRAEH-UHFFFAOYSA-N 1 0 382.302 2.578 50 0 GFAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnn1C ZINC000011818095 204354036 /nfs/dbraw/zinc/35/40/36/204354036.db2.gz JRQCIYQSOJHOBU-IBGZPJMESA-N 1 0 384.524 2.846 50 0 GFAARO C[NH+](C)C1(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CCCCC1 ZINC000012004914 204367833 /nfs/dbraw/zinc/36/78/33/204367833.db2.gz PNKLKEOQVGULLO-UHFFFAOYSA-N 1 0 375.904 2.974 50 0 GFAARO COc1cc(C)c(C[NH+]2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1C ZINC000012191420 204380495 /nfs/dbraw/zinc/38/04/95/204380495.db2.gz YUCNMOSVIKTFPS-UHFFFAOYSA-N 1 0 383.496 2.633 50 0 GFAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]1CO ZINC000012304073 204393405 /nfs/dbraw/zinc/39/34/05/204393405.db2.gz FWXSLTVTPONTDQ-IBGZPJMESA-N 1 0 395.503 2.722 50 0 GFAARO CSC[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308015 204393730 /nfs/dbraw/zinc/39/37/30/204393730.db2.gz FXAOAPNMFYEQHZ-QGZVFWFLSA-N 1 0 390.597 2.626 50 0 GFAARO COc1ccc2c(c1)C[C@H]([NH+]1CCC(CCC(=O)N3CCOCC3)CC1)CC2 ZINC000012593856 204429256 /nfs/dbraw/zinc/42/92/56/204429256.db2.gz VCJSVIYLGWCIBO-OAQYLSRUSA-N 1 0 386.536 2.904 50 0 GFAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000014540570 204536389 /nfs/dbraw/zinc/53/63/89/204536389.db2.gz DPSMAXUEQDNFSA-QGZVFWFLSA-N 1 0 393.466 2.531 50 0 GFAARO CCOc1ccc(Br)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000032911880 204928596 /nfs/dbraw/zinc/92/85/96/204928596.db2.gz FZNFROOTOHMXNW-UHFFFAOYSA-N 1 0 391.331 2.563 50 0 GFAARO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036101708 205005179 /nfs/dbraw/zinc/00/51/79/205005179.db2.gz JYTFAKDBGKCQNC-HSZRJFAPSA-N 1 0 398.547 2.878 50 0 GFAARO COc1ccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096089 205005646 /nfs/dbraw/zinc/00/56/46/205005646.db2.gz BLGYYDZTZGPETQ-ROUUACIJSA-N 1 0 381.513 2.861 50 0 GFAARO CSc1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000070896012 205024980 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CS(=O)(=O)c1cnc(COc2cccc(Cl)c2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071770892 205297155 /nfs/dbraw/zinc/29/71/55/205297155.db2.gz RXXZUHDQECAEML-GFCCVEGCSA-N 1 0 381.885 2.580 50 0 GFAARO O=C(c1cccnc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072128833 205307002 /nfs/dbraw/zinc/30/70/02/205307002.db2.gz SUCUKFMCKNCUJP-IOMROCGXSA-N 1 0 377.444 2.513 50 0 GFAARO Cc1c[nH]c(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072144563 205310185 /nfs/dbraw/zinc/31/01/85/205310185.db2.gz LLLXXLHCWJGCDS-ZLGUVYLKSA-N 1 0 379.460 2.754 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCn2ccnc2)Cc2ccccc2C1 ZINC000072161552 205312121 /nfs/dbraw/zinc/31/21/21/205312121.db2.gz ZRNHCSSJAMKZQP-UHFFFAOYSA-N 1 0 388.515 2.711 50 0 GFAARO O=C(c1cnn2ccccc12)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072158530 205313350 /nfs/dbraw/zinc/31/33/50/205313350.db2.gz DAYZCNMXPJWMAS-KSEOMHKRSA-N 1 0 388.471 2.742 50 0 GFAARO C[C@H]1CN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CCN1C 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C[NH2+]C1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 ZINC000237142333 205671172 /nfs/dbraw/zinc/67/11/72/205671172.db2.gz WSTBGZJDOPHRLZ-UHFFFAOYSA-N 1 0 377.286 2.767 50 0 GFAARO CC(=O)NCC1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000225675983 206065908 /nfs/dbraw/zinc/06/59/08/206065908.db2.gz QQYLOYSWIRZDHK-UHFFFAOYSA-N 1 0 387.524 2.883 50 0 GFAARO CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C[NH2+][C@H](C)CO)CC1 ZINC000299760823 206186453 /nfs/dbraw/zinc/18/64/53/206186453.db2.gz KGDFIPXMACRXEZ-MRXNPFEDSA-N 1 0 385.508 2.793 50 0 GFAARO COCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCc1ccccc1)C3 ZINC000299778871 206190267 /nfs/dbraw/zinc/19/02/67/206190267.db2.gz OZWXCDHJFOZXDV-INIZCTEOSA-N 1 0 383.517 2.794 50 0 GFAARO Cc1noc(C)c1CCC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058167765 136154825 /nfs/dbraw/zinc/15/48/25/136154825.db2.gz RIJWDJXTWJIPJW-CQSZACIVSA-N 1 0 388.487 2.992 50 0 GFAARO COc1ccccc1N1CC[NH+](CCCC[C@@H]2Oc3cccnc3NC2=O)CC1 ZINC000063117802 136156340 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Cc1nc(C(C)C)cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000091518863 136176464 /nfs/dbraw/zinc/17/64/64/136176464.db2.gz KTRQEVZUUCPYOO-QFIPXVFZSA-N 1 0 385.556 2.822 50 0 GFAARO Cc1cnc(C)c(N2CCN(C(=O)c3cccc([C@@H]4CCC[NH2+]C4)c3)CC2)n1 ZINC000095354718 136177846 /nfs/dbraw/zinc/17/78/46/136177846.db2.gz FSWYDCBJYGVJCX-HXUWFJFHSA-N 1 0 379.508 2.523 50 0 GFAARO CCc1noc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000095372421 136178460 /nfs/dbraw/zinc/17/84/60/136178460.db2.gz SEZHWQWVOXBOPJ-IBGZPJMESA-N 1 0 397.523 2.816 50 0 GFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(N3CCOCC3)ccc1Cl)C2 ZINC000095500075 136179983 /nfs/dbraw/zinc/17/99/83/136179983.db2.gz KVDWSCCYMIWLOX-GOEBONIOSA-N 1 0 378.904 2.877 50 0 GFAARO O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000096496966 136187338 /nfs/dbraw/zinc/18/73/38/136187338.db2.gz BHCAYWNRGCOWLO-QFIPXVFZSA-N 1 0 379.504 2.918 50 0 GFAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)NC[C@H](O)c1cccc(O)c1 ZINC000426407483 534324197 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COCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000096153285 570215619 /nfs/dbraw/zinc/21/56/19/570215619.db2.gz KGKCIVHDFDWQKB-UHFFFAOYSA-N 1 0 382.892 2.922 50 0 GFAARO Cc1cc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1C ZINC000019839861 570224306 /nfs/dbraw/zinc/22/43/06/570224306.db2.gz VEDXCILHEKOBJQ-UHFFFAOYSA-N 1 0 395.551 2.720 50 0 GFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCCc3ccccc3)C2=O)cc1 ZINC000020168817 570245416 /nfs/dbraw/zinc/24/54/16/570245416.db2.gz YDKMMPLCMDWKOP-LJQANCHMSA-N 1 0 380.444 2.718 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1COc2ccccc2C1 ZINC000015786149 570252739 /nfs/dbraw/zinc/25/27/39/570252739.db2.gz PTFZRVIGYPJTBC-HXUWFJFHSA-N 1 0 379.504 2.566 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)cc1C ZINC000106697548 570261033 /nfs/dbraw/zinc/26/10/33/570261033.db2.gz RMEGKWZPDHWEEL-LJQANCHMSA-N 1 0 396.491 2.609 50 0 GFAARO COC(=O)c1sc2[nH]c(CSC3=[NH+][C@H]4CCCC[C@@H]4N3)nc(=O)c2c1C ZINC000012851196 570266313 /nfs/dbraw/zinc/26/63/13/570266313.db2.gz PWLSPFCZMXYGAF-UWVGGRQHSA-N 1 0 392.506 2.583 50 0 GFAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000020541035 570266689 /nfs/dbraw/zinc/26/66/89/570266689.db2.gz CVTGOJIZUOJODF-IBGZPJMESA-N 1 0 382.508 2.743 50 0 GFAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncnc(NCc3cccnc3)c12 ZINC000020573290 570268574 /nfs/dbraw/zinc/26/85/74/570268574.db2.gz ZJRRZRKMDRJDHL-UHFFFAOYSA-N 1 0 380.496 2.778 50 0 GFAARO CCCCCC(=O)NCCCN1CC[NH+](CCCNC(=O)CCCCC)CC1 ZINC000020582276 570268832 /nfs/dbraw/zinc/26/88/32/570268832.db2.gz NVUPBBIIVSMRIE-UHFFFAOYSA-N 1 0 396.620 2.777 50 0 GFAARO O=C(c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1)N1CCOCC1 ZINC000034668710 570293183 /nfs/dbraw/zinc/29/31/83/570293183.db2.gz ZWVOXXVLFUATOB-UHFFFAOYSA-N 1 0 383.467 2.620 50 0 GFAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2=O)cc1 ZINC000247879399 570333351 /nfs/dbraw/zinc/33/33/51/570333351.db2.gz QIGIEXWXJLPUPS-TZIWHRDSSA-N 1 0 385.552 2.767 50 0 GFAARO 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GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCOC3)CC2)CC1 ZINC000011879972 204360724 /nfs/dbraw/zinc/36/07/24/204360724.db2.gz RDWZIEQZTIOTSX-QHCPKHFHSA-N 1 0 399.579 2.919 50 0 GFAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c(OC)c1 ZINC000011933162 204363017 /nfs/dbraw/zinc/36/30/17/204363017.db2.gz BGVVZZBQGASZRG-MRXNPFEDSA-N 1 0 386.496 2.736 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]Cc1ccc(F)cc1 ZINC000011997175 204365828 /nfs/dbraw/zinc/36/58/28/204365828.db2.gz RVUKRQQPDLFDOG-FQEVSTJZSA-N 1 0 378.394 2.747 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1 ZINC000012027800 204367933 /nfs/dbraw/zinc/36/79/33/204367933.db2.gz KYELNGSKJIEBPL-SFHVURJKSA-N 1 0 395.547 2.700 50 0 GFAARO O=C(COc1ccccc1)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000012041859 204368363 /nfs/dbraw/zinc/36/83/63/204368363.db2.gz JULQILOLZHJWRJ-NRFANRHFSA-N 1 0 395.503 2.790 50 0 GFAARO C[C@H](CC[N@H+](C)CCn1cc(C(=O)NCc2ccncc2)nn1)c1ccccc1 ZINC000012243402 204386016 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COc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc(Cl)c1OC ZINC000030900377 204899187 /nfs/dbraw/zinc/89/91/87/204899187.db2.gz DEVIHOGJYOHKQL-UHFFFAOYSA-N 1 0 377.872 2.879 50 0 GFAARO COc1cccc(C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)c1 ZINC000036100274 205005224 /nfs/dbraw/zinc/00/52/24/205005224.db2.gz PQMLOKJYCGFBNC-AZUAARDMSA-N 1 0 375.465 2.847 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095669 205006170 /nfs/dbraw/zinc/00/61/70/205006170.db2.gz PHXBSCMOIKCMJR-FQEVSTJZSA-N 1 0 389.492 2.730 50 0 GFAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2C)c1 ZINC000036098605 205006310 /nfs/dbraw/zinc/00/63/10/205006310.db2.gz HCGTWLCPZSGKHC-HSZRJFAPSA-N 1 0 398.547 2.878 50 0 GFAARO Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](C)C2)C3)n1 ZINC000039393908 205043330 /nfs/dbraw/zinc/04/33/30/205043330.db2.gz AKYRJSNWLNNYOH-QZTJIDSGSA-N 1 0 380.492 2.522 50 0 GFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000040089821 205050989 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GFAARO COc1cc2c(cc1C[NH2+]Cc1cn(CCC(N)=O)c3ccccc13)OCCO2 ZINC000055042263 205141941 /nfs/dbraw/zinc/14/19/41/205141941.db2.gz DSIJNPATRBKXKG-UHFFFAOYSA-N 1 0 395.459 2.586 50 0 GFAARO CN(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)s1 ZINC000055199070 205146010 /nfs/dbraw/zinc/14/60/10/205146010.db2.gz BBCNFJABOYCINO-OAHLLOKOSA-N 1 0 378.929 2.796 50 0 GFAARO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2cc1C ZINC000051086214 205131359 /nfs/dbraw/zinc/13/13/59/205131359.db2.gz GFSRYRKEFXKCRO-NRFANRHFSA-N 1 0 378.520 2.832 50 0 GFAARO CC(C)Cc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000058069270 205162440 /nfs/dbraw/zinc/16/24/40/205162440.db2.gz GBFIFHNBGBWTHU-CTNGQTDRSA-N 1 0 394.581 2.817 50 0 GFAARO CC(C)C(=O)Nc1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000058203468 205169263 /nfs/dbraw/zinc/16/92/63/205169263.db2.gz FWILWUBJOPDADA-IBGZPJMESA-N 1 0 390.528 2.533 50 0 GFAARO CC(C)(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1F ZINC000058245763 205170564 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C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)no1 ZINC000067675803 205253780 /nfs/dbraw/zinc/25/37/80/205253780.db2.gz IMIZNICXKZGDTL-LJQANCHMSA-N 1 0 382.508 2.659 50 0 GFAARO COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2[nH]cnc2C)C3)c1 ZINC000067688597 205255384 /nfs/dbraw/zinc/25/53/84/205255384.db2.gz NEYGYECPJCHAPN-JOCHJYFZSA-N 1 0 398.507 2.864 50 0 GFAARO O=c1cc(-c2cccnc2)nc(-c2cccc(C[NH+]3CCC(CO)CC3)c2)[nH]1 ZINC000067713423 205257133 /nfs/dbraw/zinc/25/71/33/205257133.db2.gz GJAWHUFYPUZKSH-UHFFFAOYSA-N 1 0 376.460 2.703 50 0 GFAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(CN3CCc4ccccc4C3)on2)C1 ZINC000067695114 205257285 /nfs/dbraw/zinc/25/72/85/205257285.db2.gz ICHPXAIXIACACH-IBGZPJMESA-N 1 0 382.508 2.789 50 0 GFAARO Cc1c(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cnn1C ZINC000067804703 205261106 /nfs/dbraw/zinc/26/11/06/205261106.db2.gz YGNYRSBNSJFUCL-QHCPKHFHSA-N 1 0 398.551 2.837 50 0 GFAARO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)C1 ZINC000067856834 205263572 /nfs/dbraw/zinc/26/35/72/205263572.db2.gz BAVLIQZJEXNGRV-HNNXBMFYSA-N 1 0 383.448 2.685 50 0 GFAARO CCC[C@H]([NH2+]C)C(=O)N1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067955118 205268793 /nfs/dbraw/zinc/26/87/93/205268793.db2.gz MOLGTRWIYQODPH-KRWDZBQOSA-N 1 0 384.480 2.575 50 0 GFAARO CN(Cc1ccccc1Cl)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071388617 205283319 /nfs/dbraw/zinc/28/33/19/205283319.db2.gz PCDJAMMWEXCJPT-CYBMUJFWSA-N 1 0 394.928 2.637 50 0 GFAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)sc1C ZINC000071614466 205285369 /nfs/dbraw/zinc/28/53/69/205285369.db2.gz RLKGGBMYFICRAE-INIZCTEOSA-N 1 0 376.570 2.715 50 0 GFAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000071747791 205288975 /nfs/dbraw/zinc/28/89/75/205288975.db2.gz JKEJCBSJPXSZKK-HXUWFJFHSA-N 1 0 381.520 2.642 50 0 GFAARO CC(C)[C@H]1CN(C(=O)c2cccn(C)c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071749332 205289994 /nfs/dbraw/zinc/28/99/94/205289994.db2.gz OKMQQYQCXOKCQN-HXUWFJFHSA-N 1 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CC(C)[NH+]1CCC(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 ZINC000170120586 205849074 /nfs/dbraw/zinc/84/90/74/205849074.db2.gz XZRRTMSHZRQGLG-CQSZACIVSA-N 1 0 381.517 2.875 50 0 GFAARO Cc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000225543069 206055876 /nfs/dbraw/zinc/05/58/76/206055876.db2.gz GUUGYZRORKWIFR-INIZCTEOSA-N 1 0 388.430 2.866 50 0 GFAARO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000225671709 206066009 /nfs/dbraw/zinc/06/60/09/206066009.db2.gz NISVOVOKWOGNAV-LSDHHAIUSA-N 1 0 381.325 2.822 50 0 GFAARO COCCOc1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000225686030 206066953 /nfs/dbraw/zinc/06/69/53/206066953.db2.gz CXPNXRCEMFERLO-NRFANRHFSA-N 1 0 380.488 2.985 50 0 GFAARO CC(=O)c1cccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000032976363 206098135 /nfs/dbraw/zinc/09/81/35/206098135.db2.gz YAFVJYKYUXQZJJ-UHFFFAOYSA-N 1 0 381.476 2.967 50 0 GFAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000229590987 206108002 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50 0 GFAARO Cc1nonc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000089556409 136175610 /nfs/dbraw/zinc/17/56/10/136175610.db2.gz UJXNKOYVVJBZHV-UHFFFAOYSA-N 1 0 377.448 2.953 50 0 GFAARO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)nc2cc(F)ccc12 ZINC000091350681 136176296 /nfs/dbraw/zinc/17/62/96/136176296.db2.gz VJZBYGAMEOFXLM-UTKZUKDTSA-N 1 0 387.499 2.982 50 0 GFAARO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121056 136183893 /nfs/dbraw/zinc/18/38/93/136183893.db2.gz HQFCOBPNAQBVNZ-UHFFFAOYSA-N 1 0 385.899 2.622 50 0 GFAARO O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101407716 136189815 /nfs/dbraw/zinc/18/98/15/136189815.db2.gz ODMGFCASISCKCA-UHFFFAOYSA-N 1 0 383.492 2.654 50 0 GFAARO Cc1cc(C)n(Cc2ccc(N3CCC(CO)(C[NH+]4CCCC4)CC3)nc2)n1 ZINC000220328931 136204680 /nfs/dbraw/zinc/20/46/80/136204680.db2.gz NBYZORRIPCDYDX-UHFFFAOYSA-N 1 0 383.540 2.618 50 0 GFAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000001129307 551091692 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C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000237356216 553077247 /nfs/dbraw/zinc/07/72/47/553077247.db2.gz RFWCWGRKPGBPDG-UHFFFAOYSA-N 1 0 381.723 2.723 50 0 GFAARO C[C@H]([NH2+]C1(CNc2cc(Br)cnn2)CCOCC1)c1ccccc1 ZINC000585098402 565103727 /nfs/dbraw/zinc/10/37/27/565103727.db2.gz RUMZWDOWNLKBOX-AWEZNQCLSA-N 1 0 391.313 2.973 50 0 GFAARO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)sc1Cl ZINC000652383470 565927648 /nfs/dbraw/zinc/92/76/48/565927648.db2.gz VTNSEJPOGMDSES-YNEHKIRRSA-N 1 0 378.947 2.759 50 0 GFAARO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653082119 565954101 /nfs/dbraw/zinc/95/41/01/565954101.db2.gz JTLYGFCHHMRYRO-LSDHHAIUSA-N 1 0 390.285 2.558 50 0 GFAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccno1 ZINC000096151344 570215354 /nfs/dbraw/zinc/21/53/54/570215354.db2.gz VSBGEZXKBWKDPF-UHFFFAOYSA-N 1 0 375.444 2.815 50 0 GFAARO C[NH+](C)CCCN1CN=C2N[C@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101273 570239267 /nfs/dbraw/zinc/23/92/67/570239267.db2.gz IABDOQOBOHHPEU-FQEVSTJZSA-N 1 0 389.507 2.531 50 0 GFAARO CCOC(=O)CN1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[C@H](CO)C1 ZINC000097301460 570240888 /nfs/dbraw/zinc/24/08/88/570240888.db2.gz OGEFSQGRZRGVNX-KRWDZBQOSA-N 1 0 380.554 2.516 50 0 GFAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020263154 570250602 /nfs/dbraw/zinc/25/06/02/570250602.db2.gz HCVYXPXPOUKNBC-VXGBXAGGSA-N 1 0 377.416 2.531 50 0 GFAARO Cc1ccc(CN2CC[N@@H+](C3CCN(Cc4ccccn4)CC3)C[C@@H]2CCO)o1 ZINC000020449958 570256402 /nfs/dbraw/zinc/25/64/02/570256402.db2.gz WQFONRGAXXMATJ-QFIPXVFZSA-N 1 0 398.551 2.516 50 0 GFAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc[n+]([O-])c2)Cc2ccccc2C1 ZINC000020454355 570258272 /nfs/dbraw/zinc/25/82/72/570258272.db2.gz MBAQGFVYWXXUTP-UHFFFAOYSA-N 1 0 387.483 2.719 50 0 GFAARO COc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)c(F)c1 ZINC000104461625 570258476 /nfs/dbraw/zinc/25/84/76/570258476.db2.gz KKOPHZJLGWKCJF-QGZVFWFLSA-N 1 0 398.482 2.779 50 0 GFAARO Cn1c(CCN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000020503967 570264751 /nfs/dbraw/zinc/26/47/51/570264751.db2.gz AGCGIILADZHBLQ-UHFFFAOYSA-N 1 0 395.482 2.755 50 0 GFAARO Cc1sc2ncn(CCC(=O)NCc3ccccc3C[NH+](C)C)c(=O)c2c1C ZINC000012848564 570265618 /nfs/dbraw/zinc/26/56/18/570265618.db2.gz VOHCLQKJKFSLAD-UHFFFAOYSA-N 1 0 398.532 2.843 50 0 GFAARO Cc1cccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)n1 ZINC000020539611 570266646 /nfs/dbraw/zinc/26/66/46/570266646.db2.gz ZXIUAOQLCBGGPM-QHCPKHFHSA-N 1 0 391.519 2.645 50 0 GFAARO O=C(C1=CCCC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600962 570269989 /nfs/dbraw/zinc/26/99/89/570269989.db2.gz RGTNSUSSUQCWMH-HXUWFJFHSA-N 1 0 397.519 2.634 50 0 GFAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2)c1cccc(F)c1 ZINC000020779721 570280065 /nfs/dbraw/zinc/28/00/65/570280065.db2.gz GFNAXDQSRBVZOP-UHFFFAOYSA-N 1 0 397.429 2.545 50 0 GFAARO C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709676 570302506 /nfs/dbraw/zinc/30/25/06/570302506.db2.gz JNFBJAWOTLDUSZ-WOJBJXKFSA-N 1 0 397.494 2.749 50 0 GFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022237581 570309541 /nfs/dbraw/zinc/30/95/41/570309541.db2.gz KRGSJNCAIYCMSA-UHFFFAOYSA-N 1 0 395.507 2.877 50 0 GFAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000023359955 570322103 /nfs/dbraw/zinc/32/21/03/570322103.db2.gz KWZDLRXIDLBZMH-KRWDZBQOSA-N 1 0 379.476 2.573 50 0 GFAARO COc1ccc(OC)c(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000023043120 570341738 /nfs/dbraw/zinc/34/17/38/570341738.db2.gz PPXOBKMRMARIGW-UHFFFAOYSA-N 1 0 383.492 2.850 50 0 GFAARO COc1ccc(C[NH2+]CC2=NO[C@H](Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000035327609 570341968 /nfs/dbraw/zinc/34/19/68/570341968.db2.gz CVFBJRSNXBLNBR-GOSISDBHSA-N 1 0 384.432 2.910 50 0 GFAARO CC(C)CNC(=O)C1CC[NH+](C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000034911962 570342252 /nfs/dbraw/zinc/34/22/52/570342252.db2.gz XNFFZRLMXMFXIC-UHFFFAOYSA-N 1 0 377.554 2.837 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000575619464 570368079 /nfs/dbraw/zinc/36/80/79/570368079.db2.gz FPHXDMGDMQFAEO-KRWDZBQOSA-N 1 0 383.423 2.607 50 0 GFAARO Cn1c2ccccc2n(CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1=O ZINC000023742202 570371264 /nfs/dbraw/zinc/37/12/64/570371264.db2.gz WZHOLZAYFNTFNS-NRFANRHFSA-N 1 0 392.503 2.683 50 0 GFAARO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)s1 ZINC000024294066 570381928 /nfs/dbraw/zinc/38/19/28/570381928.db2.gz RQBLFQSEQQQVHY-UHFFFAOYSA-N 1 0 383.517 2.699 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1cccs1 ZINC000024574734 570386184 /nfs/dbraw/zinc/38/61/84/570386184.db2.gz ZZNDMDGYSBFSCW-IAGOWNOFSA-N 1 0 384.505 2.702 50 0 GFAARO CC[N@H+](CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O)Cc1ccccc1 ZINC000005069547 570410834 /nfs/dbraw/zinc/41/08/34/570410834.db2.gz PTXLRQWZZRLFHG-FQEVSTJZSA-N 1 0 381.476 2.805 50 0 GFAARO CC[N@H+](CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O)Cc1ccccc1 ZINC000005069544 570410947 /nfs/dbraw/zinc/41/09/47/570410947.db2.gz PTXLRQWZZRLFHG-HXUWFJFHSA-N 1 0 381.476 2.805 50 0 GFAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000025721210 570418528 /nfs/dbraw/zinc/41/85/28/570418528.db2.gz NAOFEPNTXGKARV-XXBNENTESA-N 1 0 382.504 2.969 50 0 GFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccnc2)CC1 ZINC000242346954 570432778 /nfs/dbraw/zinc/43/27/78/570432778.db2.gz ZKOWLIRKPCQQET-UIFIKXQLSA-N 1 0 398.551 2.798 50 0 GFAARO COC(=O)NCC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000072277469 570462520 /nfs/dbraw/zinc/46/25/20/570462520.db2.gz HZVBPYNZIXERNG-UHFFFAOYSA-N 1 0 383.492 2.912 50 0 GFAARO Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035876466 570469312 /nfs/dbraw/zinc/46/93/12/570469312.db2.gz MOFSTHQFOMTBDF-OAQYLSRUSA-N 1 0 377.488 2.887 50 0 GFAARO CC[N@H+](CCn1cccn1)Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000011936539 570594188 /nfs/dbraw/zinc/59/41/88/570594188.db2.gz HVQVOQNXBVQEJZ-UHFFFAOYSA-N 1 0 385.468 2.821 50 0 GFAARO C[NH+]1CCC(OC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000033005405 570618851 /nfs/dbraw/zinc/61/88/51/570618851.db2.gz RBLDOUHMFLWVNF-UHFFFAOYSA-N 1 0 380.444 2.853 50 0 GFAARO Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@H+](CCc4ccccc4)C3)cc2n1 ZINC000012713291 570703243 /nfs/dbraw/zinc/70/32/43/570703243.db2.gz YTVQVDUDKKSDHK-LJQANCHMSA-N 1 0 377.492 2.783 50 0 GFAARO CCOC(=O)C1=C(CNCc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000085993818 570715011 /nfs/dbraw/zinc/71/50/11/570715011.db2.gz GLXVRMAMWCFQBY-FQEVSTJZSA-N 1 0 395.459 2.656 50 0 GFAARO COc1cccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)[NH+](C)C)c1 ZINC000017794865 570715347 /nfs/dbraw/zinc/71/53/47/570715347.db2.gz NOXZIGJDQZNBPM-KRWDZBQOSA-N 1 0 385.489 2.772 50 0 GFAARO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012836606 570723404 /nfs/dbraw/zinc/72/34/04/570723404.db2.gz QJXZZCDSDAOTFK-SFHVURJKSA-N 1 0 387.499 2.555 50 0 GFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCn1cccn1 ZINC000524730681 570765208 /nfs/dbraw/zinc/76/52/08/570765208.db2.gz SMIVRFQMPQEAJZ-WOJBJXKFSA-N 1 0 376.545 2.793 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583648150 570804009 /nfs/dbraw/zinc/80/40/09/570804009.db2.gz KGSLGCYRLICMDI-ICSRJNTNSA-N 1 0 399.539 2.564 50 0 GFAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000014235901 570834351 /nfs/dbraw/zinc/83/43/51/570834351.db2.gz BEABJIHQXNABRM-UHFFFAOYSA-N 1 0 381.542 2.966 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1cccnc1)C2 ZINC000014532178 570847698 /nfs/dbraw/zinc/84/76/98/570847698.db2.gz LEUYRZYXOPAVGI-LJQANCHMSA-N 1 0 395.551 2.860 50 0 GFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CCOC(C)C)CC2 ZINC000014531969 570847741 /nfs/dbraw/zinc/84/77/41/570847741.db2.gz SZZQGHBYIXFYJR-QGZVFWFLSA-N 1 0 376.545 2.695 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]CCOC(C)C)C2 ZINC000014731448 570857394 /nfs/dbraw/zinc/85/73/94/570857394.db2.gz CUZMNPONZODXDN-MRXNPFEDSA-N 1 0 388.512 2.640 50 0 GFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014740347 570857826 /nfs/dbraw/zinc/85/78/26/570857826.db2.gz IDSGQXWDHMHNLW-KRWDZBQOSA-N 1 0 393.466 2.531 50 0 GFAARO C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014733339 570858026 /nfs/dbraw/zinc/85/80/26/570858026.db2.gz COAKBFSGNYPNAR-UHFFFAOYSA-N 1 0 378.476 2.553 50 0 GFAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1N1CCOCC1 ZINC000014988490 570870277 /nfs/dbraw/zinc/87/02/77/570870277.db2.gz KEJIIVRISYNOHN-AZUAARDMSA-N 1 0 392.565 2.884 50 0 GFAARO COCCSc1nnc(C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1C ZINC000014992009 570870442 /nfs/dbraw/zinc/87/04/42/570870442.db2.gz MXNWVNABYZHZHN-UHFFFAOYSA-N 1 0 390.509 2.662 50 0 GFAARO COCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c32)C1 ZINC000015072352 570877848 /nfs/dbraw/zinc/87/78/48/570877848.db2.gz CZAHFHXLJGLBAL-INIZCTEOSA-N 1 0 383.517 2.908 50 0 GFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)C1=Cc2ccccc2OC1 ZINC000022938029 570883356 /nfs/dbraw/zinc/88/33/56/570883356.db2.gz AKBBPZIEMGZYTR-UHFFFAOYSA-N 1 0 383.536 2.919 50 0 GFAARO COCCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000534588934 570905547 /nfs/dbraw/zinc/90/55/47/570905547.db2.gz CGVAPXDZZGCIPN-OAHLLOKOSA-N 1 0 376.476 2.807 50 0 GFAARO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000089694665 570909710 /nfs/dbraw/zinc/90/97/10/570909710.db2.gz ZYDQFAMHGFZFBN-GOSISDBHSA-N 1 0 384.524 2.929 50 0 GFAARO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127702 570913039 /nfs/dbraw/zinc/91/30/39/570913039.db2.gz MUSHKOGOERZWSK-UHFFFAOYSA-N 1 0 392.521 2.662 50 0 GFAARO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1CCC(c2nnc[nH]2)CC1 ZINC000534669087 570920257 /nfs/dbraw/zinc/92/02/57/570920257.db2.gz DKKQCFFGMPLZQD-SFHVURJKSA-N 1 0 386.475 2.670 50 0 GFAARO COc1ccccc1CN(C)C(=O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952369 570921175 /nfs/dbraw/zinc/92/11/75/570921175.db2.gz NJCXSYULYIWQIH-QZTJIDSGSA-N 1 0 378.538 2.640 50 0 GFAARO Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)nnn1C1CC[NH2+]CC1 ZINC000237740885 570944819 /nfs/dbraw/zinc/94/48/19/570944819.db2.gz LZJUGJNCVAOSGW-OAHLLOKOSA-N 1 0 394.479 2.672 50 0 GFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)C1 ZINC000032931452 570945185 /nfs/dbraw/zinc/94/51/85/570945185.db2.gz HQXIQWLZENMHOI-KRWDZBQOSA-N 1 0 390.487 2.847 50 0 GFAARO c1ccc(CCc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000019340590 570977287 /nfs/dbraw/zinc/97/72/87/570977287.db2.gz CRWOUKCXLHLVHK-UHFFFAOYSA-N 1 0 376.460 2.850 50 0 GFAARO CC[NH+]1CCN([C@@H](C)C(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)CC1 ZINC000019372526 570981169 /nfs/dbraw/zinc/98/11/69/570981169.db2.gz DLAFSYGNSLPNAV-LBPRGKRZSA-N 1 0 392.887 2.572 50 0 GFAARO COCCOc1ccc([C@@H](C)[N@H+](C)C[C@H](O)COCCOC(C)C)cc1OC ZINC000108480564 570989462 /nfs/dbraw/zinc/98/94/62/570989462.db2.gz ZBGIHTDKKDFJDV-MJGOQNOKSA-N 1 0 399.528 2.516 50 0 GFAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1ncc(C)c(OC)c1C)CC2 ZINC000091321528 571003291 /nfs/dbraw/zinc/00/32/91/571003291.db2.gz VKKFLUMAOTUJTO-UHFFFAOYSA-N 1 0 375.513 2.558 50 0 GFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnc[nH]c3=O)CC2)C1 ZINC000091351065 571004003 /nfs/dbraw/zinc/00/40/03/571004003.db2.gz IHFANAJBLSPIAA-SFHVURJKSA-N 1 0 380.492 2.502 50 0 GFAARO C[NH+](C)CCNC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080040 571021999 /nfs/dbraw/zinc/02/19/99/571021999.db2.gz CQJGCXLPESOLBY-UHFFFAOYSA-N 1 0 380.492 2.810 50 0 GFAARO NS(=O)(=O)c1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000012775818 571029083 /nfs/dbraw/zinc/02/90/83/571029083.db2.gz HDMIHOZNZLHSDC-UHFFFAOYSA-N 1 0 394.541 2.644 50 0 GFAARO CCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](CC)C2 ZINC000091964529 571038093 /nfs/dbraw/zinc/03/80/93/571038093.db2.gz FBSYFLOJXYAAHA-IBGZPJMESA-N 1 0 379.570 2.775 50 0 GFAARO Cc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000092078285 571044279 /nfs/dbraw/zinc/04/42/79/571044279.db2.gz RRLUHEKMDDZQQJ-UXHICEINSA-N 1 0 379.504 2.827 50 0 GFAARO CCc1ccccc1OCC[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095358465 571053647 /nfs/dbraw/zinc/05/36/47/571053647.db2.gz ZXZYDQNNOGAMRF-NFBKMPQASA-N 1 0 386.536 2.713 50 0 GFAARO Cc1nc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095359083 571054270 /nfs/dbraw/zinc/05/42/70/571054270.db2.gz SULWGIPWLVIIDD-CWFSZBLJSA-N 1 0 397.500 2.883 50 0 GFAARO Cc1nc2cc(CC(=O)N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)ccc2[nH]1 ZINC000095376090 571064549 /nfs/dbraw/zinc/06/45/49/571064549.db2.gz OVSIKSIUHYVFQS-GOSISDBHSA-N 1 0 394.523 2.578 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c1 ZINC000095378638 571066064 /nfs/dbraw/zinc/06/60/64/571066064.db2.gz RRLTZVAAZRBJJF-OAHLLOKOSA-N 1 0 384.459 2.587 50 0 GFAARO Cc1noc2nc(C)cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C3CCOCC3)C4)c12 ZINC000095380633 571067195 /nfs/dbraw/zinc/06/71/95/571067195.db2.gz IUAFHHZVKVLNEX-DOTOQJQBSA-N 1 0 384.480 2.555 50 0 GFAARO CCOc1cc(C[NH+]2CCC3(CC(=O)N(CCCOC)C3)CC2)ccc1O ZINC000095390812 571072617 /nfs/dbraw/zinc/07/26/17/571072617.db2.gz KBOPOQCOOBYDQX-UHFFFAOYSA-N 1 0 376.497 2.642 50 0 GFAARO CCCCn1ccnc1C1CCN(C(=O)C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000095499608 571075765 /nfs/dbraw/zinc/07/57/65/571075765.db2.gz AHVABQXDCMJIGM-LJQANCHMSA-N 1 0 376.545 2.889 50 0 GFAARO CSCc1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)o1 ZINC000095500125 571075861 /nfs/dbraw/zinc/07/58/61/571075861.db2.gz WHKZNQHFUYPPNK-HNNXBMFYSA-N 1 0 376.526 2.921 50 0 GFAARO COc1cc(C(=O)N2CCOC3(CCCC3)C2)ccc1OC1CC[NH+](C)CC1 ZINC000095506859 571079279 /nfs/dbraw/zinc/07/92/79/571079279.db2.gz POHIKOYGBIKNJH-UHFFFAOYSA-N 1 0 388.508 2.953 50 0 GFAARO CCOCc1nc([C@@H]2CC(=O)OC23CCCCC3)n(C2CC[NH+](C)CC2)n1 ZINC000095509733 571081072 /nfs/dbraw/zinc/08/10/72/571081072.db2.gz GVPDCPNRSFGADA-INIZCTEOSA-N 1 0 376.501 2.815 50 0 GFAARO NC(=O)c1ncc(Br)cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000096011486 655030299 /nfs/dbraw/zinc/03/02/99/655030299.db2.gz CWGPXQOMEJHNBE-UHFFFAOYSA-N 1 0 389.297 2.655 50 0 GFAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1nc(-c2ccccc2)cs1 ZINC000426430571 231220558 /nfs/dbraw/zinc/22/05/58/231220558.db2.gz BNDZKKUNPXEHPS-MRXNPFEDSA-N 1 0 381.505 2.790 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414170 231203732 /nfs/dbraw/zinc/20/37/32/231203732.db2.gz OFLAYJUMVBZROV-XLIONFOSSA-N 1 0 376.545 2.961 50 0 GFAARO Cc1ccc(N2CC[C@H](CNC(=O)C3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000426379599 231209744 /nfs/dbraw/zinc/20/97/44/231209744.db2.gz BPWVKCUTUNKZIG-LJQANCHMSA-N 1 0 385.552 2.829 50 0 GFAARO C[NH+](C)CCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000003378624 204003447 /nfs/dbraw/zinc/00/34/47/204003447.db2.gz OCBCIUJQZGVOSD-UHFFFAOYSA-N 1 0 395.912 2.822 50 0 GFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000003553101 204012576 /nfs/dbraw/zinc/01/25/76/204012576.db2.gz IGOVRSREVDROMJ-IBGZPJMESA-N 1 0 387.867 2.870 50 0 GFAARO [NH3+]CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC000003816551 204020050 /nfs/dbraw/zinc/02/00/50/204020050.db2.gz RYBOXBBYCVOYNO-UHFFFAOYSA-N 1 0 380.882 2.742 50 0 in-vitro GFAARO COc1cc([C@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC000004181116 204031025 /nfs/dbraw/zinc/03/10/25/204031025.db2.gz WXUKFOWEGZUIDZ-LJQANCHMSA-N 1 0 380.510 2.772 50 0 GFAARO C[NH+](C)CCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004813717 204078006 /nfs/dbraw/zinc/07/80/06/204078006.db2.gz ZUYJYEAJOWLGLU-UHFFFAOYSA-N 1 0 390.553 2.617 50 0 GFAARO COc1cc(OC)cc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)c1 ZINC000004891391 204087197 /nfs/dbraw/zinc/08/71/97/204087197.db2.gz VSQIRNVPMUXLOS-GOSISDBHSA-N 1 0 388.851 2.821 50 0 GFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000004679147 204063415 /nfs/dbraw/zinc/06/34/15/204063415.db2.gz JZYXCOZMMBSEMN-INIZCTEOSA-N 1 0 388.851 2.821 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806347 204209616 /nfs/dbraw/zinc/20/96/16/204209616.db2.gz AVGXYLARDHCNAV-UHFFFAOYSA-N 1 0 388.537 2.739 50 0 GFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524739 204242529 /nfs/dbraw/zinc/24/25/29/204242529.db2.gz RGFOOHUYSKAMJH-UHFFFAOYSA-N 1 0 396.234 2.738 50 0 GFAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCC[NH+](C)C)c1 ZINC000008036797 204258885 /nfs/dbraw/zinc/25/88/85/204258885.db2.gz MDBPKUUPGOLFGQ-UHFFFAOYSA-N 1 0 394.475 2.848 50 0 GFAARO C[NH+](C)CCCNC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000009487333 204312872 /nfs/dbraw/zinc/31/28/72/204312872.db2.gz GHTBKGBUWNCXNY-UHFFFAOYSA-N 1 0 392.883 2.772 50 0 GFAARO CCOc1ccc(C[NH2+]CCCSc2nnnn2C)cc1Br ZINC000010475440 204336472 /nfs/dbraw/zinc/33/64/72/204336472.db2.gz XJTCLKDQXDOEDM-UHFFFAOYSA-N 1 0 386.319 2.643 50 0 GFAARO C[N@@H+]1CCCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)CC1 ZINC000011663717 204348887 /nfs/dbraw/zinc/34/88/87/204348887.db2.gz ASDCPFAZMIOJRG-UHFFFAOYSA-N 1 0 382.386 2.785 50 0 GFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)C1 ZINC000012164493 204378105 /nfs/dbraw/zinc/37/81/05/204378105.db2.gz AKNLRIASOSMWIQ-MRXNPFEDSA-N 1 0 394.479 2.787 50 0 GFAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000012020583 204367301 /nfs/dbraw/zinc/36/73/01/204367301.db2.gz MJZNPHGLDSSYIC-CQSZACIVSA-N 1 0 383.427 2.560 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C1CCOCC1 ZINC000012300285 204391409 /nfs/dbraw/zinc/39/14/09/204391409.db2.gz QMDCIHPRUXBOKU-UHFFFAOYSA-N 1 0 378.476 2.875 50 0 GFAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014752418 204541154 /nfs/dbraw/zinc/54/11/54/204541154.db2.gz OPCVAXRBGFBMGB-UHFFFAOYSA-N 1 0 387.524 2.978 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000023416679 204808249 /nfs/dbraw/zinc/80/82/49/204808249.db2.gz AAHRECQSGZSZOQ-UHFFFAOYSA-N 1 0 390.487 2.992 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036095671 205006048 /nfs/dbraw/zinc/00/60/48/205006048.db2.gz PHXBSCMOIKCMJR-HXUWFJFHSA-N 1 0 389.492 2.730 50 0 GFAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCc1ccccc1 ZINC000036095031 205006210 /nfs/dbraw/zinc/00/62/10/205006210.db2.gz MTVZOILCBXWJIQ-HXUWFJFHSA-N 1 0 389.492 2.730 50 0 GFAARO O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000040062720 205048359 /nfs/dbraw/zinc/04/83/59/205048359.db2.gz CTFVMPFARLQMKD-NRFANRHFSA-N 1 0 393.487 2.903 50 0 GFAARO CCOc1cc(C[NH2+]CCOCCO)cc(Br)c1OC(C)C ZINC000040729110 205070099 /nfs/dbraw/zinc/07/00/99/205070099.db2.gz SEUGRDRTQBMLQB-UHFFFAOYSA-N 1 0 376.291 2.734 50 0 GFAARO COc1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039461444 205042543 /nfs/dbraw/zinc/04/25/43/205042543.db2.gz YKIVTSZVDXGOOG-LJQANCHMSA-N 1 0 390.524 2.873 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2Br)no1 ZINC000299738424 205091560 /nfs/dbraw/zinc/09/15/60/205091560.db2.gz ARGXFHMQKKOZEG-CQSZACIVSA-N 1 0 394.269 2.888 50 0 GFAARO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000045966714 205100298 /nfs/dbraw/zinc/10/02/98/205100298.db2.gz SCYMWDUVIQMVEJ-UHFFFAOYSA-N 1 0 397.494 2.907 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)c1ccccc1F)c1ccco1 ZINC000055386914 205149317 /nfs/dbraw/zinc/14/93/17/205149317.db2.gz FUGHVCPOOQBEAT-KRWDZBQOSA-N 1 0 375.444 2.738 50 0 GFAARO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000056071088 205150912 /nfs/dbraw/zinc/15/09/12/205150912.db2.gz WIRGJEKONRTTCM-ROUUACIJSA-N 1 0 379.570 2.772 50 0 GFAARO CCC(CC)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C)c1)[NH+]1CCCC1 ZINC000058161466 205165579 /nfs/dbraw/zinc/16/55/79/205165579.db2.gz JYTKENMFKCBTNZ-GOSISDBHSA-N 1 0 385.516 2.899 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)c1ccco1 ZINC000058279108 205171216 /nfs/dbraw/zinc/17/12/16/205171216.db2.gz XQLPFTNSZBQEDK-YJBOKZPZSA-N 1 0 375.469 2.826 50 0 GFAARO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000058291413 205171419 /nfs/dbraw/zinc/17/14/19/205171419.db2.gz DUEWAQGGUOUUID-MRXNPFEDSA-N 1 0 375.494 2.635 50 0 GFAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)ccc12 ZINC000058381197 205173504 /nfs/dbraw/zinc/17/35/04/205173504.db2.gz OLPVDYOPQWIQJH-CRAIPNDOSA-N 1 0 385.464 2.724 50 0 GFAARO COCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000058393327 205174642 /nfs/dbraw/zinc/17/46/42/205174642.db2.gz PWWOSUYPEXPBDM-GFCCVEGCSA-N 1 0 375.296 2.988 50 0 GFAARO Cc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067612970 205251302 /nfs/dbraw/zinc/25/13/02/205251302.db2.gz IEWRDFHHKJDRIP-UHFFFAOYSA-N 1 0 397.498 2.806 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000067740608 205258546 /nfs/dbraw/zinc/25/85/46/205258546.db2.gz ZWXNLLXSRQFKFP-OAHLLOKOSA-N 1 0 399.988 2.841 50 0 GFAARO O=C(c1ccno1)N1CCC[C@]2(CC[N@H+](Cc3cccn3-c3cccnc3)C2)C1 ZINC000067757242 205258915 /nfs/dbraw/zinc/25/89/15/205258915.db2.gz BDDZOVTWDMYAHC-JOCHJYFZSA-N 1 0 391.475 2.989 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000067805553 205261114 /nfs/dbraw/zinc/26/11/14/205261114.db2.gz OJLHVQUPKUOTCJ-IBGZPJMESA-N 1 0 396.535 2.976 50 0 GFAARO O=S(=O)(c1ccc(-c2cnco2)cc1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067842482 205262193 /nfs/dbraw/zinc/26/21/93/205262193.db2.gz YUTLTOBSMSOXLY-UHFFFAOYSA-N 1 0 375.494 2.886 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccccc3)CC2)C1)N1CCOCC1 ZINC000067878154 205266431 /nfs/dbraw/zinc/26/64/31/205266431.db2.gz QJECUACMGYWSIW-YKNILIKBSA-N 1 0 397.563 2.735 50 0 GFAARO CC[C@@H]1CN(c2ccc(C(=O)NCCCc3ccc(OC)cc3)cn2)CC[NH2+]1 ZINC000067934211 205268331 /nfs/dbraw/zinc/26/83/31/205268331.db2.gz LMTADYUARGIWPQ-LJQANCHMSA-N 1 0 382.508 2.641 50 0 GFAARO Cn1cc(NC(=O)c2cccc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)c2)nn1 ZINC000067934591 205268677 /nfs/dbraw/zinc/26/86/77/205268677.db2.gz QFBNCTXMDVZOIN-SFHVURJKSA-N 1 0 377.448 2.503 50 0 GFAARO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000068860736 205272012 /nfs/dbraw/zinc/27/20/12/205272012.db2.gz OOALVXNKUAFVFQ-IBGZPJMESA-N 1 0 391.475 2.946 50 0 GFAARO CCC(CC)C(=O)N1CCC2(CC1)CN(Cc1c(C)noc1C)CC[N@@H+]2C ZINC000067490140 205248065 /nfs/dbraw/zinc/24/80/65/205248065.db2.gz DOKUEESWPMJRJF-UHFFFAOYSA-N 1 0 376.545 2.836 50 0 GFAARO CN1c2ccccc2[C@](CC(=O)N2CCC[N@H+](C)CC2)(Cc2ccccc2)C1=O ZINC000071524428 205286306 /nfs/dbraw/zinc/28/63/06/205286306.db2.gz YWVAPTMIJDVLIY-XMMPIXPASA-N 1 0 391.515 2.698 50 0 GFAARO O=C(CCC1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747931 205289843 /nfs/dbraw/zinc/28/98/43/205289843.db2.gz VYRLWXFCEYYZFE-HXUWFJFHSA-N 1 0 398.551 2.591 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071753165 205292415 /nfs/dbraw/zinc/29/24/15/205292415.db2.gz NHNARMSFWQBBGP-HXUWFJFHSA-N 1 0 383.536 2.934 50 0 GFAARO O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000072312744 205323415 /nfs/dbraw/zinc/32/34/15/205323415.db2.gz DLQPQVYZRJQLMK-GOSISDBHSA-N 1 0 387.499 2.765 50 0 GFAARO O[C@@H]1C[NH2+]CC[C@H]1CNc1ccc(-c2nc(CCCc3ccccc3)no2)cn1 ZINC000072140363 205309333 /nfs/dbraw/zinc/30/93/33/205309333.db2.gz WMBVLDURVBICCY-PKOBYXMFSA-N 1 0 393.491 2.689 50 0 GFAARO COc1ccc2cc([C@H]3CN(Cc4cc5n(n4)CC[NH2+]C5)CCO3)ccc2c1 ZINC000072145077 205311742 /nfs/dbraw/zinc/31/17/42/205311742.db2.gz LNLVOKGIPTWDQZ-JOCHJYFZSA-N 1 0 378.476 2.722 50 0 GFAARO O=C(c1ccncc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156817 205313825 /nfs/dbraw/zinc/31/38/25/205313825.db2.gz DJKFOQBGZQMJBA-IOMROCGXSA-N 1 0 377.444 2.513 50 0 GFAARO Cc1ncc(C(=O)N2CCC[C@H](N(C)CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000072170252 205315995 /nfs/dbraw/zinc/31/59/95/205315995.db2.gz ZYTLNWDDDCWDEJ-IBGZPJMESA-N 1 0 381.524 2.550 50 0 GFAARO CN(Cc1[nH]nc2c1CCCCC2)c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072171543 205316115 /nfs/dbraw/zinc/31/61/15/205316115.db2.gz XGJOKHNJGHWZFM-UHFFFAOYSA-N 1 0 375.480 2.770 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O ZINC000072448120 205352079 /nfs/dbraw/zinc/35/20/79/205352079.db2.gz QSSLQQJKQPBOSF-INIZCTEOSA-N 1 0 384.505 2.513 50 0 GFAARO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)NC3=O)C2)cc1OCc1ccccc1 ZINC000082115360 205387841 /nfs/dbraw/zinc/38/78/41/205387841.db2.gz XWKDAIPPZLROSM-JOCHJYFZSA-N 1 0 380.444 2.513 50 0 GFAARO CC[N@@H+]1CCC[C@H](c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)C1 ZINC000082161074 205389373 /nfs/dbraw/zinc/38/93/73/205389373.db2.gz KCRQTJTYVBOVQZ-HNNXBMFYSA-N 1 0 376.526 2.557 50 0 GFAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)C[C@H]1CCCO ZINC000091254455 205411941 /nfs/dbraw/zinc/41/19/41/205411941.db2.gz HSLGGKNQKZXLBE-UXHICEINSA-N 1 0 376.541 2.555 50 0 GFAARO CCOc1ncccc1C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013561 205517370 /nfs/dbraw/zinc/51/73/70/205517370.db2.gz DEAWWIKOPVZFGN-YLJYHZDGSA-N 1 0 399.491 2.996 50 0 GFAARO Cc1cc(C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000131256282 205693009 /nfs/dbraw/zinc/69/30/09/205693009.db2.gz KXMFLUSKVDCWHM-SJLPKXTDSA-N 1 0 377.492 2.917 50 0 GFAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cc(NC(C)=O)ccc1F ZINC000230148484 206112598 /nfs/dbraw/zinc/11/25/98/206112598.db2.gz RIBVUFGMGYEQJI-IRXDYDNUSA-N 1 0 393.503 2.870 50 0 GFAARO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527948 206141509 /nfs/dbraw/zinc/14/15/09/206141509.db2.gz DUMMDWSZDNAXRD-FUHWJXTLSA-N 1 0 377.492 2.917 50 0 GFAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)Cc3cccc(C)n3)CC2)c1 ZINC000244678759 206131528 /nfs/dbraw/zinc/13/15/28/206131528.db2.gz IJMPPPCENLAKMP-HXUWFJFHSA-N 1 0 380.536 2.958 50 0 GFAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(-c3ccc(F)cc3)c2)C1 ZINC000299789384 206192490 /nfs/dbraw/zinc/19/24/90/206192490.db2.gz YXHCVZBVZKBVAX-LJQANCHMSA-N 1 0 383.467 2.810 50 0 GFAARO CSCCC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299794761 206192591 /nfs/dbraw/zinc/19/25/91/206192591.db2.gz KREISSWTZYTTAS-IBGZPJMESA-N 1 0 396.528 2.649 50 0 GFAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCC[NH+]1CCC(O)CC1 ZINC000128594662 206208894 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O=C(CCC1CCN(c2cnccn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076949839 136171596 /nfs/dbraw/zinc/17/15/96/136171596.db2.gz OXIUOCQPLILJHV-NRFANRHFSA-N 1 0 393.535 2.864 50 0 GFAARO Cc1nc(C)c(C(=O)N2CCN(c3cc(-n4cccc4)nc(C)[nH+]3)CC2)s1 ZINC000090607832 136176010 /nfs/dbraw/zinc/17/60/10/136176010.db2.gz FLCKCZQDAWQJIA-UHFFFAOYSA-N 1 0 382.493 2.611 50 0 GFAARO COc1ccc(NC(=O)N2CCN(c3cc(-n4cccc4)nc(C)[nH+]3)CC2)cc1 ZINC000090607871 136176084 /nfs/dbraw/zinc/17/60/84/136176084.db2.gz DTUBYXMYSWMFDM-UHFFFAOYSA-N 1 0 392.463 2.938 50 0 GFAARO CCc1cc(N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)nc(N(C)C)[nH+]1 ZINC000095363189 136178147 /nfs/dbraw/zinc/17/81/47/136178147.db2.gz UCQAAAMLZUYIJS-GOSISDBHSA-N 1 0 379.508 2.748 50 0 GFAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)nc(N(C)C)[nH+]1 ZINC000095504999 136180088 /nfs/dbraw/zinc/18/00/88/136180088.db2.gz BTEMXEBTOGPLKD-OAHLLOKOSA-N 1 0 383.525 2.936 50 0 GFAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(N3CCOCC3)c1)CC2 ZINC000095511799 136180638 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CC(C)(O)CCc1ccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000072473466 222265703 /nfs/dbraw/zinc/26/57/03/222265703.db2.gz JJJWONMHIBTOQD-UHFFFAOYSA-N 1 0 387.568 2.696 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)csc2C1 ZINC000426489882 534364098 /nfs/dbraw/zinc/36/40/98/534364098.db2.gz HXVBXBQKZJBIJK-OAHLLOKOSA-N 1 0 388.537 2.735 50 0 GFAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000027400522 522481294 /nfs/dbraw/zinc/48/12/94/522481294.db2.gz AYFMIHCKEHNRBY-OAHLLOKOSA-N 1 0 376.840 2.826 50 0 GFAARO CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000426488520 528073459 /nfs/dbraw/zinc/07/34/59/528073459.db2.gz ZTACAQDORXEJKO-NRFANRHFSA-N 1 0 377.504 2.648 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@H+](CCN4CCOCC4)C3)C2=O)cc1 ZINC000426485748 528092519 /nfs/dbraw/zinc/09/25/19/528092519.db2.gz MVHJMZUSWOLJIG-DEOSSOPVSA-N 1 0 399.579 2.957 50 0 GFAARO CC(C)N1C[C@H](CNC(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000426497350 529098990 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GFAARO Cc1sc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000277839603 563228692 /nfs/dbraw/zinc/22/86/92/563228692.db2.gz LUYSZFIBHIOCGD-NWDGAFQWSA-N 1 0 382.283 2.542 50 0 GFAARO CCOc1ccccc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000096138152 570212237 /nfs/dbraw/zinc/21/22/37/570212237.db2.gz LFJCBBRAKJQCAD-UHFFFAOYSA-N 1 0 380.496 2.838 50 0 GFAARO CCN1CCC([NH+]2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)CC1 ZINC000096163609 570217089 /nfs/dbraw/zinc/21/70/89/570217089.db2.gz OVMREBFDSQVKEF-UHFFFAOYSA-N 1 0 383.544 2.522 50 0 GFAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc3c(c2)OCO3)c1=N ZINC000000780170 570222751 /nfs/dbraw/zinc/22/27/51/570222751.db2.gz LUISFFOEAJFISL-LJQANCHMSA-N 1 0 396.491 2.726 50 0 GFAARO CSCC(=O)N1CCC2(CC[NH+](CCc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097156029 570237887 /nfs/dbraw/zinc/23/78/87/570237887.db2.gz ZFKRXXBEKONQEJ-LJQANCHMSA-N 1 0 376.566 2.515 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770208 570239888 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CC(C)c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)nc2ncnn21 ZINC000215000480 570283786 /nfs/dbraw/zinc/28/37/86/570283786.db2.gz XATCFFHEHAODQC-AWEZNQCLSA-N 1 0 384.509 2.704 50 0 GFAARO CN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000012296628 570293893 /nfs/dbraw/zinc/29/38/93/570293893.db2.gz CRTKFYNHSTYBSF-GPQLQYNLSA-N 1 0 383.536 2.977 50 0 GFAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795066 570296270 /nfs/dbraw/zinc/29/62/70/570296270.db2.gz LAXMBUCZBXUBOA-UHFFFAOYSA-N 1 0 384.459 2.878 50 0 GFAARO O=C(NCC1CCN(CC(F)(F)F)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000186726790 570318316 /nfs/dbraw/zinc/31/83/16/570318316.db2.gz BFKHVBCNKGEORK-UHFFFAOYSA-N 1 0 376.467 2.531 50 0 GFAARO CCC[NH+]1CCC(N2CCN(Cc3ccccc3OCC)[C@@H](CCO)C2)CC1 ZINC000022919408 570335569 /nfs/dbraw/zinc/33/55/69/570335569.db2.gz LPPQBFKMIXRZEI-QFIPXVFZSA-N 1 0 389.584 2.828 50 0 GFAARO C[N@@H+]1CCCN(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000032856002 570395126 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O=C(CC[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)Nc1cccc(F)c1 ZINC000027781534 570442555 /nfs/dbraw/zinc/44/25/55/570442555.db2.gz JOKWYMYHWUCDMK-UHFFFAOYSA-N 1 0 375.366 2.545 50 0 GFAARO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000011999535 570453499 /nfs/dbraw/zinc/45/34/99/570453499.db2.gz MXONWKCOAGBHSI-GOSISDBHSA-N 1 0 388.489 2.573 50 0 GFAARO O=C(NCc1ccco1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035876617 570469815 /nfs/dbraw/zinc/46/98/15/570469815.db2.gz JGWQRJGLHWYDOH-MYKUNDNFSA-N 1 0 395.503 2.533 50 0 GFAARO COc1ccc2cc3cc(C(=O)NCCCN4CC[NH+](C)CC4)sc3nc2c1 ZINC000020178764 570514335 /nfs/dbraw/zinc/51/43/35/570514335.db2.gz VDYLRFFITKTWCE-UHFFFAOYSA-N 1 0 398.532 2.825 50 0 GFAARO CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855183 570557335 /nfs/dbraw/zinc/55/73/35/570557335.db2.gz DISCLUZANWXAFN-HNNXBMFYSA-N 1 0 376.457 2.744 50 0 GFAARO CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855185 570557608 /nfs/dbraw/zinc/55/76/08/570557608.db2.gz DISCLUZANWXAFN-OAHLLOKOSA-N 1 0 376.457 2.744 50 0 GFAARO CCCc1cc(N2CCN(Cc3ccc(OCC)cc3)CC2)n2ncnc2n1 ZINC000040149451 570558486 /nfs/dbraw/zinc/55/84/86/570558486.db2.gz SJZRUNDJEATFTL-UHFFFAOYSA-N 1 0 380.496 2.798 50 0 GFAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1=O ZINC000033005901 570619565 /nfs/dbraw/zinc/61/95/65/570619565.db2.gz PUOJEDFXCQSEGS-UHFFFAOYSA-N 1 0 390.487 2.579 50 0 GFAARO CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000096398497 570642546 /nfs/dbraw/zinc/64/25/46/570642546.db2.gz AZQIQQWIHWUNLT-INIZCTEOSA-N 1 0 391.581 2.888 50 0 GFAARO CN(C(=O)CCN1CCCCCC1=O)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012432117 570660090 /nfs/dbraw/zinc/66/00/90/570660090.db2.gz XLOMYWFHHCLBBM-OAQYLSRUSA-N 1 0 397.563 2.869 50 0 GFAARO Cc1ccc(-c2n[nH]cc2CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C ZINC000012446586 570666551 /nfs/dbraw/zinc/66/65/51/570666551.db2.gz IRBOTPUNVSTQIH-UHFFFAOYSA-N 1 0 395.551 2.999 50 0 GFAARO O=C(c1cccc(OC2CC[NH+](Cc3cccnc3)CC2)c1)N1CCOCC1 ZINC000012449181 570667792 /nfs/dbraw/zinc/66/77/92/570667792.db2.gz ZQGYBAMXTIEQNF-UHFFFAOYSA-N 1 0 381.476 2.597 50 0 GFAARO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012573928 570681782 /nfs/dbraw/zinc/68/17/82/570681782.db2.gz BFDCBEPYPHGTBF-HXUWFJFHSA-N 1 0 380.536 2.718 50 0 GFAARO Cc1cc(C(F)(F)F)nc(CCNc2nc(CC[NH3+])nc3ccccc32)n1 ZINC000065393907 570765100 /nfs/dbraw/zinc/76/51/00/570765100.db2.gz SLEZXPWWKDNUNO-UHFFFAOYSA-N 1 0 376.386 2.903 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583648151 570803986 /nfs/dbraw/zinc/80/39/86/570803986.db2.gz KGSLGCYRLICMDI-QUCCMNQESA-N 1 0 399.539 2.564 50 0 GFAARO CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C2CC[NH+](C)CC2)CC1=O ZINC000014537985 570848701 /nfs/dbraw/zinc/84/87/01/570848701.db2.gz HJNUYZMWEDPHDO-OAQYLSRUSA-N 1 0 391.531 2.605 50 0 GFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012550576 570854641 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50 0 GFAARO CCOc1cc(N2CC[NH+](C(C)C)CC2)ccc1NC(=O)COCC1CC1 ZINC000170606063 570863776 /nfs/dbraw/zinc/86/37/76/570863776.db2.gz CNFOMCJBUZJAOM-UHFFFAOYSA-N 1 0 375.513 2.981 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3snnc3C)C2)cc1 ZINC000014950585 570865731 /nfs/dbraw/zinc/86/57/31/570865731.db2.gz PCGROZMGWXREOX-KRWDZBQOSA-N 1 0 388.537 2.882 50 0 GFAARO Cc1nc(C)c(-c2nnc(SCC(=O)NC3CC[NH+](C4CC4)CC3)o2)s1 ZINC000097101309 570894805 /nfs/dbraw/zinc/89/48/05/570894805.db2.gz XOGIDVKMIPZSHW-UHFFFAOYSA-N 1 0 393.538 2.645 50 0 GFAARO CCCCn1c(CN(C)Cc2ccco2)nc2cc(S(N)(=O)=O)ccc21 ZINC000015482513 570894849 /nfs/dbraw/zinc/89/48/49/570894849.db2.gz SZYNBGLSJFRPDM-UHFFFAOYSA-N 1 0 376.482 2.709 50 0 GFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000534580317 570902634 /nfs/dbraw/zinc/90/26/34/570902634.db2.gz VFJZGLWKBRCRID-IBGZPJMESA-N 1 0 380.492 2.909 50 0 GFAARO Cc1cc2nc(CCNC(=O)N3CCN(c4cc[nH+]cc4)CC3)[nH]c2cc1C ZINC000534583268 570903711 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O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2ccccn2)[nH]c1=O ZINC000091468764 571009836 /nfs/dbraw/zinc/00/98/36/571009836.db2.gz JCEKBDWQHMVNOM-KRWDZBQOSA-N 1 0 389.459 2.639 50 0 GFAARO C[C@@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)C(c1ccccc1)c1ccccc1 ZINC000091575366 571015434 /nfs/dbraw/zinc/01/54/34/571015434.db2.gz ZVXUPSDUKFMCJO-QGZVFWFLSA-N 1 0 379.504 2.521 50 0 GFAARO Cc1nccn1CCC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091745186 571028342 /nfs/dbraw/zinc/02/83/42/571028342.db2.gz BXTGAGDJQGCCAJ-UHFFFAOYSA-N 1 0 384.528 2.633 50 0 GFAARO CCN1CC[C@@]2(CN(C(=O)Nc3cc(F)ccc3C)CC[N@@H+]2C)CCC1=O ZINC000091896766 571035508 /nfs/dbraw/zinc/03/55/08/571035508.db2.gz MSAQWGCLEQJLQT-HXUWFJFHSA-N 1 0 376.476 2.685 50 0 GFAARO Cc1ccc2[nH]c(CCC(=O)N3CC[C@H]([NH+](C)C)[C@H](CCCO)C3)nc2c1C ZINC000091943357 571036784 /nfs/dbraw/zinc/03/67/84/571036784.db2.gz JLVWIHNZHZEMAA-MJGOQNOKSA-N 1 0 386.540 2.664 50 0 GFAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000095359557 571054135 /nfs/dbraw/zinc/05/41/35/571054135.db2.gz QWRIAKFGGOQJGU-OAHLLOKOSA-N 1 0 394.441 2.811 50 0 GFAARO O=C(c1ccc(CO)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095359059 571054251 /nfs/dbraw/zinc/05/42/51/571054251.db2.gz AJRHFWNENWODLP-BHDDXSALSA-N 1 0 378.472 2.587 50 0 GFAARO O=C(C1CCC1)N1CC[C@]2(O)CC[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]2C1 ZINC000095364387 571057516 /nfs/dbraw/zinc/05/75/16/571057516.db2.gz MBTLHHIXQATWOR-DYESRHJHSA-N 1 0 394.462 2.873 50 0 GFAARO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c2ccccc21 ZINC000095376370 571064583 /nfs/dbraw/zinc/06/45/83/571064583.db2.gz NTKNRNANHZSHPZ-QZTJIDSGSA-N 1 0 379.504 2.875 50 0 GFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000095378703 571066203 /nfs/dbraw/zinc/06/62/03/571066203.db2.gz AEAUIYLDTDEZGF-HXUWFJFHSA-N 1 0 379.504 2.576 50 0 GFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000095378704 571066215 /nfs/dbraw/zinc/06/62/15/571066215.db2.gz AEAUIYLDTDEZGF-FQEVSTJZSA-N 1 0 379.504 2.576 50 0 GFAARO Cc1cccc(CN2CCN(C(=O)c3cccc([C@H]4CCC[NH2+]C4)c3)CC2=O)c1 ZINC000095382358 571068093 /nfs/dbraw/zinc/06/80/93/571068093.db2.gz XIJYWSPVMWEYSQ-QFIPXVFZSA-N 1 0 391.515 2.947 50 0 GFAARO Cc1c(CC(=O)N[C@@H]2CC[NH2+]C2)c2c(n1Cc1ccccc1F)CCCC2=O ZINC000095518601 571085647 /nfs/dbraw/zinc/08/56/47/571085647.db2.gz FIOCOHGDGITQBE-MRXNPFEDSA-N 1 0 383.467 2.524 50 0 GFAARO CC(C)n1ccnc1C1CCN(C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095526152 571090454 /nfs/dbraw/zinc/09/04/54/571090454.db2.gz GRQKPFATEYCMCG-SFHVURJKSA-N 1 0 375.561 2.586 50 0 GFAARO Cc1n[nH]c(C)c1CCCNC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000426394468 231213667 /nfs/dbraw/zinc/21/36/67/231213667.db2.gz CMKCTEQKEQOTCC-UHFFFAOYSA-N 1 0 375.542 2.938 50 0 GFAARO Cc1scnc1CSc1nnc(C2CC[NH2+]CC2)n1C[C@H]1CCCO1 ZINC000426495897 231230431 /nfs/dbraw/zinc/23/04/31/231230431.db2.gz YEBNJPWRHQMEQQ-CQSZACIVSA-N 1 0 379.555 2.981 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000005304914 204124837 /nfs/dbraw/zinc/12/48/37/204124837.db2.gz XKMDTELPCFPCFW-UHFFFAOYSA-N 1 0 396.466 2.656 50 0 GFAARO CCCC[N@H+](C)CCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936708 204093747 /nfs/dbraw/zinc/09/37/47/204093747.db2.gz PGWBPFSRXSVKLK-UHFFFAOYSA-N 1 0 375.538 2.962 50 0 GFAARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C)c(OC)c1OC ZINC000006790332 204206486 /nfs/dbraw/zinc/20/64/86/204206486.db2.gz PHPUALBOJDFDPX-QGZVFWFLSA-N 1 0 375.465 2.893 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000006798515 204207129 /nfs/dbraw/zinc/20/71/29/204207129.db2.gz XPPNIZDBURKXBI-ROUUACIJSA-N 1 0 387.524 2.676 50 0 GFAARO Cn1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000007686899 204246581 /nfs/dbraw/zinc/24/65/81/204246581.db2.gz HBQKWRYZNPTCPE-INIZCTEOSA-N 1 0 382.489 2.562 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000007828957 204252604 /nfs/dbraw/zinc/25/26/04/204252604.db2.gz LLBZABBCAMVAEQ-UHFFFAOYSA-N 1 0 395.503 2.960 50 0 GFAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+](C)C)nn1-c1ccccc1F ZINC000007941733 204255578 /nfs/dbraw/zinc/25/55/78/204255578.db2.gz QPKLWHMKVDJNKQ-UHFFFAOYSA-N 1 0 394.450 2.672 50 0 GFAARO O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCC1 ZINC000008310470 204271033 /nfs/dbraw/zinc/27/10/33/204271033.db2.gz PBDQXBLJKYQBHZ-QGZVFWFLSA-N 1 0 387.480 2.753 50 0 GFAARO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000009313929 204307541 /nfs/dbraw/zinc/30/75/41/204307541.db2.gz IOCBSPUJCIWNKJ-UHFFFAOYSA-N 1 0 375.494 2.838 50 0 GFAARO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000009446116 204311376 /nfs/dbraw/zinc/31/13/76/204311376.db2.gz XJEWXYIXFDLZQP-UHFFFAOYSA-N 1 0 393.534 2.603 50 0 GFAARO O=C(NC1CCCCCC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011874130 204358541 /nfs/dbraw/zinc/35/85/41/204358541.db2.gz STTNIRJWNFKGEX-SFHVURJKSA-N 1 0 375.557 2.938 50 0 GFAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000011977649 204366164 /nfs/dbraw/zinc/36/61/64/204366164.db2.gz ISOPQPQXCOYADN-CQSZACIVSA-N 1 0 383.427 2.560 50 0 GFAARO Cc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccn(C)n4)O3)CC2)cc1 ZINC000011973768 204366582 /nfs/dbraw/zinc/36/65/82/204366582.db2.gz QRSPHNCGAUHDNV-LJQANCHMSA-N 1 0 382.508 2.672 50 0 GFAARO Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C3)n1 ZINC000012048829 204368565 /nfs/dbraw/zinc/36/85/65/204368565.db2.gz ASWPVLVKKWZZPD-HNAYVOBHSA-N 1 0 398.482 2.804 50 0 GFAARO O=C(CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1)N1CCOCC1 ZINC000012076022 204370587 /nfs/dbraw/zinc/37/05/87/204370587.db2.gz OCXYFOJSYPASEE-UHFFFAOYSA-N 1 0 377.554 2.873 50 0 GFAARO Cn1cc(/C=C/C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000012432008 204407529 /nfs/dbraw/zinc/40/75/29/204407529.db2.gz CKSACKLLTUWYKZ-UPWIVDSGSA-N 1 0 378.520 2.991 50 0 GFAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022113 204587142 /nfs/dbraw/zinc/58/71/42/204587142.db2.gz HLHRORSILUDCPX-YGGLWSGOSA-N 1 0 389.883 2.515 50 0 GFAARO COc1cccc(CN2CCC[C@@H]([NH2+]CC(C)(C)CN3CCOCC3)C2)c1 ZINC000023373147 204806499 /nfs/dbraw/zinc/80/64/99/204806499.db2.gz MKOWBGCIUWBFDJ-HXUWFJFHSA-N 1 0 375.557 2.608 50 0 GFAARO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)CC)CC2)c1Cc1ccc(F)cc1 ZINC000036340785 205011331 /nfs/dbraw/zinc/01/13/31/205011331.db2.gz GSRAFYWRABEVFF-IBGZPJMESA-N 1 0 386.515 2.970 50 0 GFAARO CCOc1ccccc1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039438570 205041662 /nfs/dbraw/zinc/04/16/62/205041662.db2.gz AKWJMNOUFSXYOQ-JOCHJYFZSA-N 1 0 389.584 2.827 50 0 GFAARO C[NH+]1CCN(Cc2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000036396092 205015922 /nfs/dbraw/zinc/01/59/22/205015922.db2.gz BJUXWZWEWVJKLO-UHFFFAOYSA-N 1 0 384.499 2.615 50 0 GFAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc(OC)c1OC ZINC000039478509 205041937 /nfs/dbraw/zinc/04/19/37/205041937.db2.gz DARFYJFEXIDJBX-GOSISDBHSA-N 1 0 378.513 2.524 50 0 GFAARO COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1ccccc1C ZINC000040721859 205068607 /nfs/dbraw/zinc/06/86/07/205068607.db2.gz GMVAPQSTVVTJMP-UHFFFAOYSA-N 1 0 399.520 2.988 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC([NH3+])CC3)cc2Br)on1 ZINC000299738420 205090774 /nfs/dbraw/zinc/09/07/74/205090774.db2.gz AOQHTMBPLXVYGM-UHFFFAOYSA-N 1 0 394.269 2.888 50 0 GFAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000048325767 205119322 /nfs/dbraw/zinc/11/93/22/205119322.db2.gz IWJKDZGAUHKBOC-OAQYLSRUSA-N 1 0 378.520 2.960 50 0 GFAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000046147546 205104477 /nfs/dbraw/zinc/10/44/77/205104477.db2.gz GDUXBECIWOUMIQ-DLBZAZTESA-N 1 0 377.554 2.896 50 0 GFAARO CC(C)(CNC(=O)CCNC(=O)c1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000053028082 205134635 /nfs/dbraw/zinc/13/46/35/205134635.db2.gz CLKUPYWQBMFWEF-UHFFFAOYSA-N 1 0 397.494 2.899 50 0 GFAARO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053009113 205134683 /nfs/dbraw/zinc/13/46/83/205134683.db2.gz IMOBSVCQRSMZDR-UHFFFAOYSA-N 1 0 383.467 2.680 50 0 GFAARO COC[C@H](C)NC(=O)C1CC[NH+](Cc2cnc(-c3cccc(C)c3)nc2)CC1 ZINC000055309109 205146617 /nfs/dbraw/zinc/14/66/17/205146617.db2.gz CXGXOAACLGPFKM-KRWDZBQOSA-N 1 0 382.508 2.815 50 0 GFAARO COC[C@H](C)NC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000064609996 205192614 /nfs/dbraw/zinc/19/26/14/205192614.db2.gz CWENEJXHEOFTHA-IBGZPJMESA-N 1 0 387.568 2.823 50 0 GFAARO CCC[NH+]1CCC(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 ZINC000065541662 205237680 /nfs/dbraw/zinc/23/76/80/205237680.db2.gz QWLZBGKMWFURQL-UHFFFAOYSA-N 1 0 388.537 2.564 50 0 GFAARO O=C(Nc1nccnc1C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000065228700 205221284 /nfs/dbraw/zinc/22/12/84/205221284.db2.gz IFWCSEXAEBUXRA-UHFFFAOYSA-N 1 0 393.491 2.819 50 0 GFAARO CCNc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(C)[nH+]1 ZINC000067612156 205249809 /nfs/dbraw/zinc/24/98/09/205249809.db2.gz JOGLOBLCRDVQLM-UHFFFAOYSA-N 1 0 377.851 2.972 50 0 GFAARO CCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000067602191 205249915 /nfs/dbraw/zinc/24/99/15/205249915.db2.gz UZLDYHHDSBAXEE-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO Cc1c(CN(C)C(=O)[C@@H]2C[C@@H](NC(=O)C3CCCCC3)C[NH2+]2)[nH]c2ccccc12 ZINC000067689326 205255527 /nfs/dbraw/zinc/25/55/27/205255527.db2.gz UFTJABVMKGBLFX-XLIONFOSSA-N 1 0 396.535 2.862 50 0 GFAARO Cc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n(CC[NH+](C)C)n1 ZINC000067722844 205256319 /nfs/dbraw/zinc/25/63/19/205256319.db2.gz JARDZOVUEYRWLK-SFHVURJKSA-N 1 0 376.888 2.620 50 0 GFAARO Cc1noc(C)c1NC(=O)c1cccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000067727078 205256918 /nfs/dbraw/zinc/25/69/18/205256918.db2.gz ZOJJWZKCBOHNKU-UHFFFAOYSA-N 1 0 384.436 2.618 50 0 GFAARO CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067726700 205257465 /nfs/dbraw/zinc/25/74/65/205257465.db2.gz GCLUXEZYPBIEFD-GOSISDBHSA-N 1 0 378.948 2.769 50 0 GFAARO CS(=O)(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000067785638 205259970 /nfs/dbraw/zinc/25/99/70/205259970.db2.gz OJDCVOUJGCTAED-FQEVSTJZSA-N 1 0 379.570 2.617 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cc(C)ccc3C)C2=O)c1 ZINC000067805445 205260262 /nfs/dbraw/zinc/26/02/62/205260262.db2.gz PSLBIWOAMVDLQE-QHCPKHFHSA-N 1 0 382.504 2.955 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(C)cc(F)c3)CC2)C1 ZINC000067854897 205264073 /nfs/dbraw/zinc/26/40/73/205264073.db2.gz DGEVNJXOGOVICY-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC=CC1 ZINC000071662759 205284849 /nfs/dbraw/zinc/28/48/49/205284849.db2.gz DHDUTPQVCVXMIH-KRWDZBQOSA-N 1 0 380.492 2.907 50 0 GFAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000071575657 205285216 /nfs/dbraw/zinc/28/52/16/205285216.db2.gz AFMWDYDVDSUBBE-KRWDZBQOSA-N 1 0 376.570 2.750 50 0 GFAARO Cc1cccnc1[C@H](C)Nc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071748988 205288783 /nfs/dbraw/zinc/28/87/83/205288783.db2.gz CDENFEPYYGNRNI-AWEZNQCLSA-N 1 0 388.475 2.765 50 0 GFAARO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071750672 205292053 /nfs/dbraw/zinc/29/20/53/205292053.db2.gz VVQBRGXFDOIRTH-IBGZPJMESA-N 1 0 383.536 2.934 50 0 GFAARO O=c1n(Cc2cc(F)cc(F)c2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000071763905 205295525 /nfs/dbraw/zinc/29/55/25/205295525.db2.gz XNAKBVQGNHUPFW-UHFFFAOYSA-N 1 0 384.430 2.887 50 0 GFAARO C[C@H](CCN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1)[NH+]1CCCC1 ZINC000072138769 205308651 /nfs/dbraw/zinc/30/86/51/205308651.db2.gz GKLKRTVFYNMRMH-OAHLLOKOSA-N 1 0 375.904 2.926 50 0 GFAARO COc1ccc(Oc2cccc(CN3CCO[C@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC000072162650 205312600 /nfs/dbraw/zinc/31/26/00/205312600.db2.gz PZAQWHZEORPDHY-QFIPXVFZSA-N 1 0 384.476 2.678 50 0 GFAARO Cc1c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)[nH]nc1-c1ccc(Cl)cc1 ZINC000072163905 205315795 /nfs/dbraw/zinc/31/57/95/205315795.db2.gz HINFWASBUHVYRN-LJQANCHMSA-N 1 0 376.888 2.567 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2ccc3c(c2)CCO3)c2ccccc2C12CC[NH2+]CC2 ZINC000072453668 205352706 /nfs/dbraw/zinc/35/27/06/205352706.db2.gz FOJAGLHEZGSOHU-RTWAWAEBSA-N 1 0 378.472 2.742 50 0 GFAARO Cc1ccc(OC2(C(=O)NCCN3CCc4ccccc43)CC[NH2+]CC2)cc1 ZINC000077421639 205362299 /nfs/dbraw/zinc/36/22/99/205362299.db2.gz UKOZQVSQONBWOQ-UHFFFAOYSA-N 1 0 379.504 2.675 50 0 GFAARO CSCC[C@H]([NH3+])C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072407032 205345922 /nfs/dbraw/zinc/34/59/22/205345922.db2.gz FCOQTHLRFQZYFC-AWEZNQCLSA-N 1 0 376.444 2.596 50 0 GFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1-c1nc[nH]n1 ZINC000072420328 205346423 /nfs/dbraw/zinc/34/64/23/205346423.db2.gz PBSUNHYQXFHRTG-SFHVURJKSA-N 1 0 375.476 2.909 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccccc1-c1nc[nH]n1 ZINC000072420329 205348510 /nfs/dbraw/zinc/34/85/10/205348510.db2.gz PBSUNHYQXFHRTG-GOSISDBHSA-N 1 0 375.476 2.909 50 0 GFAARO CN(C)Cc1nnc(C2CC[NH+](C3CSCCSC3)CC2)n1C1CC1 ZINC000082087201 205385721 /nfs/dbraw/zinc/38/57/21/205385721.db2.gz PAZLRSSKBJCSKF-UHFFFAOYSA-N 1 0 381.615 2.703 50 0 GFAARO Cc1c(CCOC(=O)C23CCC(CC2)C3)sc[n+]1Cc1cnc(C)nc1N ZINC000001216218 205706958 /nfs/dbraw/zinc/70/69/58/205706958.db2.gz SNQYTSHJQRKIIW-UHFFFAOYSA-N 1 0 387.529 2.739 50 0 GFAARO COc1ccc(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000029156047 206055351 /nfs/dbraw/zinc/05/53/51/206055351.db2.gz PBEVXDVSMRBYDQ-UHFFFAOYSA-N 1 0 381.520 2.562 50 0 GFAARO O=S(=O)(Cc1cc(F)ccc1F)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225574273 206058901 /nfs/dbraw/zinc/05/89/01/206058901.db2.gz QXUNITDLXFYMSV-INIZCTEOSA-N 1 0 390.521 2.602 50 0 GFAARO Cc1cccc(NC(=O)C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1C ZINC000225574968 206059648 /nfs/dbraw/zinc/05/96/48/206059648.db2.gz ZGKXAFUSOBWAFC-KRWDZBQOSA-N 1 0 375.538 2.576 50 0 GFAARO CC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000032124243 206089249 /nfs/dbraw/zinc/08/92/49/206089249.db2.gz DCUIBMSSBAZLCQ-QFBILLFUSA-N 1 0 395.507 2.601 50 0 GFAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1nnc(-c2ccccc2)o1 ZINC000031559863 206087281 /nfs/dbraw/zinc/08/72/81/206087281.db2.gz LYFRSNSZLHDFDX-UHFFFAOYSA-N 1 0 391.475 2.535 50 0 GFAARO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000060364919 206102534 /nfs/dbraw/zinc/10/25/34/206102534.db2.gz FLCYUDIHGJPCND-HNNXBMFYSA-N 1 0 386.496 2.720 50 0 GFAARO CCOc1cccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000230145557 206112692 /nfs/dbraw/zinc/11/26/92/206112692.db2.gz LDKCTYFSNXYERN-HSZRJFAPSA-N 1 0 385.552 2.994 50 0 GFAARO CCc1nnc(NC(=O)CC[NH+]2CCC(c3nc(C(C)C)no3)CC2)s1 ZINC000243892542 206129176 /nfs/dbraw/zinc/12/91/76/206129176.db2.gz AINOPPFNFZBTEO-UHFFFAOYSA-N 1 0 378.502 2.815 50 0 GFAARO O=C(Nc1cccc(-n2cnnc2)c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299755259 206184255 /nfs/dbraw/zinc/18/42/55/206184255.db2.gz DTZSIPVGGLHWKA-UHFFFAOYSA-N 1 0 388.475 2.584 50 0 GFAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000299770370 206188717 /nfs/dbraw/zinc/18/87/17/206188717.db2.gz QMTHDPZPVRWEAY-SFHVURJKSA-N 1 0 380.366 2.706 50 0 GFAARO [NH3+][C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 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GFAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCCc2nnnn2-c2ccccc2)C1 ZINC000048275377 205116005 /nfs/dbraw/zinc/11/60/05/205116005.db2.gz QGUKHXZEYLLCHC-GOSISDBHSA-N 1 0 390.491 2.946 50 0 GFAARO Cc1sc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000299749830 205103675 /nfs/dbraw/zinc/10/36/75/205103675.db2.gz LUYSZFIBHIOCGD-RYUDHWBXSA-N 1 0 382.283 2.542 50 0 GFAARO CCC(=O)Nc1ccc(OCC(=O)N(C)C[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000055120056 205143866 /nfs/dbraw/zinc/14/38/66/205143866.db2.gz XCVXEGXEQWBKIP-KRWDZBQOSA-N 1 0 375.513 2.850 50 0 GFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000055311289 205146891 /nfs/dbraw/zinc/14/68/91/205146891.db2.gz PBWWVMDNMKXXHH-PMACEKPBSA-N 1 0 395.528 2.592 50 0 GFAARO Cc1cccc(NC(=O)CC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCC2)c1C ZINC000055309412 205147600 /nfs/dbraw/zinc/14/76/00/205147600.db2.gz YGHNCURFAMYXDO-FQEVSTJZSA-N 1 0 380.492 2.980 50 0 GFAARO Cc1nnc(SCCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)s1 ZINC000055393435 205149597 /nfs/dbraw/zinc/14/95/97/205149597.db2.gz UDFQWVJOJRHZBS-CQSZACIVSA-N 1 0 380.539 2.950 50 0 GFAARO C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200930 205154490 /nfs/dbraw/zinc/15/44/90/205154490.db2.gz SOOURSAASJWNLH-CQSZACIVSA-N 1 0 395.345 2.669 50 0 GFAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000057200927 205155412 /nfs/dbraw/zinc/15/54/12/205155412.db2.gz SOOURSAASJWNLH-AWEZNQCLSA-N 1 0 395.345 2.669 50 0 GFAARO CC(C)Oc1cccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000058217803 205169675 /nfs/dbraw/zinc/16/96/75/205169675.db2.gz RILCNFALFYUSSV-UHFFFAOYSA-N 1 0 375.513 2.728 50 0 GFAARO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058406609 205174431 /nfs/dbraw/zinc/17/44/31/205174431.db2.gz WSFUKHIVBRCTJR-CHWSQXEVSA-N 1 0 380.432 2.907 50 0 GFAARO CC[NH+]1CCN(CCCNC(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000058412126 205174916 /nfs/dbraw/zinc/17/49/16/205174916.db2.gz KPZDFQJWNJSWAT-UHFFFAOYSA-N 1 0 394.313 2.953 50 0 GFAARO CCS(=O)(=O)c1ccccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000058972887 205179167 /nfs/dbraw/zinc/17/91/67/205179167.db2.gz PRBYWHHWZIUNJG-IRXDYDNUSA-N 1 0 380.554 2.968 50 0 GFAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2cccs2)on1 ZINC000060344669 205180794 /nfs/dbraw/zinc/18/07/94/205180794.db2.gz RCDFCKGHTLAOAG-UHFFFAOYSA-N 1 0 379.482 2.749 50 0 GFAARO CNS(=O)(=O)CC[NH2+]Cc1cnc(Nc2cccc3ccccc32)s1 ZINC000063883255 205189516 /nfs/dbraw/zinc/18/95/16/205189516.db2.gz IVMRHJQPQHFYBE-UHFFFAOYSA-N 1 0 376.507 2.679 50 0 GFAARO Cn1cncc1[C@H]1N[C@](CO)(c2ccccc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000065467365 205234459 /nfs/dbraw/zinc/23/44/59/205234459.db2.gz GGPPQPDBPHFIDR-AWAHEQQVSA-N 1 0 388.515 2.700 50 0 GFAARO CC[N@@H+]1CCC[C@@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)C1 ZINC000067514253 205249089 /nfs/dbraw/zinc/24/90/89/205249089.db2.gz LCGFLSJHWJHFAF-OAQYLSRUSA-N 1 0 378.520 2.992 50 0 GFAARO [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)Nc2cnc3n2CCCC3)c1 ZINC000067740012 205258813 /nfs/dbraw/zinc/25/88/13/205258813.db2.gz XESANISPBZGFGT-UHFFFAOYSA-N 1 0 390.447 2.578 50 0 GFAARO O=C(c1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000067787033 205260457 /nfs/dbraw/zinc/26/04/57/205260457.db2.gz AZZKQRQNIZSCMG-GOSISDBHSA-N 1 0 378.476 2.676 50 0 GFAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000067805834 205262126 /nfs/dbraw/zinc/26/21/26/205262126.db2.gz BWSSTPHOLLYDPM-QGZVFWFLSA-N 1 0 384.480 2.960 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)cc3C)CC2)C1 ZINC000067840639 205263225 /nfs/dbraw/zinc/26/32/25/205263225.db2.gz RLLFOSFNPIDWSM-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccc(F)cc3)C2=O)c1 ZINC000067966267 205270682 /nfs/dbraw/zinc/27/06/82/205270682.db2.gz XJPINULSODBSLO-OAQYLSRUSA-N 1 0 390.430 2.617 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)Cc3cccs3)C2=O)c1 ZINC000067982155 205271044 /nfs/dbraw/zinc/27/10/44/205271044.db2.gz HWAUURASZBATLR-FQEVSTJZSA-N 1 0 392.496 2.881 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cnn(C)c3)C2=O)cc1 ZINC000067434842 205247086 /nfs/dbraw/zinc/24/70/86/205247086.db2.gz AANPDYXJWZKGCS-QFIPXVFZSA-N 1 0 384.524 2.529 50 0 GFAARO O=C(CCc1ccccc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071415681 205283307 /nfs/dbraw/zinc/28/33/07/205283307.db2.gz ZLKMVBILIDOABE-OAQYLSRUSA-N 1 0 397.563 2.945 50 0 GFAARO CCc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncc1C ZINC000071422270 205284147 /nfs/dbraw/zinc/28/41/47/205284147.db2.gz MMKPIVSEOFTURB-SFHVURJKSA-N 1 0 385.556 2.651 50 0 GFAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)sc1C ZINC000071614468 205284776 /nfs/dbraw/zinc/28/47/76/205284776.db2.gz RLKGGBMYFICRAE-MRXNPFEDSA-N 1 0 376.570 2.715 50 0 GFAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071661229 205286158 /nfs/dbraw/zinc/28/61/58/205286158.db2.gz GHHQOTHTQXVGBC-QGZVFWFLSA-N 1 0 399.564 2.531 50 0 GFAARO COc1cc(Cn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)cc(OC)c1 ZINC000071738672 205286807 /nfs/dbraw/zinc/28/68/07/205286807.db2.gz FNVYAZXSTDDSOE-KRWDZBQOSA-N 1 0 394.475 2.567 50 0 GFAARO O=S(=O)(NCc1ccccc1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000071746856 205288843 /nfs/dbraw/zinc/28/88/43/205288843.db2.gz RLTMTBOFPQASIK-IBGZPJMESA-N 1 0 377.485 2.587 50 0 GFAARO CN1c2ccccc2[C@](CC(=O)NC2CC[NH+](C)CC2)(Cc2ccccc2)C1=O ZINC000071754438 205292073 /nfs/dbraw/zinc/29/20/73/205292073.db2.gz BPCRUKXNYDPHMZ-XMMPIXPASA-N 1 0 391.515 2.744 50 0 GFAARO CN1c2ccccc2[C@](CC(=O)NC(C)(C)C[NH+](C)C)(Cc2ccccc2)C1=O ZINC000071767928 205294910 /nfs/dbraw/zinc/29/49/10/205294910.db2.gz NXYVMRHTYOVMSF-XMMPIXPASA-N 1 0 393.531 2.990 50 0 GFAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cs1 ZINC000071763623 205295994 /nfs/dbraw/zinc/29/59/94/205295994.db2.gz JHQZNRMNXKPLPI-HNNXBMFYSA-N 1 0 375.538 2.652 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC(F)CC1 ZINC000071777206 205297129 /nfs/dbraw/zinc/29/71/29/205297129.db2.gz UWTWNVHYWJUGAY-IBGZPJMESA-N 1 0 388.531 2.719 50 0 GFAARO O=C(c1n[nH]c2c1CCC2)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072161921 205313766 /nfs/dbraw/zinc/31/37/66/205313766.db2.gz OUUOYTRBKWFQRI-IOMROCGXSA-N 1 0 380.467 2.740 50 0 GFAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1 ZINC000072169286 205316346 /nfs/dbraw/zinc/31/63/46/205316346.db2.gz KIZOUUJZHHAUED-NRFANRHFSA-N 1 0 382.512 2.841 50 0 GFAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc2c(c1)[nH]c1c2CCCC1=O ZINC000072468232 205353591 /nfs/dbraw/zinc/35/35/91/205353591.db2.gz BQZYLMFVCAVCCH-UHFFFAOYSA-N 1 0 377.448 2.558 50 0 GFAARO CCn1ccc2cc(CCC(=O)N3CCN(C4CC[NH+](C)CC4)CC3)ccc21 ZINC000075550650 205357011 /nfs/dbraw/zinc/35/70/11/205357011.db2.gz ZGYPDAFXSCNQDX-UHFFFAOYSA-N 1 0 382.552 2.832 50 0 GFAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)CN1CCO ZINC000077301594 205359324 /nfs/dbraw/zinc/35/93/24/205359324.db2.gz QMWCMXIDNBQTMK-QHCPKHFHSA-N 1 0 379.504 2.946 50 0 GFAARO CCc1nnc(SCC(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000077408105 205361793 /nfs/dbraw/zinc/36/17/93/205361793.db2.gz DNBGOIUTRYVLIS-UHFFFAOYSA-N 1 0 387.553 2.830 50 0 GFAARO Cc1cc(C[C@@H](C)NC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)[nH]n1 ZINC000077505140 205363467 /nfs/dbraw/zinc/36/34/67/205363467.db2.gz JZKDXYACLJNVIZ-CYBMUJFWSA-N 1 0 376.888 2.620 50 0 GFAARO COc1ccc(OC2CCN(C(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000077520731 205365229 /nfs/dbraw/zinc/36/52/29/205365229.db2.gz CFCYFQGSEXJORL-FQEVSTJZSA-N 1 0 376.497 2.564 50 0 GFAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccc(Cn2ccc3ccccc32)o1 ZINC000082097721 205386298 /nfs/dbraw/zinc/38/62/98/205386298.db2.gz OFEKOQMDOZWZKT-UHFFFAOYSA-N 1 0 375.432 2.512 50 0 GFAARO O=C(COc1cccc(F)c1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082097345 205386370 /nfs/dbraw/zinc/38/63/70/205386370.db2.gz VLSXZDLVKLPGTE-UHFFFAOYSA-N 1 0 386.471 2.866 50 0 GFAARO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022466171 205952633 /nfs/dbraw/zinc/95/26/33/205952633.db2.gz FHXXZKLLCIRCJO-QHCPKHFHSA-N 1 0 398.547 2.823 50 0 GFAARO CNC(=O)c1ccn([C@@H]2CCCN(Cc3[nH+]c(C(C)C)n4ccccc34)C2)n1 ZINC000225423833 206046788 /nfs/dbraw/zinc/04/67/88/206046788.db2.gz CJLQKDKKPMMJIZ-MRXNPFEDSA-N 1 0 380.496 2.851 50 0 GFAARO O=S(=O)(Cc1ccccc1Cl)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225573143 206059268 /nfs/dbraw/zinc/05/92/68/206059268.db2.gz YVOAHNZUIACIGO-MRXNPFEDSA-N 1 0 388.986 2.977 50 0 GFAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000230202560 206113020 /nfs/dbraw/zinc/11/30/20/206113020.db2.gz JUIUOTIUIWZUJS-IRXDYDNUSA-N 1 0 391.947 2.727 50 0 GFAARO COCC[NH+]1CCC(CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 ZINC000241644738 206126337 /nfs/dbraw/zinc/12/63/37/206126337.db2.gz PTAGWQBMPIUPLK-UHFFFAOYSA-N 1 0 392.450 2.547 50 0 GFAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cc(NC(C)=O)ccc1F ZINC000230148492 206111648 /nfs/dbraw/zinc/11/16/48/206111648.db2.gz RIBVUFGMGYEQJI-DLBZAZTESA-N 1 0 393.503 2.870 50 0 GFAARO CCn1c(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240228085 206127423 /nfs/dbraw/zinc/12/74/23/206127423.db2.gz KFVLOFUTSPZWDU-KDYLLFBJSA-N 1 0 383.475 2.664 50 0 GFAARO COc1ccc([C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)N2CCOCC2)cc1 ZINC000253416742 206145470 /nfs/dbraw/zinc/14/54/70/206145470.db2.gz OMUIBCRLEHWOPL-HXUWFJFHSA-N 1 0 384.524 2.946 50 0 GFAARO CSCC[C@@H](CO)NC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000253408413 206145730 /nfs/dbraw/zinc/14/57/30/206145730.db2.gz KRNJUCPKTZRUBL-FQEVSTJZSA-N 1 0 384.545 2.938 50 0 GFAARO OCC[NH2+]CCCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491939 206183733 /nfs/dbraw/zinc/18/37/33/206183733.db2.gz LVTVYKPMVSSRLL-UHFFFAOYSA-N 1 0 399.926 2.708 50 0 GFAARO C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3Oc3cccnc3)C2)CC1 ZINC000299781285 206189677 /nfs/dbraw/zinc/18/96/77/206189677.db2.gz DIQZKEHQKAZVTC-QGZVFWFLSA-N 1 0 381.480 2.728 50 0 GFAARO COc1ccc(-c2nc3c4c(C)c(C)n(CC[NH+](C)C)c4ncn3n2)cc1OC ZINC000013629498 221278462 /nfs/dbraw/zinc/27/84/62/221278462.db2.gz ZHZWNDDUTCPNJU-UHFFFAOYSA-N 1 0 394.479 2.942 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncnc3ccsc32)CC1 ZINC000058913323 136155730 /nfs/dbraw/zinc/15/57/30/136155730.db2.gz GBRFWKRZRFNFMJ-UHFFFAOYSA-N 1 0 375.542 2.756 50 0 GFAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccco4)c(C)c32)CC1 ZINC000064957330 136158355 /nfs/dbraw/zinc/15/83/55/136158355.db2.gz STVMQMRLBYICBE-UHFFFAOYSA-N 1 0 385.493 2.665 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(c3nc(C)cnc3C)C[C@H]2CCO)c(C)c1C ZINC000072431118 136170072 /nfs/dbraw/zinc/17/00/72/136170072.db2.gz RLYWLZUVZGZXPJ-HXUWFJFHSA-N 1 0 384.524 2.792 50 0 GFAARO Fc1cnc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nc1N1CCOCC1 ZINC000072470612 136171047 /nfs/dbraw/zinc/17/10/47/136171047.db2.gz YQNYADCNVJISKG-KRWDZBQOSA-N 1 0 377.508 2.909 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cc(N(C)C)[nH+]1 ZINC000082230457 136174509 /nfs/dbraw/zinc/17/45/09/136174509.db2.gz IPFIEVMCIKSZAC-UHFFFAOYSA-N 1 0 375.476 2.967 50 0 GFAARO CNc1nc(N2CC[NH+](CCc3ccccc3)CC2)ncc1Br ZINC000096011487 136183258 /nfs/dbraw/zinc/18/32/58/136183258.db2.gz LNXXKQOAICNZCG-UHFFFAOYSA-N 1 0 376.302 2.646 50 0 GFAARO Cc1nccn1-c1ccccc1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065460696 222129716 /nfs/dbraw/zinc/12/97/16/222129716.db2.gz VRPULHSXKWUVRH-UHFFFAOYSA-N 1 0 377.473 2.646 50 0 GFAARO C[C@H](CCn1cccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077538536 222285122 /nfs/dbraw/zinc/28/51/22/222285122.db2.gz ZCDMDSFPGZQRHW-OAHLLOKOSA-N 1 0 376.888 2.633 50 0 GFAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000241316722 519628961 /nfs/dbraw/zinc/62/89/61/519628961.db2.gz LUIYIUHNIKGPGR-FXAWDEMLSA-N 1 0 375.538 2.597 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1 ZINC000241326111 519732322 /nfs/dbraw/zinc/73/23/22/519732322.db2.gz LZIVSHNPXFMHFQ-OKZBNKHCSA-N 1 0 389.544 2.795 50 0 GFAARO CCOc1cc(Br)c(CC(=O)N2CC[C@H](C[NH3+])C2)cc1OCC ZINC000178524372 520649265 /nfs/dbraw/zinc/64/92/65/520649265.db2.gz NGPYDTTWZMHFDJ-GFCCVEGCSA-N 1 0 385.302 2.596 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cn2)CC1 ZINC000012613975 536422187 /nfs/dbraw/zinc/42/21/87/536422187.db2.gz GQCIEMWDOQYGIJ-UHFFFAOYSA-N 1 0 398.492 2.516 50 0 GFAARO CCOc1c(Br)cc(Br)cc1C[NH2+]CCOCCO ZINC000010435716 551105090 /nfs/dbraw/zinc/10/50/90/551105090.db2.gz YBPKIVBIMKJFFG-UHFFFAOYSA-N 1 0 397.107 2.709 50 0 GFAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000050246618 551160710 /nfs/dbraw/zinc/16/07/10/551160710.db2.gz PEJNSAIZFCACRT-SSDOTTSWSA-N 1 0 388.114 2.725 50 0 GFAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000666854592 565560831 /nfs/dbraw/zinc/56/08/31/565560831.db2.gz GOSBUZCQJXBUOK-LBPRGKRZSA-N 1 0 387.933 2.985 50 0 GFAARO OCC[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751686 566085631 /nfs/dbraw/zinc/08/56/31/566085631.db2.gz QEIQGZXHIWFRRT-MAUKXSAKSA-N 1 0 383.330 2.716 50 0 GFAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096131532 570210965 /nfs/dbraw/zinc/21/09/65/570210965.db2.gz AXVVLAYOOVQIHD-UHFFFAOYSA-N 1 0 376.508 2.890 50 0 GFAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc1 ZINC000019730708 570211432 /nfs/dbraw/zinc/21/14/32/570211432.db2.gz KPEDHAPTJMPOKC-FQEVSTJZSA-N 1 0 386.540 2.796 50 0 GFAARO Cn1ccc(NC(=O)CN2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)n1 ZINC000096166849 570218361 /nfs/dbraw/zinc/21/83/61/570218361.db2.gz QMQSOYRYGZUIJA-IBGZPJMESA-N 1 0 381.524 2.560 50 0 GFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(-n2cncn2)nc1 ZINC000048132824 570219149 /nfs/dbraw/zinc/21/91/49/570219149.db2.gz FBUBDVPYSZABJK-OAHLLOKOSA-N 1 0 383.481 2.682 50 0 GFAARO COC(=O)c1ccc(C[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)cc1 ZINC000019838635 570224072 /nfs/dbraw/zinc/22/40/72/570224072.db2.gz WSBHRNRJHBTAPO-UHFFFAOYSA-N 1 0 392.459 2.647 50 0 GFAARO COc1cc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC000019851831 570225762 /nfs/dbraw/zinc/22/57/62/570225762.db2.gz DYKNMTQQRZKZBS-UHFFFAOYSA-N 1 0 383.492 2.850 50 0 GFAARO Cc1nnc(-c2ccc(C)c(NC(=O)N3CC[NH+](C4CCOCC4)CC3)c2)o1 ZINC000097468049 570244457 /nfs/dbraw/zinc/24/44/57/570244457.db2.gz OCYAPVOWXBSHBX-UHFFFAOYSA-N 1 0 385.468 2.682 50 0 GFAARO CN1CC[N@@H+]2C[C@@H](NC(=O)Nc3cccnc3Oc3ccc(F)cc3)C[C@H]2C1 ZINC000097528896 570245595 /nfs/dbraw/zinc/24/55/95/570245595.db2.gz BTNNLNUCLSXIKU-HOTGVXAUSA-N 1 0 385.443 2.523 50 0 GFAARO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)CC1 ZINC000020538144 570266346 /nfs/dbraw/zinc/26/63/46/570266346.db2.gz ZTUNZOWNVYRTQI-KRWDZBQOSA-N 1 0 379.495 2.774 50 0 GFAARO CCOc1cc(C)c(C[N@@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc1C(C)C ZINC000215542824 570289745 /nfs/dbraw/zinc/28/97/45/570289745.db2.gz IKZFLTVEFHTLKJ-SFTDATJTSA-N 1 0 376.541 2.785 50 0 GFAARO COc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1OCc1ccc(F)cc1 ZINC000215643942 570290377 /nfs/dbraw/zinc/29/03/77/570290377.db2.gz QPYYUMHNEKMRJT-MJGOQNOKSA-N 1 0 375.440 2.588 50 0 GFAARO Cn1cnc2cc(C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)ccc2c1=O ZINC000216410060 570300845 /nfs/dbraw/zinc/30/08/45/570300845.db2.gz USXXHTIZXMGOHR-UHFFFAOYSA-N 1 0 390.487 2.500 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)c(C)c2)CC1 ZINC000022238034 570309904 /nfs/dbraw/zinc/30/99/04/570309904.db2.gz RWESDVKWCNEVTQ-UHFFFAOYSA-N 1 0 381.480 2.880 50 0 GFAARO CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000022518459 570319702 /nfs/dbraw/zinc/31/97/02/570319702.db2.gz SGLOMXBZFSORIX-LJQANCHMSA-N 1 0 395.503 2.816 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1sc2[nH]c(Cc3ccccc3)nc(=O)c2c1C ZINC000022704626 570325292 /nfs/dbraw/zinc/32/52/92/570325292.db2.gz SJDKYIPFOODEMH-UHFFFAOYSA-N 1 0 398.532 2.955 50 0 GFAARO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000023962322 570340481 /nfs/dbraw/zinc/34/04/81/570340481.db2.gz UXGCFVBEMWLRLG-HXUWFJFHSA-N 1 0 399.560 2.916 50 0 GFAARO COc1ccccc1NC(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697830 570344824 /nfs/dbraw/zinc/34/48/24/570344824.db2.gz GATGZBXRJATGSA-UHFFFAOYSA-N 1 0 379.424 2.857 50 0 GFAARO C[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000035378014 570347574 /nfs/dbraw/zinc/34/75/74/570347574.db2.gz MGRDRDCNWXUTTI-VGSWGCGISA-N 1 0 391.515 2.817 50 0 GFAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@@H](C)c4nncn4C)CC3)c2)n1 ZINC000023581992 570366424 /nfs/dbraw/zinc/36/64/24/570366424.db2.gz ZPIZQKMMOKAFND-HNNXBMFYSA-N 1 0 377.496 2.900 50 0 GFAARO c1coc(CN2CCC([NH2+][C@@H]3COCC[C@@H]3OCc3cscn3)CC2)c1 ZINC000220350795 570385466 /nfs/dbraw/zinc/38/54/66/570385466.db2.gz IYSKGTBMVRJBGG-MOPGFXCFSA-N 1 0 377.510 2.664 50 0 GFAARO CC(C)n1ncc2cc(NC(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCCC3)cnc21 ZINC000069922909 570392248 /nfs/dbraw/zinc/39/22/48/570392248.db2.gz XETNWMFXHOFFCA-YJBOKZPZSA-N 1 0 386.500 2.635 50 0 GFAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCC[NH+]1CCC(O)CC1 ZINC000237786752 570397489 /nfs/dbraw/zinc/39/74/89/570397489.db2.gz LWTFSNJFKXMUAZ-UHFFFAOYSA-N 1 0 378.467 2.704 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000025332424 570411288 /nfs/dbraw/zinc/41/12/88/570411288.db2.gz PPZPPJUFNVYPOY-KRWDZBQOSA-N 1 0 375.494 2.612 50 0 GFAARO C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025636779 570417471 /nfs/dbraw/zinc/41/74/71/570417471.db2.gz KUIGVGHYFUKDIP-QGZVFWFLSA-N 1 0 377.488 2.990 50 0 GFAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)N1CCCc2ccccc21 ZINC000025696664 570418185 /nfs/dbraw/zinc/41/81/85/570418185.db2.gz VKWPBUNMDMIPMG-IBGZPJMESA-N 1 0 393.531 2.976 50 0 GFAARO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000027357809 570433557 /nfs/dbraw/zinc/43/35/57/570433557.db2.gz GAYWGQNCSYIFRC-MRXNPFEDSA-N 1 0 375.469 2.933 50 0 GFAARO CCc1cc2oc(=O)cc(CN3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1Cl ZINC000089283006 570439304 /nfs/dbraw/zinc/43/93/04/570439304.db2.gz IMXDYQFKMPCBCM-MRXNPFEDSA-N 1 0 376.884 2.915 50 0 GFAARO CNC(=O)C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000028903473 570466293 /nfs/dbraw/zinc/46/62/93/570466293.db2.gz PBJVUVKIWAEADA-FQEVSTJZSA-N 1 0 385.533 2.802 50 0 GFAARO O=C(NC1CCCC1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035876747 570469733 /nfs/dbraw/zinc/46/97/33/570469733.db2.gz AMLALXPVGJLMPH-MYKUNDNFSA-N 1 0 383.536 2.682 50 0 GFAARO C[NH+](C)CCCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000006623787 570507969 /nfs/dbraw/zinc/50/79/69/570507969.db2.gz LTPCSBXTNGSSIF-UHFFFAOYSA-N 1 0 380.444 2.907 50 0 GFAARO CC[NH+](CC)C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C ZINC000002781175 570516157 /nfs/dbraw/zinc/51/61/57/570516157.db2.gz TXVHCACYJLHXBL-VIFPVBQESA-N 1 0 399.255 2.819 50 0 GFAARO O=C(CCCn1cncn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012055215 570602137 /nfs/dbraw/zinc/60/21/37/570602137.db2.gz RLNOJQGGQHWGEF-NRFANRHFSA-N 1 0 385.487 2.712 50 0 GFAARO c1cnc(Oc2ccc(C[NH2+]Cc3cccnc3N3CCOCC3)cc2)nc1 ZINC000012386952 570651872 /nfs/dbraw/zinc/65/18/72/570651872.db2.gz KOCBZYJQHXOQLR-UHFFFAOYSA-N 1 0 377.448 2.790 50 0 GFAARO COCCOC1CC[NH+](C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000048428326 570658274 /nfs/dbraw/zinc/65/82/74/570658274.db2.gz YBXZTEYGYZQGOC-UHFFFAOYSA-N 1 0 384.524 2.969 50 0 GFAARO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 ZINC000033040120 570679228 /nfs/dbraw/zinc/67/92/28/570679228.db2.gz RCOQHIZVXGVCFI-KBXCAEBGSA-N 1 0 375.494 2.710 50 0 GFAARO O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012594361 570688827 /nfs/dbraw/zinc/68/88/27/570688827.db2.gz XREUYGJKRYHPKR-ZDUSSCGKSA-N 1 0 379.819 2.966 50 0 GFAARO Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000012704290 570699921 /nfs/dbraw/zinc/69/99/21/570699921.db2.gz JKKIOFNINFKYIQ-NRFANRHFSA-N 1 0 397.563 2.767 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1csnn1 ZINC000012759445 570710623 /nfs/dbraw/zinc/71/06/23/570710623.db2.gz YWJMCZXEGRNPRX-QGZVFWFLSA-N 1 0 388.537 2.964 50 0 GFAARO CC(=O)c1cc(CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cs1 ZINC000015078387 570725104 /nfs/dbraw/zinc/72/51/04/570725104.db2.gz WIVZLRWFEROZAD-UHFFFAOYSA-N 1 0 389.565 2.906 50 0 GFAARO CCN(CC)CC[NH2+]C[C@@H](O)CN1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000022033694 570778509 /nfs/dbraw/zinc/77/85/09/570778509.db2.gz WIWRJIZZYKIADD-XXBNENTESA-N 1 0 398.595 2.935 50 0 GFAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000170085059 570803982 /nfs/dbraw/zinc/80/39/82/570803982.db2.gz XWFUAFXVIYPJLR-OALUTQOASA-N 1 0 390.553 2.946 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000033129324 570819831 /nfs/dbraw/zinc/81/98/31/570819831.db2.gz RAUCVSJJCDRXNS-UHFFFAOYSA-N 1 0 399.466 2.935 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014531821 570847708 /nfs/dbraw/zinc/84/77/08/570847708.db2.gz MGZPVTDQIAEMKT-GOSISDBHSA-N 1 0 378.520 2.753 50 0 GFAARO CC(C)OCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014531594 570847766 /nfs/dbraw/zinc/84/77/66/570847766.db2.gz VSTDNIXWEADEOI-SFHVURJKSA-N 1 0 384.524 2.564 50 0 GFAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000014748701 570858801 /nfs/dbraw/zinc/85/88/01/570858801.db2.gz CJHBOBGFBJLGOJ-KRWDZBQOSA-N 1 0 378.476 2.726 50 0 GFAARO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000170609560 570865951 /nfs/dbraw/zinc/86/59/51/570865951.db2.gz PXQNPBGOKLNHQK-QGZVFWFLSA-N 1 0 378.480 2.968 50 0 GFAARO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCCO)n2)c(OC)c1OC ZINC000015065182 570875656 /nfs/dbraw/zinc/87/56/56/570875656.db2.gz VJQFWGOGRDPCFK-CQSZACIVSA-N 1 0 391.468 2.889 50 0 GFAARO CCSc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](NC(=O)CC)C[C@H]23)cn1 ZINC000534657480 570915887 /nfs/dbraw/zinc/91/58/87/570915887.db2.gz VLLCYXNLTZGJQY-JTDSTZFVSA-N 1 0 378.542 2.627 50 0 GFAARO Cc1cc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2)c(=O)[nH]c1C ZINC000534671685 570920837 /nfs/dbraw/zinc/92/08/37/570920837.db2.gz RUZRBUKJMFIUCP-PMACEKPBSA-N 1 0 381.476 2.664 50 0 GFAARO COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CC3)CC2)[NH+]2CCCC2)cc1 ZINC000046868332 570934960 /nfs/dbraw/zinc/93/49/60/570934960.db2.gz NCVRKZOTZSBCHI-OAQYLSRUSA-N 1 0 399.535 2.597 50 0 GFAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN(Cc2ccccc2CO)CC1 ZINC000019300669 570974131 /nfs/dbraw/zinc/97/41/31/570974131.db2.gz FQOWYEFMLIEEMZ-GOSISDBHSA-N 1 0 385.533 2.623 50 0 GFAARO O=C(O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000108156228 570984507 /nfs/dbraw/zinc/98/45/07/570984507.db2.gz IEXBWZNGUJCOKE-VXKWHMMOSA-N 1 0 396.531 2.941 50 0 GFAARO CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC000091305882 571002702 /nfs/dbraw/zinc/00/27/02/571002702.db2.gz AOSUPTHAPKWPHI-CQSZACIVSA-N 1 0 375.538 2.647 50 0 GFAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)CCC1=O ZINC000091412517 571006458 /nfs/dbraw/zinc/00/64/58/571006458.db2.gz CIRWXIUWBGISPS-HXUWFJFHSA-N 1 0 388.537 2.989 50 0 GFAARO Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C2=O ZINC000084207867 571009561 /nfs/dbraw/zinc/00/95/61/571009561.db2.gz XUMGEKJXOYCOIR-LIRRHRJNSA-N 1 0 397.450 2.538 50 0 GFAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1 ZINC000091548269 571013568 /nfs/dbraw/zinc/01/35/68/571013568.db2.gz LGRQFVHHTYEBMB-ONEGZZNKSA-N 1 0 380.492 2.827 50 0 GFAARO Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091656240 571023275 /nfs/dbraw/zinc/02/32/75/571023275.db2.gz GUSMBYKANPMJGL-CYGHRXIMSA-N 1 0 378.513 2.501 50 0 GFAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)nc1 ZINC000091747112 571029418 /nfs/dbraw/zinc/02/94/18/571029418.db2.gz TVGLVXCSLJGUMN-UHFFFAOYSA-N 1 0 381.524 2.814 50 0 GFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000084771261 571036580 /nfs/dbraw/zinc/03/65/80/571036580.db2.gz QWKQBHSLAPADMQ-UHFFFAOYSA-N 1 0 388.961 2.940 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)c3ccncc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095367232 571058828 /nfs/dbraw/zinc/05/88/28/571058828.db2.gz ZADHZHNCDKGQCA-CEWLAPEOSA-N 1 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ZINC000095500758 571076239 /nfs/dbraw/zinc/07/62/39/571076239.db2.gz DHWARMUQMMIYMN-OAHLLOKOSA-N 1 0 376.547 2.906 50 0 GFAARO CC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@H]1c1ccc(C)o1 ZINC000095500673 571076422 /nfs/dbraw/zinc/07/64/22/571076422.db2.gz PXZGDJXRBULLBL-NHCUHLMSSA-N 1 0 378.476 2.937 50 0 GFAARO CC[C@@H](C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C)n1cccn1 ZINC000095504831 571078165 /nfs/dbraw/zinc/07/81/65/571078165.db2.gz RLDALYMQBFLTIM-SFHVURJKSA-N 1 0 384.528 2.589 50 0 GFAARO CCn1ncc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)c1C ZINC000095505768 571078638 /nfs/dbraw/zinc/07/86/38/571078638.db2.gz BLFAIVJMADPRRH-UHFFFAOYSA-N 1 0 384.528 2.580 50 0 GFAARO Cc1c(CC(=O)N2CC[C@H]([NH3+])C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000095507826 571079882 /nfs/dbraw/zinc/07/98/82/571079882.db2.gz QTNMRRSXDYAMML-KRWDZBQOSA-N 1 0 383.467 2.605 50 0 GFAARO COc1ccc(C(=O)NCc2[nH]cnc2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095516781 571084332 /nfs/dbraw/zinc/08/43/32/571084332.db2.gz AYAOUEDGPKHUIP-UHFFFAOYSA-N 1 0 386.496 2.908 50 0 GFAARO COc1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)cc1C ZINC000095517822 571084621 /nfs/dbraw/zinc/08/46/21/571084621.db2.gz XEDNAJQISDWHLY-LJQANCHMSA-N 1 0 399.535 2.553 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1nc[nH]n1 ZINC000095524021 571089644 /nfs/dbraw/zinc/08/96/44/571089644.db2.gz CZMDFEWSGJNQDL-OAHLLOKOSA-N 1 0 395.429 2.850 50 0 GFAARO CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC[NH2+]1 ZINC000095525293 571090021 /nfs/dbraw/zinc/09/00/21/571090021.db2.gz GMYJURCHRZXDFB-LJQANCHMSA-N 1 0 380.492 2.875 50 0 GFAARO OCC[C@@H]1C[N@@H+](C2CSCCSC2)CCN1Cc1ccc(F)c(F)c1 ZINC000023479026 654538622 /nfs/dbraw/zinc/53/86/22/654538622.db2.gz JAMNZPRJHHIYTB-OAHLLOKOSA-N 1 0 388.549 2.682 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000095376631 655028994 /nfs/dbraw/zinc/02/89/94/655028994.db2.gz IJGHFKINKZVCBF-GFCCVEGCSA-N 1 0 398.301 2.851 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC([NH3+])CC3)cc2Br)no1 ZINC000408519246 231049225 /nfs/dbraw/zinc/04/92/25/231049225.db2.gz DVUQVZLTXZIGKT-UHFFFAOYSA-N 1 0 394.269 2.888 50 0 GFAARO Cc1nc(CC2CCN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000426387013 231211819 /nfs/dbraw/zinc/21/18/19/231211819.db2.gz ZRDZTFRIQLGUPN-IBGZPJMESA-N 1 0 383.496 2.617 50 0 GFAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000426613037 231246471 /nfs/dbraw/zinc/24/64/71/231246471.db2.gz ZKMISTDRZYMJFU-FQEVSTJZSA-N 1 0 392.503 2.567 50 0 GFAARO Cn1cc(CNC(=O)c2cccc(-c3ccccc3OCC[NH+](C)C)c2)cn1 ZINC000426722413 231255547 /nfs/dbraw/zinc/25/55/47/231255547.db2.gz IYJILDKHKNOLLZ-UHFFFAOYSA-N 1 0 378.476 2.958 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC([NH3+])CC4)csc3C2)nc1 ZINC000426523740 529643548 /nfs/dbraw/zinc/64/35/48/529643548.db2.gz WGYLSJPOGURCQK-UHFFFAOYSA-N 1 0 384.549 2.827 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426584136 529644307 /nfs/dbraw/zinc/64/43/07/529644307.db2.gz VHQFAQMYGAZMHX-CVEARBPZSA-N 1 0 384.549 2.873 50 0 GFAARO CCOC(=O)CC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004001989 204023264 /nfs/dbraw/zinc/02/32/64/204023264.db2.gz FZPQOEYSYCUPKR-UHFFFAOYSA-N 1 0 378.782 2.806 50 0 GFAARO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC000004711004 204068130 /nfs/dbraw/zinc/06/81/30/204068130.db2.gz YMHXVXJDEKHWCK-NRFANRHFSA-N 1 0 385.552 2.624 50 0 GFAARO Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[NH+]4CCCCCC4)c3c2c1 ZINC000004961748 204097617 /nfs/dbraw/zinc/09/76/17/204097617.db2.gz QCCYJTXVMUQJKJ-UHFFFAOYSA-N 1 0 396.491 2.833 50 0 GFAARO CCOc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OC ZINC000004993778 204101572 /nfs/dbraw/zinc/10/15/72/204101572.db2.gz YGZLGUSATQSVHV-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1 ZINC000006700812 204193554 /nfs/dbraw/zinc/19/35/54/204193554.db2.gz ZRGIOAIGPSSCOW-UHFFFAOYSA-N 1 0 397.475 2.876 50 0 GFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009502518 204314244 /nfs/dbraw/zinc/31/42/44/204314244.db2.gz CIUIXYFZMUAHBL-QGZVFWFLSA-N 1 0 385.464 2.678 50 0 GFAARO COCCNC(=O)c1c(C)n([C@@H]2CCC[N@@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704514 204324459 /nfs/dbraw/zinc/32/44/59/204324459.db2.gz CKKIDAPKGZIMNW-CYBMUJFWSA-N 1 0 376.423 2.632 50 0 GFAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)c1C ZINC000010219115 204331280 /nfs/dbraw/zinc/33/12/80/204331280.db2.gz YHSBAFSUWMUUPP-KRWDZBQOSA-N 1 0 387.480 2.850 50 0 GFAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCC(O)CC1 ZINC000011753463 204352602 /nfs/dbraw/zinc/35/26/02/204352602.db2.gz XQJMNDMCNGIQQT-UHFFFAOYSA-N 1 0 395.503 2.722 50 0 GFAARO COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)C2(C)CC2)CCO3)CC1 ZINC000011787659 204352620 /nfs/dbraw/zinc/35/26/20/204352620.db2.gz QXCCJRIAEFSBKI-UHFFFAOYSA-N 1 0 386.492 2.593 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1 ZINC000011873913 204358450 /nfs/dbraw/zinc/35/84/50/204358450.db2.gz NVOZGORXYMVRBL-ZDUSSCGKSA-N 1 0 376.482 2.534 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n(CCOC)c1CC1CCCC1 ZINC000011870357 204359472 /nfs/dbraw/zinc/35/94/72/204359472.db2.gz IPYRBMUHNWIGME-UHFFFAOYSA-N 1 0 391.556 2.607 50 0 GFAARO COc1ccccc1C[N@@H+]1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000011882237 204360366 /nfs/dbraw/zinc/36/03/66/204360366.db2.gz RZGOGROBQUOKIY-SFHVURJKSA-N 1 0 383.496 2.624 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1 ZINC000011936681 204365218 /nfs/dbraw/zinc/36/52/18/204365218.db2.gz FSKAZFJMDYPRMU-HXUWFJFHSA-N 1 0 384.524 2.695 50 0 GFAARO COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012308253 204392720 /nfs/dbraw/zinc/39/27/20/204392720.db2.gz MJOMBSJAEKJEFA-JTAQYXEDSA-N 1 0 391.471 2.806 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccco2)CC1 ZINC000012718240 204437554 /nfs/dbraw/zinc/43/75/54/204437554.db2.gz WYZXFMQPOLOHHO-UHFFFAOYSA-N 1 0 388.464 2.708 50 0 GFAARO CN1c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938587 204770314 /nfs/dbraw/zinc/77/03/14/204770314.db2.gz VPZICWCJZXULOB-IBGZPJMESA-N 1 0 384.524 2.628 50 0 GFAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccco2)CC1 ZINC000036341535 205011152 /nfs/dbraw/zinc/01/11/52/205011152.db2.gz IVQZRQCLFOIAGY-IBGZPJMESA-N 1 0 384.455 2.734 50 0 GFAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000036394801 205016160 /nfs/dbraw/zinc/01/61/60/205016160.db2.gz UOOWVOLJJAHTFF-UHFFFAOYSA-N 1 0 391.475 2.978 50 0 GFAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000040051404 205049089 /nfs/dbraw/zinc/04/90/89/205049089.db2.gz YXEGSHQRRDHKTP-LPHOPBHVSA-N 1 0 378.472 2.944 50 0 GFAARO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000040149571 205057937 /nfs/dbraw/zinc/05/79/37/205057937.db2.gz YNFLJPWBOCSBJZ-IBGZPJMESA-N 1 0 380.492 2.699 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355206 205062843 /nfs/dbraw/zinc/06/28/43/205062843.db2.gz PRLQSZOEWPCEIX-UHFFFAOYSA-N 1 0 376.457 2.750 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)CN1CCCCCC1=O)c1cccc(OC)c1 ZINC000042002060 205079156 /nfs/dbraw/zinc/07/91/56/205079156.db2.gz WTUPKHZXUWRTGJ-LJQANCHMSA-N 1 0 375.513 2.597 50 0 GFAARO CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C ZINC000043763896 205083666 /nfs/dbraw/zinc/08/36/66/205083666.db2.gz CNEVMNSDRMDKFO-KZNAEPCWSA-N 1 0 390.597 2.794 50 0 GFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCc2cccc(F)c2)CC1 ZINC000045608113 205096987 /nfs/dbraw/zinc/09/69/87/205096987.db2.gz DCXXSNGEAYGSOT-UHFFFAOYSA-N 1 0 384.499 2.963 50 0 GFAARO COc1cc(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047416285 205109645 /nfs/dbraw/zinc/10/96/45/205109645.db2.gz DZRLJRZKJYVCTD-HOTGVXAUSA-N 1 0 378.513 2.739 50 0 GFAARO CC(C)CN1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1=O ZINC000048325165 205120535 /nfs/dbraw/zinc/12/05/35/205120535.db2.gz SCECUTRLOFZYDQ-QGZVFWFLSA-N 1 0 391.943 2.925 50 0 GFAARO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-n2cccn2)cc1)C(F)(F)F ZINC000048366183 205121188 /nfs/dbraw/zinc/12/11/88/205121188.db2.gz XBZKUCVRYALSAF-KRWDZBQOSA-N 1 0 379.386 2.536 50 0 GFAARO C[C@@H]1C[NH+](Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 ZINC000048374674 205122988 /nfs/dbraw/zinc/12/29/88/205122988.db2.gz CQYUHNDCLJUTLO-HUUCEWRRSA-N 1 0 380.535 2.836 50 0 GFAARO COc1ccc(CCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000053237117 205134439 /nfs/dbraw/zinc/13/44/39/205134439.db2.gz BRSKEGHOLQYOLR-UHFFFAOYSA-N 1 0 399.510 2.831 50 0 GFAARO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CSC(F)(F)F)c2)CC1 ZINC000053996945 205140326 /nfs/dbraw/zinc/14/03/26/205140326.db2.gz ZSLIZRUNNKSPNR-UHFFFAOYSA-N 1 0 375.416 2.575 50 0 GFAARO COc1ccccc1NC(=O)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055414282 205148644 /nfs/dbraw/zinc/14/86/44/205148644.db2.gz YMCPLNSRJCQOJF-INIZCTEOSA-N 1 0 385.464 2.645 50 0 GFAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000058172235 205166818 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GFAARO COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000067621945 205250550 /nfs/dbraw/zinc/25/05/50/205250550.db2.gz ICEZWKRPIZWNNC-UHFFFAOYSA-N 1 0 384.484 2.522 50 0 GFAARO CCNc1nc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)cc(C)[nH+]1 ZINC000067613330 205250863 /nfs/dbraw/zinc/25/08/63/205250863.db2.gz MJMHSBSHEXVHOO-UHFFFAOYSA-N 1 0 384.484 2.888 50 0 GFAARO CCNc1nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc(C)[nH+]1 ZINC000067603886 205251134 /nfs/dbraw/zinc/25/11/34/205251134.db2.gz COTISQSCCJBRFK-UHFFFAOYSA-N 1 0 378.480 2.589 50 0 GFAARO O=C(CCCc1nc(-c2ccncc2)no1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067834011 205263011 /nfs/dbraw/zinc/26/30/11/205263011.db2.gz IAXOMSSWVKHJSM-UHFFFAOYSA-N 1 0 383.496 2.837 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3cccc4[nH]ccc43)cnn2c1 ZINC000067867147 205263860 /nfs/dbraw/zinc/26/38/60/205263860.db2.gz AZTBTDSGDSWHFV-UHFFFAOYSA-N 1 0 376.464 2.982 50 0 GFAARO O=C1N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067909055 205266778 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2.976 50 0 GFAARO C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CCCOC2)Cc2ccccc2C1 ZINC000072138660 205309265 /nfs/dbraw/zinc/30/92/65/205309265.db2.gz VTYJLNILFBVLFZ-QFIPXVFZSA-N 1 0 378.516 2.994 50 0 GFAARO COCCn1cncc1C[N@@H+]1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072152531 205312772 /nfs/dbraw/zinc/31/27/72/205312772.db2.gz HUVKLUHPJFZYGJ-DNVJHFABSA-N 1 0 380.536 2.900 50 0 GFAARO O=C(Nc1ccc(F)cc1)[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC[NH2+]1 ZINC000072158355 205313136 /nfs/dbraw/zinc/31/31/36/205313136.db2.gz FPZUWOCCTCSVDV-INIZCTEOSA-N 1 0 383.254 2.940 50 0 GFAARO CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000072151870 205313915 /nfs/dbraw/zinc/31/39/15/205313915.db2.gz GVXHCKDHKUOPJP-OAQYLSRUSA-N 1 0 375.488 2.509 50 0 GFAARO COc1cc(SC)c(OC)cc1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072431116 205351127 /nfs/dbraw/zinc/35/11/27/205351127.db2.gz JRHRMQCCHVRKEJ-QGZVFWFLSA-N 1 0 380.554 2.847 50 0 GFAARO CC(C)CCN1CC2(CCN(C(=O)CC[C@@H]3CCC[N@H+](C)C3)CC2)OC1=O ZINC000077340979 205359503 /nfs/dbraw/zinc/35/95/03/205359503.db2.gz JNGUMHAQZUMZCF-SFHVURJKSA-N 1 0 379.545 2.968 50 0 GFAARO CC(C)CNC(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077378349 205361194 /nfs/dbraw/zinc/36/11/94/205361194.db2.gz JPZUHNFHGBHRNX-HSZRJFAPSA-N 1 0 385.552 2.706 50 0 GFAARO c1ccc(-c2nc3c(c(NC[C@@H]4OCCc5ccccc54)n2)CC[NH2+]CC3)nc1 ZINC000072419241 205347601 /nfs/dbraw/zinc/34/76/01/205347601.db2.gz XGSLOWKHMXUBGQ-NRFANRHFSA-N 1 0 387.487 2.953 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000072426187 205349006 /nfs/dbraw/zinc/34/90/06/205349006.db2.gz OTVSSJFVTOXSAI-IBGZPJMESA-N 1 0 375.561 2.797 50 0 GFAARO O=C(Cc1ccc(O)cc1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082137676 205386640 /nfs/dbraw/zinc/38/66/40/205386640.db2.gz SQQURUPQOYJSQW-UHFFFAOYSA-N 1 0 382.508 2.986 50 0 GFAARO C[C@@H](C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082120225 205387050 /nfs/dbraw/zinc/38/70/50/205387050.db2.gz ULBLEVAMUJESPA-IBGZPJMESA-N 1 0 384.568 2.775 50 0 GFAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082166742 205388997 /nfs/dbraw/zinc/38/89/97/205388997.db2.gz BFSCOQNCEVDBQY-RQZCQDPDSA-N 1 0 380.558 2.831 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000096153596 205535738 /nfs/dbraw/zinc/53/57/38/205535738.db2.gz RPMGFWCMJCNTJH-UHFFFAOYSA-N 1 0 375.561 2.797 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000237059434 205663097 /nfs/dbraw/zinc/66/30/97/205663097.db2.gz GEYDXEAHZFLPAW-LLVKDONJSA-N 1 0 378.270 2.775 50 0 GFAARO CC(=O)N[C@H](CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000252528053 206141399 /nfs/dbraw/zinc/14/13/99/206141399.db2.gz DZCRISVAEFNDDJ-HNAYVOBHSA-N 1 0 395.931 2.524 50 0 GFAARO Cc1nn(C)c2ncc(C(=O)N[C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000252535714 206141981 /nfs/dbraw/zinc/14/19/81/206141981.db2.gz GRALOZNBSAJZSJ-CRAIPNDOSA-N 1 0 377.492 2.917 50 0 GFAARO CC(=O)N[C@@H](CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000252528054 206142007 /nfs/dbraw/zinc/14/20/07/206142007.db2.gz DZCRISVAEFNDDJ-KXBFYZLASA-N 1 0 395.931 2.524 50 0 GFAARO COCc1nc(NCCCn2nc(C)c(Cl)c2C)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000252572235 206144770 /nfs/dbraw/zinc/14/47/70/206144770.db2.gz ZAGVFEFVDTYJNE-HDJSIYSDSA-N 1 0 378.908 2.797 50 0 GFAARO CSc1nn2c(nc(C[N@H+](C)[C@H](C)Cc3ncccc3C)cc2=O)s1 ZINC000244795040 206130434 /nfs/dbraw/zinc/13/04/34/206130434.db2.gz QYNRWQCSUCUCSM-GFCCVEGCSA-N 1 0 375.523 2.639 50 0 GFAARO O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000252572249 206145418 /nfs/dbraw/zinc/14/54/18/206145418.db2.gz ZAXWSTXOOSFYJG-HHXXYDBFSA-N 1 0 378.538 2.567 50 0 GFAARO OCC[NH2+]CCCNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491670 206183584 /nfs/dbraw/zinc/18/35/84/206183584.db2.gz BUQIWMQFHVWTRP-UHFFFAOYSA-N 1 0 399.926 2.708 50 0 GFAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCCN(c2ncccn2)CC1 ZINC000299758849 206186866 /nfs/dbraw/zinc/18/68/66/206186866.db2.gz 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CC[NH+]1CCC(N2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)CC1 ZINC000020854723 570282359 /nfs/dbraw/zinc/28/23/59/570282359.db2.gz MQRZJFRNHFRCFZ-VQTJNVASSA-N 1 0 375.488 2.748 50 0 GFAARO CN(Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)o1)S(C)(=O)=O ZINC000106973143 570307690 /nfs/dbraw/zinc/30/76/90/570307690.db2.gz PVDADBNMNOQAMO-QGZVFWFLSA-N 1 0 390.505 2.766 50 0 GFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000022936346 570338655 /nfs/dbraw/zinc/33/86/55/570338655.db2.gz FNYWEXWRWUEYPN-QGZVFWFLSA-N 1 0 377.529 2.563 50 0 GFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000237366611 570346368 /nfs/dbraw/zinc/34/63/68/570346368.db2.gz IDEJKXWVEHUESO-APWZRJJASA-N 1 0 386.517 2.860 50 0 GFAARO O=S1(=O)C=C[C@H]([NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)C1 ZINC000023430319 570362544 /nfs/dbraw/zinc/36/25/44/570362544.db2.gz LBUAWMHIVZUEQQ-INIZCTEOSA-N 1 0 375.519 2.679 50 0 GFAARO Cn1c2ccccc2n(CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1=O ZINC000023742199 570371318 /nfs/dbraw/zinc/37/13/18/570371318.db2.gz WZHOLZAYFNTFNS-OAQYLSRUSA-N 1 0 392.503 2.683 50 0 GFAARO COc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(OC)cc2)C(=O)N3)cc1 ZINC000009526765 570374600 /nfs/dbraw/zinc/37/46/00/570374600.db2.gz OZSGBRZVYJKEOD-UHFFFAOYSA-N 1 0 379.460 2.615 50 0 GFAARO C[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1 ZINC000024767373 570392511 /nfs/dbraw/zinc/39/25/11/570392511.db2.gz WGJPVIIJIAJIHN-OAHLLOKOSA-N 1 0 394.475 2.776 50 0 GFAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@H](C)O1 ZINC000024924274 570398445 /nfs/dbraw/zinc/39/84/45/570398445.db2.gz FUSHYTUXGOFIJZ-IYBDPMFKSA-N 1 0 385.464 2.761 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000033028213 570399559 /nfs/dbraw/zinc/39/95/59/570399559.db2.gz RLWLGKXRQRMDJF-UWJYYQICSA-N 1 0 382.460 2.788 50 0 GFAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc12 ZINC000025194725 570407921 /nfs/dbraw/zinc/40/79/21/570407921.db2.gz UVUCNMDDMARGTG-LJQANCHMSA-N 1 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Cc1ccc(-c2nc(CC(=O)N(C)CC3CC[NH+](C[C@H](C)O)CC3)cs2)o1 ZINC000176868690 570512180 /nfs/dbraw/zinc/51/21/80/570512180.db2.gz ITFGQMXRCCFGHX-AWEZNQCLSA-N 1 0 391.537 2.805 50 0 GFAARO O=C(COc1ccc2ccc(=O)oc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005304982 570550977 /nfs/dbraw/zinc/55/09/77/570550977.db2.gz MVCKXQFHISXNGD-UHFFFAOYSA-N 1 0 392.455 2.953 50 0 GFAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035421993 570552976 /nfs/dbraw/zinc/55/29/76/570552976.db2.gz PGFYFCUVGLQOBY-UHFFFAOYSA-N 1 0 385.430 2.770 50 0 GFAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1 ZINC000035421989 570553289 /nfs/dbraw/zinc/55/32/89/570553289.db2.gz XYBRFWBWCGWKNC-UHFFFAOYSA-N 1 0 396.329 2.513 50 0 GFAARO Cc1nc(Cc2ccccc2)nc2sc3c(ncn(CC[NH+](C)C)c3=O)c21 ZINC000012410001 570655765 /nfs/dbraw/zinc/65/57/65/570655765.db2.gz PPWVITGBGRDLSK-UHFFFAOYSA-N 1 0 379.489 2.862 50 0 GFAARO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000236607720 570657216 /nfs/dbraw/zinc/65/72/16/570657216.db2.gz UZWDEWYUDILDRD-SFHVURJKSA-N 1 0 392.931 2.857 50 0 GFAARO CC1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)COC1 ZINC000012459164 570670376 /nfs/dbraw/zinc/67/03/76/570670376.db2.gz KXJCJSJUKAEHGV-FQEVSTJZSA-N 1 0 385.552 2.516 50 0 GFAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3ccno3)nc21 ZINC000012443813 570677841 /nfs/dbraw/zinc/67/78/41/570677841.db2.gz DWJFOZRMLKBEEN-UHFFFAOYSA-N 1 0 390.465 2.900 50 0 GFAARO CC(C)n1cc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000055060456 570680631 /nfs/dbraw/zinc/68/06/31/570680631.db2.gz RGHWFGXLJCUAEN-GOSISDBHSA-N 1 0 384.528 2.894 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)C1 ZINC000015677466 570684821 /nfs/dbraw/zinc/68/48/21/570684821.db2.gz MNTZWHSUQJSUNI-IRXDYDNUSA-N 1 0 396.535 2.831 50 0 GFAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)CCc2cnn(C)c2)cc1 ZINC000012715931 570704500 /nfs/dbraw/zinc/70/45/00/570704500.db2.gz OHQWGNVUKLZPRI-UHFFFAOYSA-N 1 0 398.551 2.774 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnc(C)cn4)C3)C2)c1 ZINC000012745683 570708309 /nfs/dbraw/zinc/70/83/09/570708309.db2.gz HOSDDSJDXGUTCN-JOCHJYFZSA-N 1 0 380.492 2.922 50 0 GFAARO COc1ccccc1C1=NO[C@](C)(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000222283896 570709107 /nfs/dbraw/zinc/70/91/07/570709107.db2.gz GBQWSWCKMRPAKU-KNQAVFIVSA-N 1 0 381.476 2.997 50 0 GFAARO COc1ccc(OCc2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)no2)c(Cl)c1 ZINC000012752446 570709759 /nfs/dbraw/zinc/70/97/59/570709759.db2.gz YLEGGPYKMNXKCJ-GFCCVEGCSA-N 1 0 379.844 2.692 50 0 GFAARO CC1(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)CC2)CC1 ZINC000012756895 570710225 /nfs/dbraw/zinc/71/02/25/570710225.db2.gz YMRPUTGTEUUTLI-IBGZPJMESA-N 1 0 383.536 2.806 50 0 GFAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012836922 570723378 /nfs/dbraw/zinc/72/33/78/570723378.db2.gz LLYAJYOMNAKFFI-GOSISDBHSA-N 1 0 378.480 2.810 50 0 GFAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000012836577 570723510 /nfs/dbraw/zinc/72/35/10/570723510.db2.gz RNQDXFLZXCEVRT-JOCHJYFZSA-N 1 0 380.492 2.808 50 0 GFAARO CCC(CC)[NH+]1CCN(C(=O)CSc2ncccc2-c2noc(C)n2)CC1 ZINC000065211311 570730691 /nfs/dbraw/zinc/73/06/91/570730691.db2.gz SYNSJGFCNPOQAI-UHFFFAOYSA-N 1 0 389.525 2.865 50 0 GFAARO Cc1nc(-c2cccnc2SCC(=O)NCC[N@H+]2CCCC[C@@H]2C)no1 ZINC000065211183 570730824 /nfs/dbraw/zinc/73/08/24/570730824.db2.gz KJGRHGFETLJKFR-ZDUSSCGKSA-N 1 0 375.498 2.523 50 0 GFAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1O ZINC000012507762 570823607 /nfs/dbraw/zinc/82/36/07/570823607.db2.gz COWMOWYWFATZRB-GOSISDBHSA-N 1 0 379.420 2.616 50 0 GFAARO COc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1 ZINC000014533715 570848224 /nfs/dbraw/zinc/84/82/24/570848224.db2.gz LEKSIODLHVIVRJ-QGZVFWFLSA-N 1 0 384.524 2.897 50 0 GFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]Cc1ccncc1)C2 ZINC000014541810 570849012 /nfs/dbraw/zinc/84/90/12/570849012.db2.gz CXYLGAALRJCUQW-KRWDZBQOSA-N 1 0 393.466 2.531 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CCCn1ncc(C[NH+]2CCC3(CCC(=O)N(CCCOC)C3)CC2)c1C ZINC000091596119 571017163 /nfs/dbraw/zinc/01/71/63/571017163.db2.gz WKUYCIAORMBPNB-UHFFFAOYSA-N 1 0 376.545 2.843 50 0 GFAARO CCn1c2ccccc2n(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1=O ZINC000012777567 571031084 /nfs/dbraw/zinc/03/10/84/571031084.db2.gz XNOCNANQWWQHHJ-IBGZPJMESA-N 1 0 392.503 2.604 50 0 GFAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1snnc1C(C)C)CC2 ZINC000091849274 571033114 /nfs/dbraw/zinc/03/31/14/571033114.db2.gz YKVRALYHUVGPCM-UHFFFAOYSA-N 1 0 380.558 2.903 50 0 GFAARO COc1cc2c(cc1C(=O)N1CCC3(CC1)c1[nH]cnc1CC[N@H+]3C)CCC2 ZINC000091986005 571039102 /nfs/dbraw/zinc/03/91/02/571039102.db2.gz JFSAGXKNUOQSTI-UHFFFAOYSA-N 1 0 380.492 2.526 50 0 GFAARO CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+]1CCCC1 ZINC000015681890 571045347 /nfs/dbraw/zinc/04/53/47/571045347.db2.gz ACZQTHCHJMPOBB-UHFFFAOYSA-N 1 0 398.507 2.622 50 0 GFAARO COc1cccc([C@H]2CN(C(=O)Cc3cc(C)no3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095354242 571051322 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378.476 2.501 50 0 GFAARO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000095379964 571066738 /nfs/dbraw/zinc/06/67/38/571066738.db2.gz HUOGHZPLGCSVBW-WIYYLYMNSA-N 1 0 378.476 2.777 50 0 GFAARO O=C(CCN1CCCCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095382529 571068541 /nfs/dbraw/zinc/06/85/41/571068541.db2.gz FQHFQKLGSOZSPF-LEWJYISDSA-N 1 0 383.536 2.902 50 0 GFAARO Cc1oc(-c2ccccc2F)nc1CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000095382530 571068635 /nfs/dbraw/zinc/06/86/35/571068635.db2.gz LSYZAJKGVAXEEN-NRFANRHFSA-N 1 0 386.471 2.575 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(=O)c(OC)co2)C3)cc1 ZINC000095392844 571073644 /nfs/dbraw/zinc/07/36/44/571073644.db2.gz CONUAYNVJZINRW-ZWKOTPCHSA-N 1 0 384.476 2.753 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(=O)c2cccn2C)C1 ZINC000095496787 571074122 /nfs/dbraw/zinc/07/41/22/571074122.db2.gz PAZUQJBQCKNWMI-SFHVURJKSA-N 1 0 397.519 2.630 50 0 GFAARO COCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095508674 571080324 /nfs/dbraw/zinc/08/03/24/571080324.db2.gz KJJZXTYVXMVRLO-JOCHJYFZSA-N 1 0 386.536 2.520 50 0 GFAARO Cc1cccc(-c2cccc(NC(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000095516451 571083770 /nfs/dbraw/zinc/08/37/70/571083770.db2.gz QXZHJZOCRHJXCV-IBGZPJMESA-N 1 0 380.492 2.981 50 0 GFAARO Cc1nccn1[C@@H](C)C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095519147 571085708 /nfs/dbraw/zinc/08/57/08/571085708.db2.gz GBZCSQRPPFCURN-INIZCTEOSA-N 1 0 384.528 2.508 50 0 GFAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2scnc2C)CC1 ZINC000095526234 571090579 /nfs/dbraw/zinc/09/05/79/571090579.db2.gz SRTUJKDVUXIQCR-UHFFFAOYSA-N 1 0 388.537 2.847 50 0 GFAARO CCOC(=O)N1CCC([N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](N(C)C)C2)CC1 ZINC000095526202 571090801 /nfs/dbraw/zinc/09/08/01/571090801.db2.gz QQVAPGXLQFGWTC-VQTJNVASSA-N 1 0 375.513 2.646 50 0 GFAARO COc1ccc(CN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095528350 571091957 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Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccn2)cc1OCC[NH3+] ZINC000426490744 231228285 /nfs/dbraw/zinc/22/82/85/231228285.db2.gz RMIDBZJHGLGZSW-OAQYLSRUSA-N 1 0 376.460 2.774 50 0 GFAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426597352 231245138 /nfs/dbraw/zinc/24/51/38/231245138.db2.gz DJTOJNMVVYTWHJ-LJQANCHMSA-N 1 0 382.512 2.537 50 0 GFAARO O=C(NCC(c1ccccc1)c1ccccc1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000426635743 231247992 /nfs/dbraw/zinc/24/79/92/231247992.db2.gz YLNDTXQVEVRZIH-VXKWHMMOSA-N 1 0 379.504 2.669 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)NC4CC[NH2+]CC4)csc3C2)nc1 ZINC000426508105 529643651 /nfs/dbraw/zinc/64/36/51/529643651.db2.gz PHNMEKJJYIZFTJ-UHFFFAOYSA-N 1 0 384.549 2.746 50 0 GFAARO CN(CC1(CO)CCOCC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426536594 529854627 /nfs/dbraw/zinc/85/46/27/529854627.db2.gz ZMXWSYJKNFIJAV-HXUWFJFHSA-N 1 0 389.540 2.644 50 0 GFAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C1 ZINC000133503112 209112526 /nfs/dbraw/zinc/11/25/26/209112526.db2.gz QLGHVGHYVFVDEM-AWEZNQCLSA-N 1 0 377.286 2.767 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)n(C)n4)C3)C2)c1 ZINC000011839638 206226726 /nfs/dbraw/zinc/22/67/26/206226726.db2.gz KQZCRFFOXNXROP-QFIPXVFZSA-N 1 0 382.508 2.865 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000253413024 206282862 /nfs/dbraw/zinc/28/28/62/206282862.db2.gz SUGLCWZRPYGOGR-GPQLQYNLSA-N 1 0 383.536 2.929 50 0 GFAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCCC1 ZINC000002252765 206404545 /nfs/dbraw/zinc/40/45/45/206404545.db2.gz WVPIEICJOGDZCL-UHFFFAOYSA-N 1 0 389.452 2.786 50 0 GFAARO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000007015583 206700769 /nfs/dbraw/zinc/70/07/69/206700769.db2.gz KWJXCYJYZRCLLJ-CONPEVPGSA-N 1 0 389.492 2.780 50 0 GFAARO COc1ccc(Cn2cc(C(=O)N(C)C3CC(C)(C)[NH2+]C(C)(C)C3)nn2)cc1 ZINC000012708545 206925380 /nfs/dbraw/zinc/92/53/80/206925380.db2.gz GSICQCMBEOGIES-UHFFFAOYSA-N 1 0 385.512 2.716 50 0 GFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CCOC(C)C)CC2 ZINC000014531970 207022413 /nfs/dbraw/zinc/02/24/13/207022413.db2.gz SZZQGHBYIXFYJR-KRWDZBQOSA-N 1 0 376.545 2.695 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014535206 207022825 /nfs/dbraw/zinc/02/28/25/207022825.db2.gz WDZYXUQUVUKIIO-QGZVFWFLSA-N 1 0 384.499 2.968 50 0 GFAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014536964 207022957 /nfs/dbraw/zinc/02/29/57/207022957.db2.gz PDNIGRBDGKBXFG-UHFFFAOYSA-N 1 0 399.535 2.555 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014535205 207023796 /nfs/dbraw/zinc/02/37/96/207023796.db2.gz WDZYXUQUVUKIIO-KRWDZBQOSA-N 1 0 384.499 2.968 50 0 GFAARO CCOCCC[NH2+][C@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 ZINC000014754689 207029148 /nfs/dbraw/zinc/02/91/48/207029148.db2.gz FMKPOIIFSWGJEC-KRWDZBQOSA-N 1 0 376.545 2.697 50 0 GFAARO CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000014986524 207039541 /nfs/dbraw/zinc/03/95/41/207039541.db2.gz SMZNZZUZBFLYMW-GOSISDBHSA-N 1 0 391.487 2.917 50 0 GFAARO O=C1c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000015000925 207040623 /nfs/dbraw/zinc/04/06/23/207040623.db2.gz OTERZWCLUZOQHT-QGZVFWFLSA-N 1 0 383.492 2.526 50 0 GFAARO COc1cc(C(=O)N[C@@H]2CCOC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015074079 207044965 /nfs/dbraw/zinc/04/49/65/207044965.db2.gz XVHXMSUQBQVIQN-QGZVFWFLSA-N 1 0 388.508 3.000 50 0 GFAARO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCCO)n2)c(OC)c1OC ZINC000015065183 207042687 /nfs/dbraw/zinc/04/26/87/207042687.db2.gz VJQFWGOGRDPCFK-AWEZNQCLSA-N 1 0 391.468 2.889 50 0 GFAARO O=C(CCCn1cncn1)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015074034 207043855 /nfs/dbraw/zinc/04/38/55/207043855.db2.gz JQHJQBMVQKCVMV-QFIPXVFZSA-N 1 0 395.551 2.862 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)C3CCCCC3)C2=O)c1 ZINC000015072781 207044084 /nfs/dbraw/zinc/04/40/84/207044084.db2.gz IRCNICSMXYHJTC-OAQYLSRUSA-N 1 0 378.488 2.952 50 0 GFAARO CC(=O)Nc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000019221110 207108213 /nfs/dbraw/zinc/10/82/13/207108213.db2.gz DTEXRXDZTXQYBR-QHCPKHFHSA-N 1 0 381.520 2.756 50 0 GFAARO CC[NH+]1CCN(C[C@H](O)CN2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706627 207150966 /nfs/dbraw/zinc/15/09/66/207150966.db2.gz HFDBNPIDCZKBSN-CVDCTZTESA-N 1 0 396.579 2.641 50 0 GFAARO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CC[NH2+]CC2)CCC3)cc1 ZINC000019871526 207168918 /nfs/dbraw/zinc/16/89/18/207168918.db2.gz IKPJEYYNSZXJRG-UHFFFAOYSA-N 1 0 398.532 2.641 50 0 GFAARO COc1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(OC)c1OC ZINC000019888860 207168618 /nfs/dbraw/zinc/16/86/18/207168618.db2.gz XSGXJXLAXIQGNN-HOTGVXAUSA-N 1 0 378.513 2.786 50 0 GFAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2nc3cc(F)ccc3[nH]2)C[C@H]1CO ZINC000020535369 207201221 /nfs/dbraw/zinc/20/12/21/207201221.db2.gz KAGIQIWZTXEMMZ-VWVPQACVSA-N 1 0 386.446 2.985 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020851916 207216997 /nfs/dbraw/zinc/21/69/97/207216997.db2.gz CIJUYYSLMFYMSZ-UHFFFAOYSA-N 1 0 391.475 2.679 50 0 GFAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020911360 207218788 /nfs/dbraw/zinc/21/87/88/207218788.db2.gz OHGNPESXKXIDAV-INIZCTEOSA-N 1 0 379.464 2.729 50 0 GFAARO C[N@H+](Cc1ccccc1)[C@@H]1c2ccccc2C2(CC[NH+](CC(=O)[O-])CC2)[C@H]1O ZINC000020909267 207219113 /nfs/dbraw/zinc/21/91/13/207219113.db2.gz RXDTYAOWUJRDJM-YADHBBJMSA-N 1 0 380.488 2.652 50 0 GFAARO CCOC(=O)c1ccc(NC(=O)C2=C(C)C(=O)OC23CC[NH+](CC)CC3)cc1 ZINC000021868552 207239100 /nfs/dbraw/zinc/23/91/00/207239100.db2.gz IPMQALIKFWBVMD-UHFFFAOYSA-N 1 0 386.448 2.530 50 0 GFAARO COc1cccc(C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)c1 ZINC000023248864 207272033 /nfs/dbraw/zinc/27/20/33/207272033.db2.gz QZVCGHUOFYLDRJ-FQEVSTJZSA-N 1 0 386.492 2.876 50 0 GFAARO O=C1C2=C(CCCC2)[C@@H]([NH2+]CCCN2CCOCC2)N1Cc1ccc(F)cc1 ZINC000023343328 207274541 /nfs/dbraw/zinc/27/45/41/207274541.db2.gz JHQLTXZAVIYHNH-NRFANRHFSA-N 1 0 387.499 2.677 50 0 GFAARO Oc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000025764683 207306245 /nfs/dbraw/zinc/30/62/45/207306245.db2.gz UDQSIDALVXCDSR-LJQANCHMSA-N 1 0 376.884 2.745 50 0 GFAARO CCC[NH+]1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000025664159 207306406 /nfs/dbraw/zinc/30/64/06/207306406.db2.gz SEPRCKIJXKNJLI-UHFFFAOYSA-N 1 0 389.521 2.924 50 0 GFAARO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000027365919 207324156 /nfs/dbraw/zinc/32/41/56/207324156.db2.gz ILQSQZZAWNBJSJ-MRXNPFEDSA-N 1 0 391.523 2.552 50 0 GFAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000012715718 207328629 /nfs/dbraw/zinc/32/86/29/207328629.db2.gz UNNZIQHYSYMSOE-JOCHJYFZSA-N 1 0 380.492 2.808 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000027587524 207328782 /nfs/dbraw/zinc/32/87/82/207328782.db2.gz FUWBRGJWPIIYKN-QFBILLFUSA-N 1 0 383.517 2.779 50 0 GFAARO CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120077 207343357 /nfs/dbraw/zinc/34/33/57/207343357.db2.gz PNVFBOMEBWJGRZ-INIZCTEOSA-N 1 0 399.457 2.902 50 0 GFAARO CCOC(=O)C1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000029502307 207362728 /nfs/dbraw/zinc/36/27/28/207362728.db2.gz NIHYIRNBMLTWNY-UHFFFAOYSA-N 1 0 383.242 2.590 50 0 GFAARO c1ccc(C[NH+]2CCN(c3nc4nccnc4c(N4CCCCC4)n3)CC2)cc1 ZINC000031809754 207385922 /nfs/dbraw/zinc/38/59/22/207385922.db2.gz NTMZYHZUSHGAHJ-UHFFFAOYSA-N 1 0 389.507 2.732 50 0 GFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cn2cncn2)cc1 ZINC000032400835 207395451 /nfs/dbraw/zinc/39/54/51/207395451.db2.gz LMDOZOLAUKAYRM-UHFFFAOYSA-N 1 0 375.476 2.505 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CCCC2)c1 ZINC000299738471 207648317 /nfs/dbraw/zinc/64/83/17/207648317.db2.gz BFRVHFVTDLQKSN-QZTJIDSGSA-N 1 0 392.565 2.976 50 0 GFAARO CC[NH+]1CCC(CC(=O)N2CCC3(CN(CCC(C)C)C(=O)O3)CC2)CC1 ZINC000077504750 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GFAARO Nc1ncccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091586398 208125888 /nfs/dbraw/zinc/12/58/88/208125888.db2.gz BITRKLVPODWBHT-QFIPXVFZSA-N 1 0 379.508 2.506 50 0 GFAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)Cc2ccc3[nH]c4ccccc4c3c2)C1 ZINC000091635996 208129477 /nfs/dbraw/zinc/12/94/77/208129477.db2.gz RMENKOIIZDQHCN-QZTJIDSGSA-N 1 0 379.504 2.882 50 0 GFAARO O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091770202 208138014 /nfs/dbraw/zinc/13/80/14/208138014.db2.gz VYKZBFCWOJYSQT-VQTJNVASSA-N 1 0 385.533 2.799 50 0 GFAARO COc1coc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cc1=O ZINC000091321842 208114383 /nfs/dbraw/zinc/11/43/83/208114383.db2.gz KYGPFGVPLYLHCH-QFBILLFUSA-N 1 0 380.488 2.712 50 0 GFAARO CC(C)Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)s1 ZINC000091444507 208121005 /nfs/dbraw/zinc/12/10/05/208121005.db2.gz GUXDYKRGEBUSMS-UHFFFAOYSA-N 1 0 377.554 2.637 50 0 GFAARO COc1ccc(CCC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095371062 208166354 /nfs/dbraw/zinc/16/63/54/208166354.db2.gz NYNWZNVCSZKVHR-LJQANCHMSA-N 1 0 384.524 2.792 50 0 GFAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(=O)n1C ZINC000095374418 208170661 /nfs/dbraw/zinc/17/06/61/208170661.db2.gz BYIMXDMKQWMMRS-PKOBYXMFSA-N 1 0 383.467 2.569 50 0 GFAARO CN(C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)c1cccc(F)c1 ZINC000095383471 208171904 /nfs/dbraw/zinc/17/19/04/208171904.db2.gz PWZXAKNQNZNSOL-OAQYLSRUSA-N 1 0 385.483 2.915 50 0 GFAARO CCCc1nnc(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)s1 ZINC000095382492 208172841 /nfs/dbraw/zinc/17/28/41/208172841.db2.gz TZMQPOULTHXRLY-HLIPFELVSA-N 1 0 394.585 2.834 50 0 GFAARO Cc1ccc(Cc2ccccc2C(=O)N2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1F ZINC000091974341 208143966 /nfs/dbraw/zinc/14/39/66/208143966.db2.gz IHHOFNSXYVZREW-WOJBJXKFSA-N 1 0 384.495 2.967 50 0 GFAARO O=C(COc1ccc2ccccc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091933060 208145298 /nfs/dbraw/zinc/14/52/98/208145298.db2.gz CUTSRVOKPGOADC-NHCUHLMSSA-N 1 0 382.504 2.771 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3-n3cncn3)C[C@H]2[NH+](C)C)cc1 ZINC000095507448 208207063 /nfs/dbraw/zinc/20/70/63/208207063.db2.gz AYAWGHBERMFPHV-PZJWPPBQSA-N 1 0 375.476 2.746 50 0 GFAARO CCC[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)CC1CC1 ZINC000095430307 208181128 /nfs/dbraw/zinc/18/11/28/208181128.db2.gz AZUQVGCVMXAFMH-UHFFFAOYSA-N 1 0 376.497 2.555 50 0 GFAARO Cc1ccc(C(=O)CCC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000095455887 208185595 /nfs/dbraw/zinc/18/55/95/208185595.db2.gz GVICDRVFHITXOM-HNNXBMFYSA-N 1 0 377.554 2.646 50 0 GFAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CC(O)C1 ZINC000095510414 208211066 /nfs/dbraw/zinc/21/10/66/208211066.db2.gz VASUDRKRGUWHHD-UHFFFAOYSA-N 1 0 380.488 2.589 50 0 GFAARO COc1ccc(CN2CC(c3ccccn3)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095519278 208215921 /nfs/dbraw/zinc/21/59/21/208215921.db2.gz LIEVLRUSRVPXHJ-HXUWFJFHSA-N 1 0 397.519 2.525 50 0 GFAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)N1Cc1ccccn1 ZINC000095523089 208222711 /nfs/dbraw/zinc/22/27/11/208222711.db2.gz VIRQXSUSKNZZJL-DOTOQJQBSA-N 1 0 377.448 2.688 50 0 GFAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](CCc3cn[nH]c3)CC2)c1 ZINC000095523668 208222962 /nfs/dbraw/zinc/22/29/62/208222962.db2.gz BCHQBFZUDQROLB-UHFFFAOYSA-N 1 0 398.507 2.740 50 0 GFAARO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000095528548 208226338 /nfs/dbraw/zinc/22/63/38/208226338.db2.gz OEIYBYHZQYRVAI-GOSISDBHSA-N 1 0 385.483 2.849 50 0 GFAARO CN(C)c1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095530901 208228993 /nfs/dbraw/zinc/22/89/93/208228993.db2.gz UDGDXVXIBIQJQJ-GOSISDBHSA-N 1 0 383.540 2.921 50 0 GFAARO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccc(Br)cc2)CCN1C ZINC000095943618 208239272 /nfs/dbraw/zinc/23/92/72/208239272.db2.gz QMHPGQIXSXBAOX-COXVUDFISA-N 1 0 383.330 2.996 50 0 GFAARO CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)c1C 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1 0 378.488 2.781 50 0 GFAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1ccc(SCCc2ccccn2)cc1 ZINC000097805704 208363477 /nfs/dbraw/zinc/36/34/77/208363477.db2.gz CLAPXWSGGJGTEE-FQEVSTJZSA-N 1 0 386.521 2.652 50 0 GFAARO CCCC[N@H+](CCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2)Cc1ccco1 ZINC000100696147 208379266 /nfs/dbraw/zinc/37/92/66/208379266.db2.gz HUMCEBJLULGPPJ-UHFFFAOYSA-N 1 0 397.479 2.949 50 0 GFAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000170085062 208747554 /nfs/dbraw/zinc/74/75/54/208747554.db2.gz XWFUAFXVIYPJLR-RTBURBONSA-N 1 0 390.553 2.946 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC000222298768 208873000 /nfs/dbraw/zinc/87/30/00/208873000.db2.gz UTBBBJFCODTSID-WNRNVDISSA-N 1 0 379.545 2.726 50 0 GFAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000225436847 208951961 /nfs/dbraw/zinc/95/19/61/208951961.db2.gz ABHDRSYJQHRDQR-LADRWXRNSA-N 1 0 375.488 2.713 50 0 GFAARO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000225671656 208966723 /nfs/dbraw/zinc/96/67/23/208966723.db2.gz NISVOVOKWOGNAV-GJZGRUSLSA-N 1 0 381.325 2.822 50 0 GFAARO COC(=O)c1ccc(C)c(NC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000299798517 209090773 /nfs/dbraw/zinc/09/07/73/209090773.db2.gz QZIYBKQYDFKQQQ-KRWDZBQOSA-N 1 0 375.469 2.500 50 0 GFAARO CC(C)n1c(CN2CCC(C(=O)N3CC[NH2+][C@@H](C)C3)CC2)nc2ccccc21 ZINC000248146922 209028706 /nfs/dbraw/zinc/02/87/06/209028706.db2.gz FJKXMVKAORCKNW-KRWDZBQOSA-N 1 0 383.540 2.650 50 0 GFAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c(OC(F)F)c1 ZINC000252487044 209034606 /nfs/dbraw/zinc/03/46/06/209034606.db2.gz HRBSYEOVJKFQBF-UHFFFAOYSA-N 1 0 392.406 2.696 50 0 GFAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000253430859 209040392 /nfs/dbraw/zinc/04/03/92/209040392.db2.gz MBEQOAGNOIHSSM-XJKCOSOUSA-N 1 0 383.334 2.821 50 0 GFAARO COCCN1C[C@H](C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1=O ZINC000299787540 209089238 /nfs/dbraw/zinc/08/92/38/209089238.db2.gz OWFBVARWGNUPMJ-AWEZNQCLSA-N 1 0 386.323 2.610 50 0 GFAARO COCCn1c2cc(F)ccc2cc(C[NH2+]Cc2ccc3c(c2)OCO3)c1=O ZINC000299784220 209088761 /nfs/dbraw/zinc/08/87/61/209088761.db2.gz WNBCUYACCCUPFE-UHFFFAOYSA-N 1 0 384.407 2.806 50 0 GFAARO COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c1 ZINC000016424754 221362229 /nfs/dbraw/zinc/36/22/29/221362229.db2.gz XUWGGYTYELYVFW-KRWDZBQOSA-N 1 0 383.492 2.991 50 0 GFAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(OCC)cc3)CC2)cc(C)[nH+]1 ZINC000064800020 136157658 /nfs/dbraw/zinc/15/76/58/136157658.db2.gz IGRQHKDHFLGCSR-UHFFFAOYSA-N 1 0 384.484 2.970 50 0 GFAARO C[C@@H](CCNC(=O)[C@@H]1CCc2nc(N3CCC(C)CC3)ncc2C1)[NH+]1CCCC1 ZINC000065289577 136162616 /nfs/dbraw/zinc/16/26/16/136162616.db2.gz MVXGCZAGYIIFAD-RBUKOAKNSA-N 1 0 399.583 2.808 50 0 GFAARO Cc1nn(C)c2nc(-c3ccncc3)nc(N3CC[NH2+][C@@H](c4ccccc4)C3)c12 ZINC000072475052 136171265 /nfs/dbraw/zinc/17/12/65/136171265.db2.gz VBZCSZQBJYERIG-GOSISDBHSA-N 1 0 385.475 2.885 50 0 GFAARO CNc1nc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cc(C)[nH+]1 ZINC000082135194 136173968 /nfs/dbraw/zinc/17/39/68/136173968.db2.gz ZSDSDLPYVLRJQT-NRFANRHFSA-N 1 0 380.496 2.631 50 0 GFAARO [NH3+][C@@H]1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000097019617 136187922 /nfs/dbraw/zinc/18/79/22/136187922.db2.gz BRVPJHYOACOWOR-GFCCVEGCSA-N 1 0 376.810 2.530 50 0 GFAARO C[C@@H]1CCC(=O)N1c1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000097619027 136188603 /nfs/dbraw/zinc/18/86/03/136188603.db2.gz QSTBPVXMELDDCQ-MRXNPFEDSA-N 1 0 379.464 2.951 50 0 GFAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(c2ncccn2)CC1 ZINC000020476891 136202626 /nfs/dbraw/zinc/20/26/26/136202626.db2.gz DAAFYTIMPHFJON-GOSISDBHSA-N 1 0 387.487 2.768 50 0 GFAARO Cn1ccnc1SCC[NH2+]C1CCN(c2cccc(-n3cccn3)c2)CC1 ZINC000023429746 221596959 /nfs/dbraw/zinc/59/69/59/221596959.db2.gz ANVQFJKYJXBYPW-UHFFFAOYSA-N 1 0 382.537 2.957 50 0 GFAARO O=C(NCC[C@@H]1CCCC[NH2+]1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000426435420 534404338 /nfs/dbraw/zinc/40/43/38/534404338.db2.gz OROLGWJYJVHPEK-IBGZPJMESA-N 1 0 376.464 2.796 50 0 GFAARO C[N@H+](C[C@@H](O)COc1ccccc1CN1CCc2n[nH]cc2C1)C1CCCCC1 ZINC000095496745 523025113 /nfs/dbraw/zinc/02/51/13/523025113.db2.gz ATQJSYOXFOBGRV-OAQYLSRUSA-N 1 0 398.551 2.972 50 0 GFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000178525502 527237669 /nfs/dbraw/zinc/23/76/69/527237669.db2.gz BIHIUUDIBJKSHN-CSHXORCISA-N 1 0 387.487 2.814 50 0 GFAARO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1I ZINC000048106184 551155834 /nfs/dbraw/zinc/15/58/34/551155834.db2.gz WYOCSFDDQLTGKY-SNVBAGLBSA-N 1 0 378.229 2.890 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000156631426 551526255 /nfs/dbraw/zinc/52/62/55/551526255.db2.gz HGCRYQGRVRAIPS-UKRRQHHQSA-N 1 0 378.519 2.780 50 0 GFAARO CCOc1cc(Br)c(CC(=O)N2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000178524386 552172207 /nfs/dbraw/zinc/17/22/07/552172207.db2.gz NGPYDTTWZMHFDJ-LBPRGKRZSA-N 1 0 385.302 2.596 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[NH2+]CC3)cc2Br)on1 ZINC000299753932 563390676 /nfs/dbraw/zinc/39/06/76/563390676.db2.gz ZVVVRTLKGNDRSF-UHFFFAOYSA-N 1 0 394.269 2.760 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2Br)on1 ZINC000519863787 564593948 /nfs/dbraw/zinc/59/39/48/564593948.db2.gz FXKRPAIAHJCCTR-ZDUSSCGKSA-N 1 0 394.269 2.758 50 0 GFAARO O=S(=O)(NCCCCC[NH+]1CCOCC1)c1cc(Cl)c(Cl)s1 ZINC000670471470 565724458 /nfs/dbraw/zinc/72/44/58/565724458.db2.gz QXYNIFMBXYUMJC-UHFFFAOYSA-N 1 0 387.354 2.836 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccoc2)C1 ZINC000048356260 570242647 /nfs/dbraw/zinc/24/26/47/570242647.db2.gz MOTBFXWKWCZGSS-CALCHBBNSA-N 1 0 383.492 2.804 50 0 GFAARO CCOC(=O)N1CCC(NC(=O)[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000048374795 570249952 /nfs/dbraw/zinc/24/99/52/570249952.db2.gz IRNYUVPNZYHSPU-FQEVSTJZSA-N 1 0 387.524 2.806 50 0 GFAARO CCOc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)cc1 ZINC000104311051 570256335 /nfs/dbraw/zinc/25/63/35/570256335.db2.gz HPQWKYDJWRPEIG-LJQANCHMSA-N 1 0 396.491 2.690 50 0 GFAARO O=C(CSc1nnc(NC2CC2)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012903544 570289214 /nfs/dbraw/zinc/28/92/14/570289214.db2.gz VOVYRTJUNOZJOR-OAHLLOKOSA-N 1 0 389.550 2.595 50 0 GFAARO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)c1OCCCn1ccnc1 ZINC000216176644 570296702 /nfs/dbraw/zinc/29/67/02/570296702.db2.gz BQNRJLOFYVXQNF-ICSRJNTNSA-N 1 0 384.524 2.887 50 0 GFAARO CCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)ncn1 ZINC000249694619 570321704 /nfs/dbraw/zinc/32/17/04/570321704.db2.gz PFZIMRSKCBKQAP-QZTJIDSGSA-N 1 0 388.560 2.506 50 0 GFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCc1nc(-c2ccco2)no1 ZINC000218886714 570343219 /nfs/dbraw/zinc/34/32/19/570343219.db2.gz YCYLLLSCDNIIDU-KRWDZBQOSA-N 1 0 380.448 2.777 50 0 GFAARO COC(=O)c1c2c(sc1NC(=O)c1ccn(C)n1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000011695501 570343652 /nfs/dbraw/zinc/34/36/52/570343652.db2.gz RXBZHCQPKTZKEF-UHFFFAOYSA-N 1 0 376.482 2.680 50 0 GFAARO CC1CCC2(CC1)OC[C@@H](C(=O)NC1CC[NH+](C)CC1)N2C(=O)C1CCCC1 ZINC000034920241 570345228 /nfs/dbraw/zinc/34/52/28/570345228.db2.gz VIMUJIZVCAXYKO-UEUGHCDMSA-N 1 0 391.556 2.521 50 0 GFAARO Cc1cc(C)n(-c2cccc(CN(C)c3cc(C4CC([NH3+])C4)nc(N)n3)c2)n1 ZINC000219025568 570346336 /nfs/dbraw/zinc/34/63/36/570346336.db2.gz POIJARZQSYCVOY-UHFFFAOYSA-N 1 0 377.496 2.702 50 0 GFAARO Cc1nc(N2CCC(Nc3ncnc4c3cnn4C)CC2)cc(C(F)(F)F)n1 ZINC000575617158 570359647 /nfs/dbraw/zinc/35/96/47/570359647.db2.gz PWRSDPKVOGXQPH-UHFFFAOYSA-N 1 0 392.389 2.561 50 0 GFAARO O=S1(=O)C=C[C@@H]([NH2+]C2CCN(c3cccc(-c4cscn4)c3)CC2)C1 ZINC000023430324 570362364 /nfs/dbraw/zinc/36/23/64/570362364.db2.gz LBUAWMHIVZUEQQ-MRXNPFEDSA-N 1 0 375.519 2.679 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000061049762 570363560 /nfs/dbraw/zinc/36/35/60/570363560.db2.gz VJAKJFFLNZNFKV-DOTOQJQBSA-N 1 0 397.441 2.654 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc2c(c1)CCO2 ZINC000090607278 570383469 /nfs/dbraw/zinc/38/34/69/570383469.db2.gz IWBFZILQKIVKIM-KRWDZBQOSA-N 1 0 387.867 2.633 50 0 GFAARO COc1cccc(S(=O)(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000090609045 570385143 /nfs/dbraw/zinc/38/51/43/570385143.db2.gz HMNQWZBLDLBWHK-INIZCTEOSA-N 1 0 384.567 2.677 50 0 GFAARO CCOc1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000004916350 570418106 /nfs/dbraw/zinc/41/81/06/570418106.db2.gz JEEXXDQNZCSNHW-UHFFFAOYSA-N 1 0 390.553 2.588 50 0 GFAARO CCOC(=O)N1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1c1ccc(C)o1 ZINC000242339234 570432336 /nfs/dbraw/zinc/43/23/36/570432336.db2.gz ZGCILIIUXPJJDC-VSZNYVQBSA-N 1 0 389.496 2.945 50 0 GFAARO CN1CC[N@H+](C[C@H]2CCOC2)CC12CCN(C(=O)CCC1CCCC1)CC2 ZINC000244884403 570433875 /nfs/dbraw/zinc/43/38/75/570433875.db2.gz YLSXIWQJVAZXHX-HXUWFJFHSA-N 1 0 377.573 2.602 50 0 GFAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1=O ZINC000248328650 570453580 /nfs/dbraw/zinc/45/35/80/570453580.db2.gz CBYGOIXMIBWQRH-MJGOQNOKSA-N 1 0 387.524 2.880 50 0 GFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000054226671 570456771 /nfs/dbraw/zinc/45/67/71/570456771.db2.gz FCLZRQJWBSZGNS-JXFKEZNVSA-N 1 0 386.517 2.797 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)[C@H]1C[NH3+] ZINC000156813658 570459768 /nfs/dbraw/zinc/45/97/68/570459768.db2.gz HMBYRNYOSSYKBC-UZLBHIALSA-N 1 0 386.517 2.860 50 0 GFAARO CCC(CC)[C@@H](CNC(=O)NCCCS(=O)(=O)Cc1ccccc1)[NH+](C)C ZINC000072309520 570532606 /nfs/dbraw/zinc/53/26/06/570532606.db2.gz IZEARNCQNOEYBF-LJQANCHMSA-N 1 0 397.585 2.657 50 0 GFAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2C)c1 ZINC000036098603 570536485 /nfs/dbraw/zinc/53/64/85/570536485.db2.gz HCGTWLCPZSGKHC-QHCPKHFHSA-N 1 0 398.547 2.878 50 0 GFAARO CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1CCC(C)CC1 ZINC000006727540 570553983 /nfs/dbraw/zinc/55/39/83/570553983.db2.gz OAIYFIKCTJOOSO-UHFFFAOYSA-N 1 0 398.459 2.729 50 0 GFAARO CCCC[N@H+](C)CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751262 570569556 /nfs/dbraw/zinc/56/95/56/570569556.db2.gz YXNWBNDKLNIRLW-UHFFFAOYSA-N 1 0 375.513 2.739 50 0 GFAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000012020586 570598306 /nfs/dbraw/zinc/59/83/06/570598306.db2.gz MJZNPHGLDSSYIC-AWEZNQCLSA-N 1 0 383.427 2.560 50 0 GFAARO Cc1ccc(NC(=O)Nc2cc(OC(F)F)n(C)n2)c(OCC[NH+](C)C)c1 ZINC000225681715 570602229 /nfs/dbraw/zinc/60/22/29/570602229.db2.gz SXQONIOUDZHRRZ-UHFFFAOYSA-N 1 0 383.399 2.914 50 0 GFAARO COc1ccc(-n2cccn2)c(C[NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 ZINC000012193470 570622212 /nfs/dbraw/zinc/62/22/12/570622212.db2.gz CHPNACQQKSJABO-LJQANCHMSA-N 1 0 394.450 2.911 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C3=C(C)OCCO3)CC2)cc1 ZINC000012192638 570622314 /nfs/dbraw/zinc/62/23/14/570622314.db2.gz SBDHDIXSMHMHLB-UHFFFAOYSA-N 1 0 388.508 2.686 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000044572005 570633598 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CCOc1ccccc1NC(=O)CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000065453182 570769027 /nfs/dbraw/zinc/76/90/27/570769027.db2.gz CSJRYXXXJCUMGU-OAHLLOKOSA-N 1 0 375.494 2.895 50 0 GFAARO O=C(c1cccnc1)N1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC1 ZINC000065454680 570769184 /nfs/dbraw/zinc/76/91/84/570769184.db2.gz QLUSVCMYJKVRLR-LEWJYISDSA-N 1 0 383.467 2.676 50 0 GFAARO CN1C[C@H]2[C@@H](C1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccncc1)[NH2+][C@@]2(C)CO ZINC000065492366 570770440 /nfs/dbraw/zinc/77/04/40/570770440.db2.gz DLCBZSQHHUTDPC-VLSUOOLDSA-N 1 0 389.503 2.507 50 0 GFAARO CCCC[NH+]1CCN(C(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)CC1 ZINC000065492660 570770600 /nfs/dbraw/zinc/77/06/00/570770600.db2.gz ZDASLLQLINCWCM-UHFFFAOYSA-N 1 0 387.524 2.636 50 0 GFAARO COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c(C)c1 ZINC000067622432 570783876 /nfs/dbraw/zinc/78/38/76/570783876.db2.gz BBJGKMABFSUWMP-UHFFFAOYSA-N 1 0 384.484 2.936 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC(C)(C)CC3)C2=O)c1 ZINC000067642448 570784264 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GFAARO O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000032796010 570815912 /nfs/dbraw/zinc/81/59/12/570815912.db2.gz PGEUVTWQFPOAKE-UHFFFAOYSA-N 1 0 380.423 2.770 50 0 GFAARO CSCCCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071479396 570837748 /nfs/dbraw/zinc/83/77/48/570837748.db2.gz UQYYUOIGFUSRLK-IBGZPJMESA-N 1 0 390.597 2.627 50 0 GFAARO CCN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071747885 570845608 /nfs/dbraw/zinc/84/56/08/570845608.db2.gz SKHMZNLODQDLBK-HXUWFJFHSA-N 1 0 398.551 2.543 50 0 GFAARO O=C(c1cccs1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071752194 570847385 /nfs/dbraw/zinc/84/73/85/570847385.db2.gz IRIXKBIKZUMGJJ-INIZCTEOSA-N 1 0 375.538 2.687 50 0 GFAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+]1CCC[C@@H](CO)C1 ZINC000071761405 570849796 /nfs/dbraw/zinc/84/97/96/570849796.db2.gz YFZIACIRDZBSBG-GOSISDBHSA-N 1 0 384.524 2.863 50 0 GFAARO COc1ccc(NC(=O)c2ccc(C[NH2+][C@]3(C)CCS(=O)(=O)C3)cc2)cc1 ZINC000032850976 570854101 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385.508 2.860 50 0 GFAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)C1 ZINC000299796050 570896880 /nfs/dbraw/zinc/89/68/80/570896880.db2.gz NJFDOBNIMAUEGB-NRFANRHFSA-N 1 0 386.517 2.829 50 0 GFAARO C[C@@](O)(CCCO)CNC(=O)c1cccc(-c2cccc3c(N)cc[nH+]c32)c1 ZINC000534590012 570906160 /nfs/dbraw/zinc/90/61/60/570906160.db2.gz ZOICSUCVUBUKTG-JOCHJYFZSA-N 1 0 379.460 2.568 50 0 GFAARO Cn1c(SCc2cc(C(N)=O)oc2C(C)(C)C)nnc1[C@H]1CCC[NH2+]C1 ZINC000534637737 570912421 /nfs/dbraw/zinc/91/24/21/570912421.db2.gz IYOWCKAVSAFBLD-NSHDSACASA-N 1 0 377.514 2.564 50 0 GFAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(-c2cnn3ccccc23)cc1 ZINC000534664748 570918993 /nfs/dbraw/zinc/91/89/93/570918993.db2.gz GGRSENPZPTUXEK-IBGZPJMESA-N 1 0 378.476 2.578 50 0 GFAARO CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037555597 571030969 /nfs/dbraw/zinc/03/09/69/571030969.db2.gz QPJSGSBSKHZXPX-UHFFFAOYSA-N 1 0 385.483 2.989 50 0 GFAARO NC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012781711 571035003 /nfs/dbraw/zinc/03/50/03/571035003.db2.gz WURBQNQYNBXTTE-UHFFFAOYSA-N 1 0 380.444 2.652 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000052496735 654735989 /nfs/dbraw/zinc/73/59/89/654735989.db2.gz AUSPUMRVIYUPDO-CYBMUJFWSA-N 1 0 381.527 2.745 50 0 GFAARO CCOc1ccccc1CN(CC)C(=O)NC(C)(C)CN1CC[NH+](C)CC1 ZINC000426399010 231214796 /nfs/dbraw/zinc/21/47/96/231214796.db2.gz KJFSVLYSMJCYPM-UHFFFAOYSA-N 1 0 376.545 2.643 50 0 GFAARO CO[C@]12CC[N@H+](CC(C)(C)N3CCOCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426409013 231216258 /nfs/dbraw/zinc/21/62/58/231216258.db2.gz QQDPNPVYQHMYTE-CNNODRBYSA-N 1 0 389.540 2.583 50 0 GFAARO O=C(N[C@@H](c1ccccc1)c1ccncc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000426405726 231216532 /nfs/dbraw/zinc/21/65/32/231216532.db2.gz OBUUIPZRNQWTIU-NRFANRHFSA-N 1 0 380.492 2.677 50 0 GFAARO O=C(NCc1ccc(-n2cccn2)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426368250 231208527 /nfs/dbraw/zinc/20/85/27/231208527.db2.gz JBZZOWRWWZCOHQ-UHFFFAOYSA-N 1 0 385.537 2.595 50 0 GFAARO Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1F ZINC000426398004 231213476 /nfs/dbraw/zinc/21/34/76/231213476.db2.gz CZMICMKQECYPNA-IBGZPJMESA-N 1 0 383.467 2.728 50 0 GFAARO CN(Cc1ccc2nonc2c1)C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000426546316 529992161 /nfs/dbraw/zinc/99/21/61/529992161.db2.gz ZAQIXWKOMJEVBV-SFHVURJKSA-N 1 0 379.464 2.854 50 0 GFAARO C[NH+]1CCC(N2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000426584048 530049911 /nfs/dbraw/zinc/04/99/11/530049911.db2.gz QOTMBUHSHHHXAD-UHFFFAOYSA-N 1 0 384.446 2.627 50 0 GFAARO COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC ZINC000000538509 206308759 /nfs/dbraw/zinc/30/87/59/206308759.db2.gz FEZBIKUBAYAZIU-UHFFFAOYSA-N 1 0 388.464 2.583 50 0 fda GFAARO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969206 206577182 /nfs/dbraw/zinc/57/71/82/206577182.db2.gz WBRBUPDRKRBMOU-UHFFFAOYSA-N 1 0 395.569 2.776 50 0 GFAARO O=C(NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1cnccn1 ZINC000012213883 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2.614 50 0 GFAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014751336 207030114 /nfs/dbraw/zinc/03/01/14/207030114.db2.gz SIKYSHQTBNLERT-GOSISDBHSA-N 1 0 378.520 2.661 50 0 GFAARO C[C@@H]1CN(C2(C(=O)N(C)CCC[NH+]3CCCC3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000015073203 207045197 /nfs/dbraw/zinc/04/51/97/207045197.db2.gz QDDZBRXVUQTSTA-BGYRXZFFSA-N 1 0 399.579 2.578 50 0 GFAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@H](C)CO ZINC000015068371 207043359 /nfs/dbraw/zinc/04/33/59/207043359.db2.gz MRYMFZILWUJVIL-CYBMUJFWSA-N 1 0 386.477 2.643 50 0 GFAARO COc1cc(C(=O)N[C@H]2CCOC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015074080 207044106 /nfs/dbraw/zinc/04/41/06/207044106.db2.gz XVHXMSUQBQVIQN-KRWDZBQOSA-N 1 0 388.508 3.000 50 0 GFAARO C[C@H]1CSc2ccc(S(=O)(=O)NCC[NH+]3CCCCCC3)cc2NC1=O ZINC000015730854 207058682 /nfs/dbraw/zinc/05/86/82/207058682.db2.gz SEVIOBRYCHWADT-AWEZNQCLSA-N 1 0 397.566 2.521 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(NCCn3ccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000019334364 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GFAARO O=C(NCCCN1CCOCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020051312 207175545 /nfs/dbraw/zinc/17/55/45/207175545.db2.gz MVAKTBWEJMSLAJ-UHFFFAOYSA-N 1 0 393.531 2.697 50 0 GFAARO CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)ccc21 ZINC000019866120 207169085 /nfs/dbraw/zinc/16/90/85/207169085.db2.gz UKDOFQBFGHRRCA-GOTSBHOMSA-N 1 0 379.504 2.692 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1CO ZINC000020210942 207183589 /nfs/dbraw/zinc/18/35/89/207183589.db2.gz SBCZCNHVGUKAAD-QHCPKHFHSA-N 1 0 398.547 2.955 50 0 GFAARO CC(=O)Nc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000020321272 207187679 /nfs/dbraw/zinc/18/76/79/207187679.db2.gz XEGZQQJQKKAJME-QFIPXVFZSA-N 1 0 385.483 2.853 50 0 GFAARO O=C(O[C@H](C[NH+]1CCC2(CC1)OCCO2)C(F)(F)F)c1c(F)cccc1F ZINC000020405421 207191085 /nfs/dbraw/zinc/19/10/85/207191085.db2.gz YMQYXOBNXVCJIH-CYBMUJFWSA-N 1 0 395.324 2.891 50 0 GFAARO CCOC(=O)c1n[nH]cc1CN(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020778754 207215060 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OCCOc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000023145020 207270260 /nfs/dbraw/zinc/27/02/60/207270260.db2.gz WAYQOFFVIPWJNQ-NRFANRHFSA-N 1 0 376.541 2.507 50 0 GFAARO O=C1C[C@H](N2CC[NH+](CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022972166 207266800 /nfs/dbraw/zinc/26/68/00/207266800.db2.gz WRMGBAMPHHAQPC-NRFANRHFSA-N 1 0 395.478 2.708 50 0 GFAARO Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000024115822 207287919 /nfs/dbraw/zinc/28/79/19/207287919.db2.gz MCEQRIKILJGRCN-UHFFFAOYSA-N 1 0 382.439 2.957 50 0 GFAARO CNC(=O)C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000028903477 207351680 /nfs/dbraw/zinc/35/16/80/207351680.db2.gz PBJVUVKIWAEADA-HXUWFJFHSA-N 1 0 385.533 2.802 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)Cc1ccccc1 ZINC000029917343 207367728 /nfs/dbraw/zinc/36/77/28/207367728.db2.gz VZEKVZRSQVFVGE-HXUWFJFHSA-N 1 0 382.508 2.538 50 0 GFAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)C1 ZINC000033264209 207446724 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CC(C)CCN1CC2(CCN(C(=O)CC[C@H]3CCC[N@H+](C)C3)CC2)OC1=O ZINC000077340982 208038133 /nfs/dbraw/zinc/03/81/33/208038133.db2.gz JNGUMHAQZUMZCF-GOSISDBHSA-N 1 0 379.545 2.968 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cnc2ccccn12 ZINC000077391009 208040729 /nfs/dbraw/zinc/04/07/29/208040729.db2.gz XFKFZBWAGHNXGF-UHFFFAOYSA-N 1 0 378.480 2.609 50 0 GFAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000077440314 208044718 /nfs/dbraw/zinc/04/47/18/208044718.db2.gz NAISMBDNRSPUEN-UHFFFAOYSA-N 1 0 379.504 2.848 50 0 GFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)nc(N)n1 ZINC000091562686 208122042 /nfs/dbraw/zinc/12/20/42/208122042.db2.gz WQXHOHFIGZKWGM-RBUKOAKNSA-N 1 0 379.508 2.536 50 0 GFAARO Cc1nc2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)ccc2s1 ZINC000091519187 208122949 /nfs/dbraw/zinc/12/29/49/208122949.db2.gz ACMNUYPDJIXCQG-UHFFFAOYSA-N 1 0 381.505 2.947 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c1 ZINC000091575392 208123249 /nfs/dbraw/zinc/12/32/49/208123249.db2.gz DTFKHXLUAPADGT-JOCHJYFZSA-N 1 0 382.508 2.866 50 0 GFAARO Cc1nc(C)c(CC(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)s1 ZINC000091586525 208125637 /nfs/dbraw/zinc/12/56/37/208125637.db2.gz WENRJKKIUIFFRT-UHFFFAOYSA-N 1 0 387.553 2.964 50 0 GFAARO Nc1ncccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091586399 208127001 /nfs/dbraw/zinc/12/70/01/208127001.db2.gz BITRKLVPODWBHT-JOCHJYFZSA-N 1 0 379.508 2.506 50 0 GFAARO Cc1ccc(OCCN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c(Cl)c1 ZINC000091664373 208131615 /nfs/dbraw/zinc/13/16/15/208131615.db2.gz WGNPJUXFTXSEPN-FQEVSTJZSA-N 1 0 379.932 2.656 50 0 GFAARO CCN1C[C@]2(CCC[N@H+](CCOc3c(OC)cccc3OC)C2)CCC1=O ZINC000091693726 208131817 /nfs/dbraw/zinc/13/18/17/208131817.db2.gz SCLQPNWCRLXYNO-OAQYLSRUSA-N 1 0 376.497 2.807 50 0 GFAARO Cc1oc(C(C)C)cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091713332 208134715 /nfs/dbraw/zinc/13/47/15/208134715.db2.gz PRCZEDJNNSWNOM-QUCCMNQESA-N 1 0 391.556 2.562 50 0 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391.471 2.735 50 0 GFAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC[C@@H](C)c2ccccc2)CC1 ZINC000022608951 136204227 /nfs/dbraw/zinc/20/42/27/136204227.db2.gz KIFPRKKBHVXVKI-TZIWHRDSSA-N 1 0 384.520 2.998 50 0 GFAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC(c4ccncn4)CC3)CC2)c1 ZINC000299776216 209085934 /nfs/dbraw/zinc/08/59/34/209085934.db2.gz LMSSVXLLBZXFPL-UHFFFAOYSA-N 1 0 393.535 2.703 50 0 GFAARO CC(=O)NCCC1CCN(c2nc(CC[NH3+])nc3sc(C)c(C)c32)CC1 ZINC000065385833 534362099 /nfs/dbraw/zinc/36/20/99/534362099.db2.gz MMTJRSHFXUAIRS-UHFFFAOYSA-N 1 0 375.542 2.552 50 0 GFAARO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000426435421 534418731 /nfs/dbraw/zinc/41/87/31/534418731.db2.gz OROLGWJYJVHPEK-LJQANCHMSA-N 1 0 376.464 2.796 50 0 GFAARO COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000012543735 536603298 /nfs/dbraw/zinc/60/32/98/536603298.db2.gz HIMYCWLFXQIRFO-LFYBBSHMSA-N 1 0 379.460 2.877 50 0 GFAARO CCOc1c(C[NH2+]CCCN2CCCC2=O)cc(Br)cc1OC ZINC000013728039 551109517 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C[NH+](C)C[C@H](CNC(=O)Nc1cccc(-c2nnco2)c1)[C@H](O)c1ccccc1 ZINC000044084917 570235612 /nfs/dbraw/zinc/23/56/12/570235612.db2.gz JFLYJMAZPCBUTN-PKOBYXMFSA-N 1 0 395.463 2.770 50 0 GFAARO COc1ccc(CN2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)cc1C ZINC000104312992 570256667 /nfs/dbraw/zinc/25/66/67/570256667.db2.gz UMUZSCISSZNPAK-HXUWFJFHSA-N 1 0 386.540 2.919 50 0 GFAARO COc1ccc(CN2CC[N@@H+](C3CSCCSC3)C[C@H]2CCO)cc1C ZINC000104357053 570257070 /nfs/dbraw/zinc/25/70/70/570257070.db2.gz NMXSDKVVMSBXQS-GOSISDBHSA-N 1 0 396.622 2.721 50 0 GFAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@H]1CCO ZINC000104484602 570259139 /nfs/dbraw/zinc/25/91/39/570259139.db2.gz PUYMCZJHVMXRAB-OAQYLSRUSA-N 1 0 391.519 2.645 50 0 GFAARO COc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1C ZINC000012866833 570269391 /nfs/dbraw/zinc/26/93/91/570269391.db2.gz XWLMFHLAKDDXHP-UHFFFAOYSA-N 1 0 384.476 2.774 50 0 GFAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)N1CCC(Cn2ccnc2)CC1 ZINC000584902995 570270506 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GFAARO CC(C)COc1cccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069932071 570406145 /nfs/dbraw/zinc/40/61/45/570406145.db2.gz PDANEMXGFZMIIE-HXUWFJFHSA-N 1 0 389.540 2.975 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032951962 570428422 /nfs/dbraw/zinc/42/84/22/570428422.db2.gz KVDIVECCZGVVRO-MRXNPFEDSA-N 1 0 393.553 2.778 50 0 GFAARO COc1cccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)c1 ZINC000005274569 570433008 /nfs/dbraw/zinc/43/30/08/570433008.db2.gz PZSPJUCRSISKDJ-FQEVSTJZSA-N 1 0 377.444 2.949 50 0 GFAARO C[C@@H]1CCC[C@H]([N@H+](CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000248147148 570443794 /nfs/dbraw/zinc/44/37/94/570443794.db2.gz IFFDLLDLBFSSBX-AOIWGVFYSA-N 1 0 388.508 2.901 50 0 GFAARO Cc1cc(C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000131256044 570465475 /nfs/dbraw/zinc/46/54/75/570465475.db2.gz KXMFLUSKVDCWHM-AEFFLSMTSA-N 1 0 377.492 2.917 50 0 GFAARO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000072304981 570515149 /nfs/dbraw/zinc/51/51/49/570515149.db2.gz LGKGMYWJUMNVGA-FXAWDEMLSA-N 1 0 388.556 2.912 50 0 GFAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccco1 ZINC000036095912 570535652 /nfs/dbraw/zinc/53/56/52/570535652.db2.gz BDSAZYBKICFFNN-GOSISDBHSA-N 1 0 393.480 2.713 50 0 GFAARO COC(=O)c1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000036385676 570564914 /nfs/dbraw/zinc/56/49/14/570564914.db2.gz GZNTUQIPBYHOHS-HSZRJFAPSA-N 1 0 396.531 2.975 50 0 GFAARO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000225427291 570573003 /nfs/dbraw/zinc/57/30/03/570573003.db2.gz HHDNLCYNGVOEDX-UHFFFAOYSA-N 1 0 388.411 2.967 50 0 GFAARO CC(C)(C)CCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000225449321 570575317 /nfs/dbraw/zinc/57/53/17/570575317.db2.gz SFUKAFKAMGHDCG-UHFFFAOYSA-N 1 0 381.542 2.811 50 0 GFAARO Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C4CC[NH+](C)CC4)C3)[nH]n2)s1 ZINC000011662819 570577457 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GFAARO CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c1C ZINC000169680676 570601629 /nfs/dbraw/zinc/60/16/29/570601629.db2.gz OMWBHPIRMTYQED-LPHOPBHVSA-N 1 0 384.528 2.904 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)cn2)C1 ZINC000012053523 570601647 /nfs/dbraw/zinc/60/16/47/570601647.db2.gz DORRUHNVXNMKLW-GOSISDBHSA-N 1 0 382.508 2.820 50 0 GFAARO CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccccc3F)CC2)N(C)C1=O ZINC000096211058 570607575 /nfs/dbraw/zinc/60/75/75/570607575.db2.gz QEDSURJYXJAIJR-XJKSGUPXSA-N 1 0 378.517 2.791 50 0 GFAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1)N1CCOCC1 ZINC000012193919 570622610 /nfs/dbraw/zinc/62/26/10/570622610.db2.gz WTNRFYKOGPSPHN-HNNXBMFYSA-N 1 0 394.899 2.920 50 0 GFAARO CSc1ncc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)cn1 ZINC000012304929 570638280 /nfs/dbraw/zinc/63/82/80/570638280.db2.gz CEZNUMZGJRMKTN-UHFFFAOYSA-N 1 0 385.537 2.902 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnc4ccccc43)C2)c1 ZINC000012308852 570640212 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GFAARO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)c1ccccc1F)c1ccco1 ZINC000055386920 570693921 /nfs/dbraw/zinc/69/39/21/570693921.db2.gz FUGHVCPOOQBEAT-QGZVFWFLSA-N 1 0 375.444 2.738 50 0 GFAARO CCc1nc2c(c(=O)n1CC(=O)NCCC(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000065153513 570716853 /nfs/dbraw/zinc/71/68/53/570716853.db2.gz NKFYQACEDUVPDJ-UHFFFAOYSA-N 1 0 396.535 2.526 50 0 GFAARO CC(=O)Nc1nc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000058201192 570718987 /nfs/dbraw/zinc/71/89/87/570718987.db2.gz RDKXGDWKZJUXIM-CYBMUJFWSA-N 1 0 378.523 2.805 50 0 GFAARO Cn1cc(-c2ccc(F)cc2)cc1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000065170639 570719722 /nfs/dbraw/zinc/71/97/22/570719722.db2.gz VUOZKSBKVDQNJH-UHFFFAOYSA-N 1 0 384.499 2.683 50 0 GFAARO Cc1ccc([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)[NH+](C)C)cc1 ZINC000058246415 570722778 /nfs/dbraw/zinc/72/27/78/570722778.db2.gz QPRNZPRDIVCZAC-HXUWFJFHSA-N 1 0 378.476 2.514 50 0 GFAARO Cc1cc(-n2nc(-c3ccccc3)nc2Cn2nc(Cl)ccc2=O)cc[nH+]1 ZINC000063856323 570751792 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50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC000067434163 570779509 /nfs/dbraw/zinc/77/95/09/570779509.db2.gz COQOYXKUBGUZGC-OAHLLOKOSA-N 1 0 377.479 2.920 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(c3ncccn3)CC2)c(F)c1 ZINC000067561803 570781634 /nfs/dbraw/zinc/78/16/34/570781634.db2.gz NEPUEZROTUMXNI-UHFFFAOYSA-N 1 0 382.443 2.727 50 0 GFAARO CCC1CC[NH+](C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067563178 570782208 /nfs/dbraw/zinc/78/22/08/570782208.db2.gz QXSIRQXJKXHYEN-OAQYLSRUSA-N 1 0 378.488 2.810 50 0 GFAARO COc1cccc(CNCCC[NH2+]CCO)c1OCc1ccc(Cl)cc1 ZINC000013732806 570783625 /nfs/dbraw/zinc/78/36/25/570783625.db2.gz XUPWEIBTOCGLBU-UHFFFAOYSA-N 1 0 378.900 2.989 50 0 GFAARO Cc1cc(C[NH+]2CCCC2)ccc1Oc1cncc(C(=O)N2CCOCC2)n1 ZINC000067787355 570791059 /nfs/dbraw/zinc/79/10/59/570791059.db2.gz PZUYFRHDRPBREQ-UHFFFAOYSA-N 1 0 382.464 2.646 50 0 GFAARO Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000067818317 570792288 /nfs/dbraw/zinc/79/22/88/570792288.db2.gz MVLWDNJNNVVXLX-GOSISDBHSA-N 1 0 382.508 2.548 50 0 GFAARO Cc1ccc(NC(C)(C)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000067847045 570794127 /nfs/dbraw/zinc/79/41/27/570794127.db2.gz CISYTGLOUOREBH-UHFFFAOYSA-N 1 0 381.524 2.649 50 0 GFAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000067894767 570796130 /nfs/dbraw/zinc/79/61/30/570796130.db2.gz QBVFQDFWHVLJRU-QGZVFWFLSA-N 1 0 389.515 2.789 50 0 GFAARO O=C1N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067883945 570796438 /nfs/dbraw/zinc/79/64/38/570796438.db2.gz XLTRVZMPTREUHI-QFIPXVFZSA-N 1 0 378.476 2.505 50 0 GFAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067966567 570799165 /nfs/dbraw/zinc/79/91/65/570799165.db2.gz JTVLFURMFJVODP-QUCCMNQESA-N 1 0 389.455 2.616 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccsc3)C2=O)c1 ZINC000067974535 570799538 /nfs/dbraw/zinc/79/95/38/570799538.db2.gz QSSYXIQABBENID-HXUWFJFHSA-N 1 0 392.496 2.881 50 0 GFAARO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000032769180 570803973 /nfs/dbraw/zinc/80/39/73/570803973.db2.gz PMYHHOBPXDWADV-KRWDZBQOSA-N 1 0 387.505 2.802 50 0 GFAARO CCc1ccc(C2=NN(CCC(=O)NC[C@H]3CCC[N@H+]3CC)C(=O)CC2)cc1 ZINC000004668370 570814839 /nfs/dbraw/zinc/81/48/39/570814839.db2.gz DQSXYGWLGLHZIH-LJQANCHMSA-N 1 0 384.524 2.566 50 0 GFAARO CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCC[NH+](C)C ZINC000033173562 570837475 /nfs/dbraw/zinc/83/74/75/570837475.db2.gz HISDSZOAZTZDDQ-UHFFFAOYSA-N 1 0 391.415 2.763 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745420 570845138 /nfs/dbraw/zinc/84/51/38/570845138.db2.gz SJLACNQTNUXIOT-IBGZPJMESA-N 1 0 375.488 2.507 50 0 GFAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cs1 ZINC000071763624 570850814 /nfs/dbraw/zinc/85/08/14/570850814.db2.gz JHQZNRMNXKPLPI-OAHLLOKOSA-N 1 0 375.538 2.652 50 0 GFAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cccn(C)c2=O)CC1 ZINC000043991140 570852084 /nfs/dbraw/zinc/85/20/84/570852084.db2.gz AOSJOOWVBXSGKU-UHFFFAOYSA-N 1 0 385.533 2.749 50 0 GFAARO Cc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1NC(=O)c1ccco1 ZINC000170598020 570856009 /nfs/dbraw/zinc/85/60/09/570856009.db2.gz FDBLHGFTIVLTRF-KRWDZBQOSA-N 1 0 398.507 2.596 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 ZINC000046699546 570856008 /nfs/dbraw/zinc/85/60/08/570856008.db2.gz KVZFGSPNOPATKV-KXBFYZLASA-N 1 0 387.430 2.737 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)c2cn3cc(Cl)cnc3n2)CCC[N@@H+]1CC1CC1 ZINC000072146249 570871506 /nfs/dbraw/zinc/87/15/06/570871506.db2.gz MRXFGYRPXBZRJL-KRWDZBQOSA-N 1 0 375.904 2.965 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3nc4ccccc4[nH]3)CC2)C1 ZINC000015061572 570874080 /nfs/dbraw/zinc/87/40/80/570874080.db2.gz PDPBXNFPOCWDAZ-INIZCTEOSA-N 1 0 381.524 2.518 50 0 GFAARO CN(C)c1ncc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072171126 570877288 /nfs/dbraw/zinc/87/72/88/570877288.db2.gz QQPPJJSPXZYPOO-PWRODBHTSA-N 1 0 381.499 2.744 50 0 GFAARO [NH2+]=C1NC(SCC(=O)Nc2ccccc2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579226 570898803 /nfs/dbraw/zinc/89/88/03/570898803.db2.gz VABAMJAQBDLHMB-QGZVFWFLSA-N 1 0 378.461 2.812 50 0 GFAARO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3C)[NH+](C)C)cc1 ZINC000534590159 570906112 /nfs/dbraw/zinc/90/61/12/570906112.db2.gz ACCWLWBIIFOYAN-GOSISDBHSA-N 1 0 382.464 2.775 50 0 GFAARO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(C)cc2Br)CCCCC1 ZINC000079023268 570911374 /nfs/dbraw/zinc/91/13/74/570911374.db2.gz QGJYHGRKXQDWHH-UHFFFAOYSA-N 1 0 382.302 2.735 50 0 GFAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000023127673 570913016 /nfs/dbraw/zinc/91/30/16/570913016.db2.gz FQSAUBLOVCBQKU-UHFFFAOYSA-N 1 0 378.494 2.787 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000237507424 570943838 /nfs/dbraw/zinc/94/38/38/570943838.db2.gz LTYMWWLMUQOUNN-MAUKXSAKSA-N 1 0 381.476 2.564 50 0 GFAARO CC(=O)[C@H]1CC(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)=NN1c1ccccc1 ZINC000252458494 570959835 /nfs/dbraw/zinc/95/98/35/570959835.db2.gz LRRWRQSKOUHGAF-LAUBAEHRSA-N 1 0 384.524 2.839 50 0 GFAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC000109020818 570995151 /nfs/dbraw/zinc/99/51/51/570995151.db2.gz VTAJBCIJTLKMNG-UHFFFAOYSA-N 1 0 379.464 2.832 50 0 GFAARO Cc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1Br ZINC000054705029 570998140 /nfs/dbraw/zinc/99/81/40/570998140.db2.gz ILDREYWYIWDJRM-UHFFFAOYSA-N 1 0 377.286 2.829 50 0 GFAARO C[C@@H]1CN(CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@@H](C)O1 ZINC000084706296 571032209 /nfs/dbraw/zinc/03/22/09/571032209.db2.gz KNXFKNMYFLEONC-CHWSQXEVSA-N 1 0 385.302 2.767 50 0 GFAARO Cc1cc(OC[C@H](O)CNC(=O)NCC(C)(C)[NH+]2CCCC2)ccc1Cl ZINC000426422034 231218757 /nfs/dbraw/zinc/21/87/57/231218757.db2.gz TYEPLQHPYNNCOA-OAHLLOKOSA-N 1 0 383.920 2.562 50 0 GFAARO Cc1n[nH]c(C)c1[C@H](C)NC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426535998 231237215 /nfs/dbraw/zinc/23/72/15/231237215.db2.gz ZFNWHGHHGNGMBU-HNNXBMFYSA-N 1 0 381.524 2.972 50 0 GFAARO CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000426684027 529873964 /nfs/dbraw/zinc/87/39/64/529873964.db2.gz ZRBFLEJUXLYFQA-OAQYLSRUSA-N 1 0 377.488 2.562 50 0 GFAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426528079 529958118 /nfs/dbraw/zinc/95/81/18/529958118.db2.gz SNZZVLAZYWRVQG-NRFANRHFSA-N 1 0 388.471 2.978 50 0 GFAARO CN(Cc1ccc2nonc2c1)C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000426546312 529992172 /nfs/dbraw/zinc/99/21/72/529992172.db2.gz ZAQIXWKOMJEVBV-GOSISDBHSA-N 1 0 379.464 2.854 50 0 GFAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)NCc2cnc3ccccn23)CC1 ZINC000426511828 530049837 /nfs/dbraw/zinc/04/98/37/530049837.db2.gz VUIJLRIDKDZXOB-UHFFFAOYSA-N 1 0 378.480 2.535 50 0 GFAARO CC[NH+](CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000005008464 206582321 /nfs/dbraw/zinc/58/23/21/206582321.db2.gz SWUGJLJMJSRDKW-UHFFFAOYSA-N 1 0 381.929 2.742 50 0 GFAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000007005614 206699216 /nfs/dbraw/zinc/69/92/16/206699216.db2.gz RFPCYOQMTUKLKB-UHFFFAOYSA-N 1 0 381.498 2.587 50 0 GFAARO COc1ccc(OCc2nc3c4c(C)c(C)n(CC[NH+](C)C)c4ncn3n2)cc1 ZINC000009305831 206781898 /nfs/dbraw/zinc/78/18/98/206781898.db2.gz PUXGGMZQJSGMSY-UHFFFAOYSA-N 1 0 394.479 2.845 50 0 GFAARO COc1ccc(-n2cccn2)c(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 ZINC000012193462 206868243 /nfs/dbraw/zinc/86/82/43/206868243.db2.gz CHPNACQQKSJABO-IBGZPJMESA-N 1 0 394.450 2.911 50 0 GFAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000014538348 207022915 /nfs/dbraw/zinc/02/29/15/207022915.db2.gz PYTDIMLGWOAXSR-INIZCTEOSA-N 1 0 385.512 2.800 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014539143 207023435 /nfs/dbraw/zinc/02/34/35/207023435.db2.gz ARSPNFJMLSKTKM-LJQANCHMSA-N 1 0 396.535 2.659 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014745760 207028033 /nfs/dbraw/zinc/02/80/33/207028033.db2.gz TUHIPWBKCBIUDF-KRWDZBQOSA-N 1 0 382.508 2.795 50 0 GFAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC000014743865 207028561 /nfs/dbraw/zinc/02/85/61/207028561.db2.gz HKXFFDQTNCXLFD-GOSISDBHSA-N 1 0 383.540 2.716 50 0 GFAARO CN(Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)Cc1cnccn1 ZINC000014978766 207036246 /nfs/dbraw/zinc/03/62/46/207036246.db2.gz GULXEPRXEYBSKP-NRFANRHFSA-N 1 0 384.524 2.724 50 0 GFAARO C/C=C(\C)C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)C[NH+](C)C)CC1 ZINC000014994642 207038404 /nfs/dbraw/zinc/03/84/04/207038404.db2.gz LPROUQYEMHYWEO-SQDHZICKSA-N 1 0 385.552 2.823 50 0 GFAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014748789 207030011 /nfs/dbraw/zinc/03/00/11/207030011.db2.gz VSPQQHUZEVJNNV-VQTJNVASSA-N 1 0 382.508 2.910 50 0 GFAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000015077258 207046091 /nfs/dbraw/zinc/04/60/91/207046091.db2.gz HTSYGHSQSJHRAE-FQEVSTJZSA-N 1 0 383.536 2.724 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ccccn3)C2)cc1OC ZINC000015072400 207044036 /nfs/dbraw/zinc/04/40/36/207044036.db2.gz JUDJCIXPJJKCJD-SFHVURJKSA-N 1 0 383.492 2.878 50 0 GFAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000015729676 207056708 /nfs/dbraw/zinc/05/67/08/207056708.db2.gz PCVLGWUECOCWLP-UHFFFAOYSA-N 1 0 394.479 2.692 50 0 GFAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)n2)CC1 ZINC000015778158 207060836 /nfs/dbraw/zinc/06/08/36/207060836.db2.gz KSQFPTHOGFFCMA-UHFFFAOYSA-N 1 0 389.887 2.841 50 0 GFAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000019691213 207148742 /nfs/dbraw/zinc/14/87/42/207148742.db2.gz KAHQGHLLOCPHCN-SFHVURJKSA-N 1 0 386.492 2.812 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]CCCSC)C2 ZINC000019839669 207166749 /nfs/dbraw/zinc/16/67/49/207166749.db2.gz GJMOQOXOMDELSV-OAHLLOKOSA-N 1 0 390.553 2.968 50 0 GFAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848351 207165636 /nfs/dbraw/zinc/16/56/36/207165636.db2.gz UUZFEIBXGQTRAZ-SXYIGIQMSA-N 1 0 398.503 2.902 50 0 GFAARO CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CC[N@H+](CC(C)C)C2 ZINC000020204621 207181557 /nfs/dbraw/zinc/18/15/57/207181557.db2.gz YJNXMDZKKAYEJU-UHFFFAOYSA-N 1 0 395.551 2.880 50 0 GFAARO CCC[NH+]1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441780 207193935 /nfs/dbraw/zinc/19/39/35/207193935.db2.gz IQXJVRJAURXOOR-MOPGFXCFSA-N 1 0 399.988 2.957 50 0 GFAARO O=C1c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C(=O)N1c1ccccc1 ZINC000020533176 207200717 /nfs/dbraw/zinc/20/07/17/207200717.db2.gz SEFULLGJNFBVQV-HEHNFIMWSA-N 1 0 391.471 2.526 50 0 GFAARO CCC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531209 207201488 /nfs/dbraw/zinc/20/14/88/207201488.db2.gz WQZVOFLTEXNQER-JOCHJYFZSA-N 1 0 391.515 2.808 50 0 GFAARO COc1ccccc1[C@]1(CC[NH2+]CCN2CCOCC2)CCOC(C)(C)C1 ZINC000020590504 207204106 /nfs/dbraw/zinc/20/41/06/207204106.db2.gz AGSCXWRJQXEQAF-JOCHJYFZSA-N 1 0 376.541 2.834 50 0 GFAARO CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000020601470 207206486 /nfs/dbraw/zinc/20/64/86/207206486.db2.gz AKNRIDMNFBHHDR-HXUWFJFHSA-N 1 0 399.539 2.958 50 0 GFAARO COc1cccc(CNCC[NH2+]CCO)c1OCc1ccc(F)cc1Cl ZINC000020876270 207218175 /nfs/dbraw/zinc/21/81/75/207218175.db2.gz IYKZYNKOSIOMIC-UHFFFAOYSA-N 1 0 382.863 2.738 50 0 GFAARO CC1(C)NC(=O)N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022038657 207246542 /nfs/dbraw/zinc/24/65/42/207246542.db2.gz KGDSUQJCZZNAPJ-UHFFFAOYSA-N 1 0 392.503 2.682 50 0 GFAARO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN3CC[NH+](C)CC3)c2c1 ZINC000021934446 207243961 /nfs/dbraw/zinc/24/39/61/207243961.db2.gz XFZLGVHNOSRNJK-UHFFFAOYSA-N 1 0 389.503 2.582 50 0 GFAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1cccc2nonc21 ZINC000022752280 207259166 /nfs/dbraw/zinc/25/91/66/207259166.db2.gz SHUQZSHDMMAGEV-UHFFFAOYSA-N 1 0 395.507 2.748 50 0 GFAARO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022788326 207261023 /nfs/dbraw/zinc/26/10/23/207261023.db2.gz VCMKOKXBIDEGJZ-NQIIRXRSSA-N 1 0 381.520 2.641 50 0 GFAARO CC(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000023130272 207270386 /nfs/dbraw/zinc/27/03/86/207270386.db2.gz AFCSQOIGXCMMBY-UHFFFAOYSA-N 1 0 399.882 2.886 50 0 GFAARO CC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)CC1 ZINC000023363036 207274701 /nfs/dbraw/zinc/27/47/01/207274701.db2.gz ZGKCUQDZWWJNOT-MRXNPFEDSA-N 1 0 388.581 2.999 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OCc3cccnc3)cc2)C1 ZINC000023114378 207267968 /nfs/dbraw/zinc/26/79/68/207267968.db2.gz IJMCZQGVWTXGAS-OAQYLSRUSA-N 1 0 383.492 2.747 50 0 GFAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000023731541 207282010 /nfs/dbraw/zinc/28/20/10/207282010.db2.gz HMNMNFJXRVJXHB-SFHVURJKSA-N 1 0 379.504 2.586 50 0 GFAARO CC(C)Cn1c(CN2CCC(C[NH+]3CCCCC3)CC2)cnc1S(C)(=O)=O ZINC000012316808 207287419 /nfs/dbraw/zinc/28/74/19/207287419.db2.gz SYCIEOQZSYMDTN-UHFFFAOYSA-N 1 0 396.601 2.641 50 0 GFAARO CCn1c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2nc(C)c1=O ZINC000025813328 207307741 /nfs/dbraw/zinc/30/77/41/207307741.db2.gz WBLJOMCGYFAOLJ-SFHVURJKSA-N 1 0 384.505 2.819 50 0 GFAARO O=C(c1ccc(Br)cc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040118908 207343821 /nfs/dbraw/zinc/34/38/21/207343821.db2.gz GZFDGQYGKWTVQX-UHFFFAOYSA-N 1 0 385.277 2.773 50 0 GFAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC[NH+](C)C)cc3)n2)cc1 ZINC000032579013 207397739 /nfs/dbraw/zinc/39/77/39/207397739.db2.gz MDWPFHNIXDNZSE-UHFFFAOYSA-N 1 0 380.448 2.769 50 0 GFAARO CNC(=O)c1ccc(/C=C/C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032401429 207395729 /nfs/dbraw/zinc/39/57/29/207395729.db2.gz YQVWLPNCLGFPBC-FMIVXFBMSA-N 1 0 377.488 2.624 50 0 GFAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCCC3)CC2)c(C)c1C ZINC000033024398 207431084 /nfs/dbraw/zinc/43/10/84/207431084.db2.gz NYOMQPNVMNMOSR-UHFFFAOYSA-N 1 0 388.556 2.784 50 0 GFAARO O=C(CN(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000033032425 207433540 /nfs/dbraw/zinc/43/35/40/207433540.db2.gz ZAPKEAZKJVVPAA-UHFFFAOYSA-N 1 0 389.858 2.553 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2Br)no1 ZINC000299738423 207646240 /nfs/dbraw/zinc/64/62/40/207646240.db2.gz ARGXFHMQKKOZEG-AWEZNQCLSA-N 1 0 394.269 2.888 50 0 GFAARO [NH2+]=C1N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1 ZINC000070466423 207930553 /nfs/dbraw/zinc/93/05/53/207930553.db2.gz NIDRNVHMMDAAIK-YPMLDQLKSA-N 1 0 390.415 2.515 50 0 in-vitro GFAARO C[C@H](CC(C)(C)O)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072473099 208031505 /nfs/dbraw/zinc/03/15/05/208031505.db2.gz DIVXAGBWZHKDOK-QGZVFWFLSA-N 1 0 376.497 2.902 50 0 GFAARO OCCOc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c1 ZINC000077397507 208041948 /nfs/dbraw/zinc/04/19/48/208041948.db2.gz BBNZZRSPGCNOGL-OAQYLSRUSA-N 1 0 376.541 2.507 50 0 GFAARO CC(=O)c1c(C)nn(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)c1C ZINC000077457157 208045913 /nfs/dbraw/zinc/04/59/13/208045913.db2.gz WCENXBDZRHPPHW-VQTJNVASSA-N 1 0 382.508 2.567 50 0 GFAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 ZINC000078718459 208063538 /nfs/dbraw/zinc/06/35/38/208063538.db2.gz NTMFIMZXUBLACN-RTBURBONSA-N 1 0 377.573 2.994 50 0 GFAARO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000079054160 208070136 /nfs/dbraw/zinc/07/01/36/208070136.db2.gz BYUOYOJAIIWBKE-UHFFFAOYSA-N 1 0 395.550 2.888 50 0 GFAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c(C)o1 ZINC000082107751 208079451 /nfs/dbraw/zinc/07/94/51/208079451.db2.gz KEQOEOMSROQNMG-GOSISDBHSA-N 1 0 387.524 2.835 50 0 GFAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)CCc1ccco1)C2 ZINC000082133913 208082116 /nfs/dbraw/zinc/08/21/16/208082116.db2.gz YPLKHBHZRIGMLZ-KNKQGSTJSA-N 1 0 390.524 2.578 50 0 GFAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3cc(C)ccc3C)cc2C1 ZINC000082170668 208083055 /nfs/dbraw/zinc/08/30/55/208083055.db2.gz VPCUQFKHJVPYMQ-UHFFFAOYSA-N 1 0 376.526 2.594 50 0 GFAARO O=c1ccnc2sc(N(CC[NH+]3CCCC3)Cc3ccc(Cl)cc3)nn21 ZINC000084398154 208091799 /nfs/dbraw/zinc/09/17/99/208091799.db2.gz WALFEDCGQQCBJO-UHFFFAOYSA-N 1 0 389.912 2.907 50 0 GFAARO Cc1nc(C2CC2)ncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091644012 208127972 /nfs/dbraw/zinc/12/79/72/208127972.db2.gz DZAOGBLNEFSDKU-PKOBYXMFSA-N 1 0 377.492 2.794 50 0 GFAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N3CCCC3)cc1)CC2 ZINC000091794277 208138924 /nfs/dbraw/zinc/13/89/24/208138924.db2.gz JPKQNCDBDLNNSV-UHFFFAOYSA-N 1 0 379.508 2.629 50 0 GFAARO COc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000091304825 208114725 /nfs/dbraw/zinc/11/47/25/208114725.db2.gz DPHHXZGJOWAUBM-IEBWSBKVSA-N 1 0 381.476 2.706 50 0 GFAARO O=c1oc2ccccc2n1Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000091382006 208116220 /nfs/dbraw/zinc/11/62/20/208116220.db2.gz KZHZMVVUVACSPB-GOSISDBHSA-N 1 0 375.432 2.681 50 0 GFAARO COc1cccc(CN2C[C@H](c3nc(CC4CC[NH+](C)CC4)no3)CCC2=O)c1 ZINC000091504000 208118620 /nfs/dbraw/zinc/11/86/20/208118620.db2.gz MUKDBUNBXHWHEN-GOSISDBHSA-N 1 0 398.507 2.869 50 0 GFAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)nc1 ZINC000091518725 208121725 /nfs/dbraw/zinc/12/17/25/208121725.db2.gz PLKZVQYZLQJKMV-JOCHJYFZSA-N 1 0 381.524 2.814 50 0 GFAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000095385426 208174872 /nfs/dbraw/zinc/17/48/72/208174872.db2.gz DCJDZCFIFWNSED-SFHVURJKSA-N 1 0 375.480 2.921 50 0 GFAARO O=C(Cc1cccc(O)c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378901 208173967 /nfs/dbraw/zinc/17/39/67/208173967.db2.gz UHVOENIDYJKJMB-MDNUFGMLSA-N 1 0 378.472 2.729 50 0 GFAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@H](F)c1ccccc1)CC2 ZINC000091849209 208140297 /nfs/dbraw/zinc/14/02/97/208140297.db2.gz ATUNNWHZOPHHHK-HXUWFJFHSA-N 1 0 389.515 2.880 50 0 GFAARO OC[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@H]1CN1CCOCC1 ZINC000092107754 208150651 /nfs/dbraw/zinc/15/06/51/208150651.db2.gz QSHGBZRSSOMLLO-HUUCEWRRSA-N 1 0 380.941 2.927 50 0 GFAARO 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C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000230172085 209006070 /nfs/dbraw/zinc/00/60/70/209006070.db2.gz QQRMRAOYCBSXRC-HLIPFELVSA-N 1 0 383.536 2.792 50 0 GFAARO O=C(Cc1c(F)cccc1Cl)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299792691 209091641 /nfs/dbraw/zinc/09/16/41/209091641.db2.gz FQYRRFGKELPDOT-UHFFFAOYSA-N 1 0 395.906 2.568 50 0 GFAARO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OCCC(C)C)c1 ZINC000239637102 209017701 /nfs/dbraw/zinc/01/77/01/209017701.db2.gz BIUVEWSKGKGMAK-QGZVFWFLSA-N 1 0 378.513 2.697 50 0 GFAARO C[C@@H](O)c1ncc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000241862555 209019880 /nfs/dbraw/zinc/01/98/80/209019880.db2.gz SRARNODOLXSHSZ-QWHCGFSZSA-N 1 0 392.500 2.578 50 0 GFAARO Cc1ccc(C)c([C@@H](C)NC(=O)CN2CC[NH+](C3CCSCC3)CC2)c1 ZINC000244601847 209021882 /nfs/dbraw/zinc/02/18/82/209021882.db2.gz DSUHHQHVCUPORE-GOSISDBHSA-N 1 0 375.582 2.994 50 0 GFAARO COc1c(C)cc(-c2cccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)cc1C ZINC000299801166 209089820 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ZINC000229757592 570666708 /nfs/dbraw/zinc/66/67/08/570666708.db2.gz YOKOGEWFEQKVJU-BMQTXXJKSA-N 1 0 385.552 2.943 50 0 GFAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCCC[C@@H]2[C@H]1N1CCOCC1 ZINC000012523765 570675667 /nfs/dbraw/zinc/67/56/67/570675667.db2.gz NNKLHIKTXJPZQM-NQSCKRDGSA-N 1 0 382.508 2.598 50 0 GFAARO Cc1c(C(=O)NCc2cccs2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048237 570698794 /nfs/dbraw/zinc/69/87/94/570698794.db2.gz HFDKQLDWFMHYJN-UHFFFAOYSA-N 1 0 387.534 2.743 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)NCCCc3ccc(OC)cc3)cn2)CC1 ZINC000012704067 570699454 /nfs/dbraw/zinc/69/94/54/570699454.db2.gz LHFAILLQKHOQSU-UHFFFAOYSA-N 1 0 382.508 2.595 50 0 GFAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1)C1CCCCC1 ZINC000012835409 570723584 /nfs/dbraw/zinc/72/35/84/570723584.db2.gz GSIVNAHWQJQXPA-GOSISDBHSA-N 1 0 375.557 2.891 50 0 GFAARO C[C@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCC(C)CC1 ZINC000058327158 570727529 /nfs/dbraw/zinc/72/75/29/570727529.db2.gz 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CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067602154 570782639 /nfs/dbraw/zinc/78/26/39/570782639.db2.gz BHMUBJMAFHJZTR-UHFFFAOYSA-N 1 0 375.494 2.638 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000067604209 570783398 /nfs/dbraw/zinc/78/33/98/570783398.db2.gz BPUPOBZXHUIMKV-UHFFFAOYSA-N 1 0 387.434 2.626 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000067620943 570783857 /nfs/dbraw/zinc/78/38/57/570783857.db2.gz BPLNGPVLPVWTIX-UHFFFAOYSA-N 1 0 389.887 2.598 50 0 GFAARO CCOC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1 ZINC000067694789 570786672 /nfs/dbraw/zinc/78/66/72/570786672.db2.gz KBHNQYZCMVMUOM-UHFFFAOYSA-N 1 0 381.480 2.822 50 0 GFAARO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccnc1Oc1ccccc1F ZINC000067713964 570787961 /nfs/dbraw/zinc/78/79/61/570787961.db2.gz PCUQSLBEHSZOGK-SFHVURJKSA-N 1 0 381.407 2.905 50 0 GFAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCCC3)C2=O)c1OC ZINC000067725752 570788344 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GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)CCc3cn[nH]c3)C2=O)cc1 ZINC000067981737 570799369 /nfs/dbraw/zinc/79/93/69/570799369.db2.gz YUGCANHZBLLZKN-QFIPXVFZSA-N 1 0 384.524 2.561 50 0 GFAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405645 570832821 /nfs/dbraw/zinc/83/28/21/570832821.db2.gz FSBDTPFOIBVYJX-IBGZPJMESA-N 1 0 385.556 2.732 50 0 GFAARO O=C(CCC1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388774 570832958 /nfs/dbraw/zinc/83/29/58/570832958.db2.gz JHDVAMKMGWTHOR-LJQANCHMSA-N 1 0 398.551 2.591 50 0 GFAARO Cc1cccc2[nH]c(CN(C)C(=O)[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc21 ZINC000071753013 570847371 /nfs/dbraw/zinc/84/73/71/570847371.db2.gz FJMGNPBNYJHIGU-QGZVFWFLSA-N 1 0 383.540 2.636 50 0 GFAARO CN1c2ccccc2[C@@](CC(=O)NCCC[NH+](C)C)(Cc2ccccc2)C1=O ZINC000071758829 570849083 /nfs/dbraw/zinc/84/90/83/570849083.db2.gz QLKNLRRBAKJXET-QHCPKHFHSA-N 1 0 379.504 2.602 50 0 GFAARO CC(C)[C@@H]1CN(CC(=O)Nc2cnn(C)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071765061 570851589 /nfs/dbraw/zinc/85/15/89/570851589.db2.gz NSBKORAZNABBBG-FQEVSTJZSA-N 1 0 387.503 2.730 50 0 GFAARO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000015038667 570873176 /nfs/dbraw/zinc/87/31/76/570873176.db2.gz IXJVBZZQTCSRAP-UHFFFAOYSA-N 1 0 380.444 2.967 50 0 GFAARO CCCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000072149732 570873337 /nfs/dbraw/zinc/87/33/37/570873337.db2.gz SIQMJPRWZDGXAF-FQEVSTJZSA-N 1 0 396.553 2.732 50 0 GFAARO COCC1(C(=O)N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000072152085 570873946 /nfs/dbraw/zinc/87/39/46/570873946.db2.gz VRYRTSLIEBDQEH-HMXCVIKNSA-N 1 0 384.520 2.901 50 0 GFAARO CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000072157811 570875184 /nfs/dbraw/zinc/87/51/84/570875184.db2.gz UVPAFBKVFKJABH-QFIPXVFZSA-N 1 0 379.504 2.760 50 0 GFAARO CCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072165406 570876279 /nfs/dbraw/zinc/87/62/79/570876279.db2.gz FFOGNMBFPMQENJ-OAHLLOKOSA-N 1 0 377.448 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C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccs1)Cc1ccccc1O2 ZINC000257175811 655441157 /nfs/dbraw/zinc/44/11/57/655441157.db2.gz QXFPUDZIUNPNBT-UHFFFAOYSA-N 1 0 378.519 2.796 50 0 GFAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000409414592 231203722 /nfs/dbraw/zinc/20/37/22/231203722.db2.gz NDOVSJSFJUILLN-PKOBYXMFSA-N 1 0 393.528 2.745 50 0 GFAARO Cc1nc(CC2CCN(C(=O)N[C@H](C[NH+]3CCCC3)C(C)(C)C)CC2)no1 ZINC000426489873 231228462 /nfs/dbraw/zinc/22/84/62/231228462.db2.gz FWJUWQNCZTXGDT-QGZVFWFLSA-N 1 0 377.533 2.853 50 0 GFAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(O)(c2ccccn2)CC1 ZINC000426518963 231234490 /nfs/dbraw/zinc/23/44/90/231234490.db2.gz LQLXQELOHYIGJC-FQEVSTJZSA-N 1 0 394.519 2.739 50 0 GFAARO CNC(=O)C1(NC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000426677934 529841215 /nfs/dbraw/zinc/84/12/15/529841215.db2.gz GKZKSFVTISUGDL-LJQANCHMSA-N 1 0 386.540 2.647 50 0 GFAARO CNC(=O)c1cccnc1N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426661984 529951614 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2.880 50 0 GFAARO COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000010329527 206384327 /nfs/dbraw/zinc/38/43/27/206384327.db2.gz VHCNIZCUKWPYKK-INIZCTEOSA-N 1 0 376.428 2.884 50 0 GFAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014185432 207014183 /nfs/dbraw/zinc/01/41/83/207014183.db2.gz KITUZWWJGLSMML-UHFFFAOYSA-N 1 0 375.488 2.667 50 0 GFAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014541137 207024318 /nfs/dbraw/zinc/02/43/18/207024318.db2.gz YCVHDNHJRIVZDE-UHFFFAOYSA-N 1 0 392.503 2.943 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)CSC)CC1 ZINC000014950973 207032230 /nfs/dbraw/zinc/03/22/30/207032230.db2.gz LJVABRPDKDOMFF-HNNXBMFYSA-N 1 0 396.553 2.666 50 0 GFAARO COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1[NH+]1CCOCC1 ZINC000014970348 207034669 /nfs/dbraw/zinc/03/46/69/207034669.db2.gz BOGBRAYLIAXCED-HNAYVOBHSA-N 1 0 398.906 2.955 50 0 GFAARO O=C(NC1(c2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014978312 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O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000032095570 207391570 /nfs/dbraw/zinc/39/15/70/207391570.db2.gz XHXRQSMUABFFEO-SFHVURJKSA-N 1 0 395.478 2.959 50 0 GFAARO COc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104269 207553575 /nfs/dbraw/zinc/55/35/75/207553575.db2.gz BRLWHAYCLJUNIQ-UHFFFAOYSA-N 1 0 387.505 2.691 50 0 GFAARO CN1c2ccccc2[C@](CC(=O)NCC2CC[NH2+]CC2)(Cc2ccccc2)C1=O ZINC000071404026 207938512 /nfs/dbraw/zinc/93/85/12/207938512.db2.gz KHLCSWFBBZTFIZ-XMMPIXPASA-N 1 0 391.515 2.649 50 0 GFAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCc2nnc(-c3ccccc3)n2CC1 ZINC000072161327 207985337 /nfs/dbraw/zinc/98/53/37/207985337.db2.gz WLCRTODGLCPVPN-SFHVURJKSA-N 1 0 387.487 2.721 50 0 GFAARO Cc1cc(C)n(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)n1 ZINC000072410655 208019582 /nfs/dbraw/zinc/01/95/82/208019582.db2.gz RGNFRRLHASZOQF-OAHLLOKOSA-N 1 0 377.496 2.541 50 0 GFAARO C[NH+](C)CCN1Cc2c(cccc2C(=O)N2CCC[C@H]2c2cccnc2)C1=O ZINC000072432636 208025146 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GFAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3c(F)c(F)ccc3OC)cc2C1 ZINC000082161559 208083305 /nfs/dbraw/zinc/08/33/05/208083305.db2.gz IKDPRIOZOKHEFT-UHFFFAOYSA-N 1 0 378.423 2.716 50 0 GFAARO COCC[NH+]1CCC(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000091713654 208135089 /nfs/dbraw/zinc/13/50/89/208135089.db2.gz CQHJOIVOJBHWDR-UHFFFAOYSA-N 1 0 386.496 2.516 50 0 GFAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc(OC)c1 ZINC000091793332 208138781 /nfs/dbraw/zinc/13/87/81/208138781.db2.gz BFUDRXJLAOGMCQ-VQIMIIECSA-N 1 0 381.476 2.835 50 0 GFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091440075 208115993 /nfs/dbraw/zinc/11/59/93/208115993.db2.gz ZWEHMWSJRVYCJL-OAHLLOKOSA-N 1 0 376.460 2.959 50 0 GFAARO CCc1nnsc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091390687 208117371 /nfs/dbraw/zinc/11/73/71/208117371.db2.gz GTCJXRXVBGLRGK-UHFFFAOYSA-N 1 0 388.541 2.765 50 0 GFAARO Cc1ccncc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358343 208161646 /nfs/dbraw/zinc/16/16/46/208161646.db2.gz IOJMUUDXFKHZJJ-VLCRHTCISA-N 1 0 391.471 2.821 50 0 GFAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095363579 208163576 /nfs/dbraw/zinc/16/35/76/208163576.db2.gz RAYSUUGNZKUFOA-OAHLLOKOSA-N 1 0 384.459 2.587 50 0 GFAARO O=C(CCN1Cc2ccccc2C1=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095368363 208166293 /nfs/dbraw/zinc/16/62/93/208166293.db2.gz STOOGXFLTPMJBI-UYAOXDASSA-N 1 0 381.520 2.755 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)COc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375611 208169776 /nfs/dbraw/zinc/16/97/76/208169776.db2.gz OTPAPFVIAAOAGZ-MDNUFGMLSA-N 1 0 377.488 2.858 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccnc(OC)c2)C3)cc1 ZINC000095381219 208173609 /nfs/dbraw/zinc/17/36/09/208173609.db2.gz ALBMETOMZJPZOW-PKOBYXMFSA-N 1 0 381.476 2.835 50 0 GFAARO CC(C)n1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cn1 ZINC000092037930 208146277 /nfs/dbraw/zinc/14/62/77/208146277.db2.gz 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CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000051760580 570410542 /nfs/dbraw/zinc/41/05/42/570410542.db2.gz UCCQXSMVLOFKCZ-LJQANCHMSA-N 1 0 384.568 2.964 50 0 GFAARO CCC(CC)[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000013011245 570416563 /nfs/dbraw/zinc/41/65/63/570416563.db2.gz NTRKEVSKXCBYAE-SFHVURJKSA-N 1 0 376.497 2.601 50 0 GFAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000053450088 570424845 /nfs/dbraw/zinc/42/48/45/570424845.db2.gz QAQFOPPINNIZAF-UHFFFAOYSA-N 1 0 380.286 2.773 50 0 GFAARO COc1ccccc1/C=C/C[NH2+]Cc1cccnc1N1CCN(C(C)=O)CC1 ZINC000011998239 570453014 /nfs/dbraw/zinc/45/30/14/570453014.db2.gz KISJBHOPWHPHJM-VMPITWQZSA-N 1 0 380.492 2.562 50 0 GFAARO Cc1cc(C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000131255627 570465543 /nfs/dbraw/zinc/46/55/43/570465543.db2.gz KXMFLUSKVDCWHM-WMZOPIPTSA-N 1 0 377.492 2.917 50 0 GFAARO Cc1ccc(CN2C[C@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2=O)cc1 ZINC000035982377 570501629 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GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000253414789 206283101 /nfs/dbraw/zinc/28/31/01/206283101.db2.gz YPVITGAHYZKTAX-PCCBWWKXSA-N 1 0 383.536 2.758 50 0 GFAARO COC(=O)c1cn(C[C@H](c2ccco2)[NH+]2CCCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587637 206287404 /nfs/dbraw/zinc/28/74/04/206287404.db2.gz JKLUUPDXRMOWNE-MRXNPFEDSA-N 1 0 384.436 2.673 50 0 GFAARO C[NH+](C)CCn1cnc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21 ZINC000263588725 206288567 /nfs/dbraw/zinc/28/85/67/206288567.db2.gz XTFDPEHGUKXBPU-UHFFFAOYSA-N 1 0 395.507 2.934 50 0 GFAARO CCOc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1OC ZINC000002886588 206292451 /nfs/dbraw/zinc/29/24/51/206292451.db2.gz IMXSDKBNPVPNPO-UHFFFAOYSA-N 1 0 387.318 2.668 50 0 GFAARO CN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)C1CC[NH+](C)CC1 ZINC000003312617 206469234 /nfs/dbraw/zinc/46/92/34/206469234.db2.gz KMBRKOWBDAVTAV-UHFFFAOYSA-N 1 0 376.460 2.552 50 0 GFAARO O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCC[NH+]1CCCCCC1 ZINC000006782338 206675217 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CCC[NH+]1CCC2(CCN(C(=O)CSc3ccncc3)C[C@@H]2CO)CC1 ZINC000097675407 208361018 /nfs/dbraw/zinc/36/10/18/208361018.db2.gz XHRUMVHAELHMKL-QGZVFWFLSA-N 1 0 377.554 2.507 50 0 GFAARO CCC[NH+]1CCC2(CCN(C(=O)c3cccnc3SC)C[C@@H]2CO)CC1 ZINC000097815508 208362581 /nfs/dbraw/zinc/36/25/81/208362581.db2.gz OIDSIBJZGJIRRD-MRXNPFEDSA-N 1 0 377.554 2.750 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)[C@@H]1C[NH3+] ZINC000237445031 208464952 /nfs/dbraw/zinc/46/49/52/208464952.db2.gz CKJOTKLGBKGPJD-OXQOHEQNSA-N 1 0 386.517 2.860 50 0 GFAARO CC[NH+](CC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000002107001 208501526 /nfs/dbraw/zinc/50/15/26/208501526.db2.gz DYHWWMWUDDFWMO-IBGZPJMESA-N 1 0 396.535 2.730 50 0 GFAARO Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000230109616 209003508 /nfs/dbraw/zinc/00/35/08/209003508.db2.gz KNNXOVNYLSQPBB-IAGOWNOFSA-N 1 0 375.513 2.846 50 0 GFAARO COCCN(C)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3OC)C2)cn1 ZINC000239869306 209018855 /nfs/dbraw/zinc/01/88/55/209018855.db2.gz CYAZSJDNAQCQLC-LJQANCHMSA-N 1 0 384.524 2.789 50 0 GFAARO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607042 221365831 /nfs/dbraw/zinc/36/58/31/221365831.db2.gz UYFKRXIXCLHKQF-UHFFFAOYSA-N 1 0 395.503 2.914 50 0 GFAARO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[NH+](C)C)cc1 ZINC000040063377 132393535 /nfs/dbraw/zinc/39/35/35/132393535.db2.gz SQZQWUALCUEUKL-UXHICEINSA-N 1 0 381.524 2.675 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)CC1 ZINC000040130747 132398564 /nfs/dbraw/zinc/39/85/64/132398564.db2.gz KXSPWNMRHPKNQQ-UHFFFAOYSA-N 1 0 393.553 2.515 50 0 GFAARO O=C1CCCN1CC[C@H]1CCCCN1c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065531792 136164150 /nfs/dbraw/zinc/16/41/50/136164150.db2.gz RLUFYKDTBWYWKL-CQSZACIVSA-N 1 0 385.537 2.708 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC000071747174 136165951 /nfs/dbraw/zinc/16/59/51/136165951.db2.gz SSHJPTRRPGXBJO-INIZCTEOSA-N 1 0 379.508 2.589 50 0 GFAARO Cc1cc(C)cc(N2CCN(C(=O)c3ccc([C@H]4CC[NH2+]C4)cc3)CC2=O)c1 ZINC000072158390 136167191 /nfs/dbraw/zinc/16/71/91/136167191.db2.gz UUISWGFUISSURH-FQEVSTJZSA-N 1 0 377.488 2.869 50 0 GFAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(c2ccccc2)C(=O)C1 ZINC000082096563 136173521 /nfs/dbraw/zinc/17/35/21/136173521.db2.gz DGYQRGDQGZFUSU-OAQYLSRUSA-N 1 0 377.488 2.917 50 0 GFAARO CCc1cc(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)nc(N(C)C)[nH+]1 ZINC000095363190 136178018 /nfs/dbraw/zinc/17/80/18/136178018.db2.gz UCQAAAMLZUYIJS-SFHVURJKSA-N 1 0 379.508 2.748 50 0 GFAARO CSc1nccc(N2CCC([NH2+]Cc3nc(C)c4c(n3)CCCC4)CC2)n1 ZINC000095366684 136178240 /nfs/dbraw/zinc/17/82/40/136178240.db2.gz GHWGLCOWZYIOOV-UHFFFAOYSA-N 1 0 384.553 2.934 50 0 GFAARO O=C(c1ccccc1N1CCOCC1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095382997 136178715 /nfs/dbraw/zinc/17/87/15/136178715.db2.gz JBUMLHDBASKOOA-WOJBJXKFSA-N 1 0 383.536 2.860 50 0 GFAARO O[C@@H]1CN(Cc2ccccc2)CC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000095513026 136180626 /nfs/dbraw/zinc/18/06/26/136180626.db2.gz PXNAEJYLMYDWPM-OAQYLSRUSA-N 1 0 383.511 2.973 50 0 GFAARO CN(C)c1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cn[nH+]1 ZINC000206723761 136199355 /nfs/dbraw/zinc/19/93/55/136199355.db2.gz IHDCFFCWGBMPPU-UHFFFAOYSA-N 1 0 379.386 2.524 50 0 GFAARO O=C(Nc1ccccc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697968 136199862 /nfs/dbraw/zinc/19/98/62/136199862.db2.gz HUIXNOGSSXNEEE-UHFFFAOYSA-N 1 0 375.436 2.969 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)c(C)c1C ZINC000106962100 136201704 /nfs/dbraw/zinc/20/17/04/136201704.db2.gz PMBDOTLUMQPOBU-GOSISDBHSA-N 1 0 395.507 2.657 50 0 GFAARO CCCOc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1OC ZINC000020968227 551116130 /nfs/dbraw/zinc/11/61/30/551116130.db2.gz SLFCQRHLEZPOIE-UHFFFAOYSA-N 1 0 387.318 2.668 50 0 GFAARO CN(C(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000040355258 551134315 /nfs/dbraw/zinc/13/43/15/551134315.db2.gz BPSNDKPBOHVWSH-ZDUSSCGKSA-N 1 0 378.885 2.825 50 0 GFAARO COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000225478744 553059804 /nfs/dbraw/zinc/05/98/04/553059804.db2.gz OLEAOOPOSYLPQL-OAHLLOKOSA-N 1 0 393.347 2.808 50 0 GFAARO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653082117 565954471 /nfs/dbraw/zinc/95/44/71/565954471.db2.gz JTLYGFCHHMRYRO-GJZGRUSLSA-N 1 0 390.285 2.558 50 0 GFAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000046147544 570213796 /nfs/dbraw/zinc/21/37/96/570213796.db2.gz GDUXBECIWOUMIQ-SJORKVTESA-N 1 0 377.554 2.896 50 0 GFAARO O=C(COc1coc(C[NH+]2CCCC2)cc1=O)NCc1ccccc1Cl ZINC000049544976 570268649 /nfs/dbraw/zinc/26/86/49/570268649.db2.gz WOUGQHYULZCSTR-UHFFFAOYSA-N 1 0 376.840 2.584 50 0 GFAARO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C ZINC000071890363 570275081 /nfs/dbraw/zinc/27/50/81/570275081.db2.gz MYZSEWOTIACDRJ-HNNXBMFYSA-N 1 0 397.523 2.641 50 0 GFAARO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012887459 570285109 /nfs/dbraw/zinc/28/51/09/570285109.db2.gz XHHPTJBAVPOQDK-QGZVFWFLSA-N 1 0 392.503 2.746 50 0 GFAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000009620634 570299283 /nfs/dbraw/zinc/29/92/83/570299283.db2.gz YLFLUTHNEIKVPZ-GOSISDBHSA-N 1 0 395.507 2.501 50 0 GFAARO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2n1 ZINC000216385080 570300569 /nfs/dbraw/zinc/30/05/69/570300569.db2.gz QJQZAXOGHWJKNU-LBPRGKRZSA-N 1 0 381.402 2.755 50 0 GFAARO CN(C(=O)c1nc(CCc2ccccc2)n(-c2ccccc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000034911679 570341057 /nfs/dbraw/zinc/34/10/57/570341057.db2.gz BABQQYXYUZFGQT-HXUWFJFHSA-N 1 0 389.503 2.829 50 0 GFAARO C[N@@H+]1CCCN(C(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000034911667 570341076 /nfs/dbraw/zinc/34/10/76/570341076.db2.gz ODJZGUIITDVDTM-UHFFFAOYSA-N 1 0 389.503 2.830 50 0 GFAARO Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000035536322 570390538 /nfs/dbraw/zinc/39/05/38/570390538.db2.gz LYXRQRIUJYQJGP-UHFFFAOYSA-N 1 0 376.888 2.671 50 0 GFAARO O=C(COc1ccccc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004703420 570395393 /nfs/dbraw/zinc/39/53/93/570395393.db2.gz GNONEPHBWLRCCP-UHFFFAOYSA-N 1 0 379.504 2.879 50 0 GFAARO Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000012987212 570407672 /nfs/dbraw/zinc/40/76/72/570407672.db2.gz GZKKWAGTFCNASD-SFHVURJKSA-N 1 0 395.532 2.961 50 0 GFAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1ccccc1OCc1ccccc1 ZINC000222994877 570435850 /nfs/dbraw/zinc/43/58/50/570435850.db2.gz WPJYTOITDVWNTA-YJSIEXFISA-N 1 0 380.488 2.642 50 0 GFAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)CCc2ccc(F)cc2F)CC1 ZINC000223144094 570446804 /nfs/dbraw/zinc/44/68/04/570446804.db2.gz LEQLHCVLJHHNHH-LJQANCHMSA-N 1 0 379.495 2.916 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000054307259 570493249 /nfs/dbraw/zinc/49/32/49/570493249.db2.gz XYTFWCKCQCFEJG-UHFFFAOYSA-N 1 0 378.476 2.611 50 0 GFAARO CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1=O ZINC000022696996 570529658 /nfs/dbraw/zinc/52/96/58/570529658.db2.gz KXWJHPORDOIBTI-LJQANCHMSA-N 1 0 375.900 2.872 50 0 GFAARO COc1ccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096072 570533971 /nfs/dbraw/zinc/53/39/71/570533971.db2.gz HIYGWWDUHAFGRT-OALUTQOASA-N 1 0 381.513 2.718 50 0 GFAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COCc1ccccc1 ZINC000036095030 570534116 /nfs/dbraw/zinc/53/41/16/570534116.db2.gz MTVZOILCBXWJIQ-FQEVSTJZSA-N 1 0 389.492 2.730 50 0 GFAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccccc1 ZINC000036097101 570535551 /nfs/dbraw/zinc/53/55/51/570535551.db2.gz KHXFIFVRGUIPLB-HXUWFJFHSA-N 1 0 389.492 2.730 50 0 GFAARO COCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036100147 570537910 /nfs/dbraw/zinc/53/79/10/570537910.db2.gz ISICPHOVZTYSAM-SFHVURJKSA-N 1 0 375.465 2.592 50 0 GFAARO Cc1ccc(N2C[C@@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1F ZINC000040047304 570543745 /nfs/dbraw/zinc/54/37/45/570543745.db2.gz FHAVVXFAEOBHMZ-IRXDYDNUSA-N 1 0 375.488 2.868 50 0 GFAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984077 570572518 /nfs/dbraw/zinc/57/25/18/570572518.db2.gz BWELOWBIWBAQHF-ZHZULCJRSA-N 1 0 377.444 2.884 50 0 GFAARO CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)cn1 ZINC000039430504 570591477 /nfs/dbraw/zinc/59/14/77/570591477.db2.gz TVUOHUFFLPFWEW-MRXNPFEDSA-N 1 0 386.496 2.562 50 0 GFAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(OC)c1OC ZINC000039442175 570591574 /nfs/dbraw/zinc/59/15/74/570591574.db2.gz YNISJVBQUPLRNJ-GOSISDBHSA-N 1 0 378.513 2.524 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000006798514 570599594 /nfs/dbraw/zinc/59/95/94/570599594.db2.gz XPPNIZDBURKXBI-HDICACEKSA-N 1 0 387.524 2.676 50 0 GFAARO COc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720568 570605401 /nfs/dbraw/zinc/60/54/01/570605401.db2.gz YOBVMNCNIJQHKC-UHFFFAOYSA-N 1 0 378.900 2.908 50 0 GFAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccccc3F)CC2)N(C)C1=O ZINC000096211059 570607482 /nfs/dbraw/zinc/60/74/82/570607482.db2.gz QEDSURJYXJAIJR-CJNGLKHVSA-N 1 0 378.517 2.791 50 0 GFAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000062373287 570620992 /nfs/dbraw/zinc/62/09/92/570620992.db2.gz KZIDNGFAHOONMA-UHFFFAOYSA-N 1 0 386.418 2.627 50 0 GFAARO CC1=C(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)OCCO1 ZINC000012205075 570625932 /nfs/dbraw/zinc/62/59/32/570625932.db2.gz SIDZWQUUPJFKCB-UHFFFAOYSA-N 1 0 376.472 2.817 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840408 570641347 /nfs/dbraw/zinc/64/13/47/570641347.db2.gz YANBKOFXHYRDGV-CQSZACIVSA-N 1 0 388.537 2.707 50 0 GFAARO CN(Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)Cc1ccncn1 ZINC000012387517 570651982 /nfs/dbraw/zinc/65/19/82/570651982.db2.gz LBGQORPNKFFKJC-OAQYLSRUSA-N 1 0 384.524 2.724 50 0 GFAARO Cc1c2cc(C)ccc2oc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000012439520 570663477 /nfs/dbraw/zinc/66/34/77/570663477.db2.gz INDAOJMAGSFCIA-UHFFFAOYSA-N 1 0 383.492 2.996 50 0 GFAARO CCC(=O)Nc1ccc(OCC(=O)N(C)C[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000055120058 570683919 /nfs/dbraw/zinc/68/39/19/570683919.db2.gz XCVXEGXEQWBKIP-QGZVFWFLSA-N 1 0 375.513 2.850 50 0 GFAARO COCC[NH+]1CCC(C[N@H+](C)[C@@H](C(=O)[O-])c2ccc(OC(C)C)cc2)CC1 ZINC000055386501 570693647 /nfs/dbraw/zinc/69/36/47/570693647.db2.gz UQGAOENYGUQGST-HXUWFJFHSA-N 1 0 378.513 2.890 50 0 GFAARO CCCc1cc(CNC(=O)c2ccc(N3CCC[N@@H+](CCC)CC3)nc2)on1 ZINC000012707394 570701129 /nfs/dbraw/zinc/70/11/29/570701129.db2.gz ZIPDHMFJASRXGT-UHFFFAOYSA-N 1 0 385.512 2.874 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[N@H+](C)[C@@H](C)C3)nc2)cc1 ZINC000012714865 570703770 /nfs/dbraw/zinc/70/37/70/570703770.db2.gz WIZCHKGSKCVKOS-KRWDZBQOSA-N 1 0 382.508 2.593 50 0 GFAARO C[N@@H+]1CCCN(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000036435384 570706193 /nfs/dbraw/zinc/70/61/93/570706193.db2.gz CVKJKOAIAPILOP-IBGZPJMESA-N 1 0 375.563 2.921 50 0 GFAARO COc1ccc(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)c(OC)c1 ZINC000065257261 570755833 /nfs/dbraw/zinc/75/58/33/570755833.db2.gz HHQDINADUDVVBV-UHFFFAOYSA-N 1 0 386.496 2.714 50 0 GFAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2c(F)cccc2F)[nH+]1 ZINC000067601859 570782595 /nfs/dbraw/zinc/78/25/95/570782595.db2.gz AWDNKGJFIWIEIH-UHFFFAOYSA-N 1 0 375.423 2.895 50 0 GFAARO CC(C)NC(=O)[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000067677143 570785973 /nfs/dbraw/zinc/78/59/73/570785973.db2.gz OVXHWIYMSGVRJJ-OAHLLOKOSA-N 1 0 375.517 2.562 50 0 GFAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cnc2c(c1)CCC2 ZINC000067688569 570786359 /nfs/dbraw/zinc/78/63/59/570786359.db2.gz WPUFAWHJPYSWEO-DEOSSOPVSA-N 1 0 393.531 2.646 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)Cc3ccccc3)C2=O)c1 ZINC000067723184 570787840 /nfs/dbraw/zinc/78/78/40/570787840.db2.gz OWUDEYCSVAHZAN-QFIPXVFZSA-N 1 0 386.467 2.820 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3ccc(C)cc3)C2=O)c1OC ZINC000067909515 570796833 /nfs/dbraw/zinc/79/68/33/570796833.db2.gz KVUCKOPRCDJUDU-QHCPKHFHSA-N 1 0 398.503 2.656 50 0 GFAARO O=C1N[C@@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067934686 570797404 /nfs/dbraw/zinc/79/74/04/570797404.db2.gz PGQUVSUKFWOBHA-QHCPKHFHSA-N 1 0 392.503 2.895 50 0 GFAARO COc1ccccc1-n1cc(C2=CC[N@H+](C[C@H](C)N3CCOCC3)CC2)cn1 ZINC000067956020 570798649 /nfs/dbraw/zinc/79/86/49/570798649.db2.gz ZTNBQHMAOKKDDE-SFHVURJKSA-N 1 0 382.508 2.691 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000031654037 570819296 /nfs/dbraw/zinc/81/92/96/570819296.db2.gz GTZAZBOPPKQQDF-OAHLLOKOSA-N 1 0 393.553 2.919 50 0 GFAARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1O ZINC000012507763 570823777 /nfs/dbraw/zinc/82/37/77/570823777.db2.gz COWMOWYWFATZRB-SFHVURJKSA-N 1 0 379.420 2.616 50 0 GFAARO COCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071524746 570839613 /nfs/dbraw/zinc/83/96/13/570839613.db2.gz IVYMXKDMGKDSBB-NRFANRHFSA-N 1 0 387.568 2.510 50 0 GFAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043940954 570842049 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GFAARO COc1c(C)cnc(Cn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1C ZINC000072121086 570867152 /nfs/dbraw/zinc/86/71/52/570867152.db2.gz LPVJMHICHFSHRJ-KRWDZBQOSA-N 1 0 393.491 2.570 50 0 GFAARO Cc1nn(CCO)cc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072127441 570867647 /nfs/dbraw/zinc/86/76/47/570867647.db2.gz PKECWJZUAZJKPE-YTFSRNRJSA-N 1 0 380.536 2.554 50 0 GFAARO CC(C)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072145691 570871610 /nfs/dbraw/zinc/87/16/10/570871610.db2.gz HTRJABXFMDEEOK-JOCHJYFZSA-N 1 0 393.531 2.781 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCN2CCCC2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072153127 570873718 /nfs/dbraw/zinc/87/37/18/570873718.db2.gz QNYXCLFQXFDKKF-FQEVSTJZSA-N 1 0 389.515 2.897 50 0 GFAARO O[C@H]1[C@H](n2cc(-c3cc(F)cc(F)c3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072159443 570875108 /nfs/dbraw/zinc/87/51/08/570875108.db2.gz YBSNEJQQRGLRHC-UXHICEINSA-N 1 0 382.414 2.808 50 0 GFAARO 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Cc1cnc(-c2ccc(C(=O)N(C)C[C@]3(C)CC[N@H+](C)C3)cc2)nc1N(C)C ZINC000426615174 231246183 /nfs/dbraw/zinc/24/61/83/231246183.db2.gz PTPGCEUVNMKBJM-JOCHJYFZSA-N 1 0 381.524 2.932 50 0 GFAARO Cc1cccc2[nH]c(CCNC(=O)N3CC[NH+](C4CCSCC4)CC3)nc21 ZINC000426470660 231223336 /nfs/dbraw/zinc/22/33/36/231223336.db2.gz ODLKUNHRZWWOMM-UHFFFAOYSA-N 1 0 387.553 2.637 50 0 GFAARO CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)c1 ZINC000426550031 529942934 /nfs/dbraw/zinc/94/29/34/529942934.db2.gz NXRDRVXVXULZFR-UHFFFAOYSA-N 1 0 381.476 2.546 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCC1=O ZINC000012196584 206867874 /nfs/dbraw/zinc/86/78/74/206867874.db2.gz YSNSCYHVBNYFEM-GOSISDBHSA-N 1 0 391.943 2.675 50 0 GFAARO O=C(N[C@H]1CCOC1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012436223 206897445 /nfs/dbraw/zinc/89/74/45/206897445.db2.gz XLUJFOXWXWFVCJ-SFHVURJKSA-N 1 0 381.476 2.644 50 0 GFAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014543547 207023945 /nfs/dbraw/zinc/02/39/45/207023945.db2.gz RGLDEABHMSVYKK-LJQANCHMSA-N 1 0 395.551 2.956 50 0 GFAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014530346 207022420 /nfs/dbraw/zinc/02/24/20/207022420.db2.gz IRTOKRRXKTWPJC-UHFFFAOYSA-N 1 0 384.505 2.962 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH+]1CCSCC1)C2 ZINC000014534806 207023991 /nfs/dbraw/zinc/02/39/91/207023991.db2.gz FCYDURMCDIWEFW-HNNXBMFYSA-N 1 0 388.537 2.674 50 0 GFAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014533937 207024177 /nfs/dbraw/zinc/02/41/77/207024177.db2.gz GSNZIFICMBUPOI-UHFFFAOYSA-N 1 0 389.544 2.721 50 0 GFAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014733588 207027353 /nfs/dbraw/zinc/02/73/53/207027353.db2.gz KBWVJFMZKPZSIQ-UHFFFAOYSA-N 1 0 392.503 2.943 50 0 GFAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014733333 207027815 /nfs/dbraw/zinc/02/78/15/207027815.db2.gz OLUVBRLTRQQPTE-UHFFFAOYSA-N 1 0 388.537 2.596 50 0 GFAARO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000015074479 207046144 /nfs/dbraw/zinc/04/61/44/207046144.db2.gz FGLPWWTWLDFUIR-UHFFFAOYSA-N 1 0 376.464 2.556 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cscn3)C2)cc1OC ZINC000015078792 207046531 /nfs/dbraw/zinc/04/65/31/207046531.db2.gz KIWUNXOYBGDYJA-INIZCTEOSA-N 1 0 389.521 2.939 50 0 GFAARO CCOC(=O)CN(C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015069025 207044054 /nfs/dbraw/zinc/04/40/54/207044054.db2.gz SRLBBHOHUQMVAQ-FQEVSTJZSA-N 1 0 392.540 2.686 50 0 GFAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ncc(Br)cn2n1 ZINC000015319697 207049742 /nfs/dbraw/zinc/04/97/42/207049742.db2.gz JHZKYSMXDNEOKP-WFASDCNBSA-N 1 0 393.285 2.913 50 0 GFAARO COc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)c1 ZINC000018244414 207096926 /nfs/dbraw/zinc/09/69/26/207096926.db2.gz PZSPJUCRSISKDJ-HXUWFJFHSA-N 1 0 377.444 2.949 50 0 GFAARO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccn(Cc4ccc(F)c(F)c4)n3)o2)CC1=O ZINC000019840723 207166334 /nfs/dbraw/zinc/16/63/34/207166334.db2.gz AUMUNYVUDGLORE-AWEZNQCLSA-N 1 0 386.402 2.790 50 0 GFAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CC)CC1)C[C@H](C)CC2 ZINC000019792110 207160975 /nfs/dbraw/zinc/16/09/75/207160975.db2.gz SFTUPUGBURZIJK-CQSZACIVSA-N 1 0 393.553 2.626 50 0 GFAARO c1ccc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc1 ZINC000019810698 207162251 /nfs/dbraw/zinc/16/22/51/207162251.db2.gz GYVXTWJGESOZDA-NRFANRHFSA-N 1 0 394.519 2.593 50 0 GFAARO O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CC[NH2+]CC1)c1ccccc1 ZINC000019810995 207162986 /nfs/dbraw/zinc/16/29/86/207162986.db2.gz DFHHBGRWPZJXGB-FCHUYYIVSA-N 1 0 393.512 2.819 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@@H]2CCO)cc1 ZINC000019794815 207163708 /nfs/dbraw/zinc/16/37/08/207163708.db2.gz NVRQJRPXXHOVTD-IBGZPJMESA-N 1 0 396.491 2.690 50 0 GFAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000020220134 207183764 /nfs/dbraw/zinc/18/37/64/207183764.db2.gz DBTACQHFBNCWFW-UHFFFAOYSA-N 1 0 382.346 2.670 50 0 GFAARO Cc1ccnc(NCC[NH2+]C2CCN(c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000020209165 207184187 /nfs/dbraw/zinc/18/41/87/207184187.db2.gz JVDOUCCNSXMFSL-UHFFFAOYSA-N 1 0 394.523 2.590 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)CC1 ZINC000020451065 207193504 /nfs/dbraw/zinc/19/35/04/207193504.db2.gz SJPKLAUFTLLOCJ-FQEVSTJZSA-N 1 0 381.511 2.706 50 0 GFAARO Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1C ZINC000020614322 207207427 /nfs/dbraw/zinc/20/74/27/207207427.db2.gz XUAINVFDTHQNOS-FQEVSTJZSA-N 1 0 395.503 2.751 50 0 GFAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN1Cc1cccc2ccccc21 ZINC000020919123 207219369 /nfs/dbraw/zinc/21/93/69/207219369.db2.gz ZFIJTWHNBJLVCK-GGAORHGYSA-N 1 0 394.563 2.603 50 0 GFAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)CCN2CCOCC2)CC1 ZINC000020733982 207212166 /nfs/dbraw/zinc/21/21/66/207212166.db2.gz IKXXVJFIEJBSKH-UHFFFAOYSA-N 1 0 390.597 2.674 50 0 GFAARO CCC[NH+]1CCN(C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)CC1 ZINC000020755933 207212732 /nfs/dbraw/zinc/21/27/32/207212732.db2.gz KOYUTENQTRSFPN-UHFFFAOYSA-N 1 0 396.516 2.679 50 0 GFAARO CCOc1ccc(-n2nnc(C(=O)NCCC[NH+]3CCC(C)CC3)c2C)cc1 ZINC000021178218 207228056 /nfs/dbraw/zinc/22/80/56/207228056.db2.gz DOXFRXVELNZUJO-UHFFFAOYSA-N 1 0 385.512 2.826 50 0 GFAARO CN1CC[NH+](CCCNc2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714538 207235230 /nfs/dbraw/zinc/23/52/30/207235230.db2.gz KODNTQQLBYJEDR-UHFFFAOYSA-N 1 0 386.887 2.988 50 0 GFAARO CCC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccc(OC)cc3)n2)CC1 ZINC000021929394 207243187 /nfs/dbraw/zinc/24/31/87/207243187.db2.gz ITHIDCHTCTUALA-UHFFFAOYSA-N 1 0 395.511 2.516 50 0 GFAARO CC(C)NC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759797 207259937 /nfs/dbraw/zinc/25/99/37/207259937.db2.gz RSTBNMADWDWMRZ-KRWDZBQOSA-N 1 0 388.537 2.988 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000023005917 207267789 /nfs/dbraw/zinc/26/77/89/207267789.db2.gz XTDSZVZDJCNNJO-UHFFFAOYSA-N 1 0 381.476 2.666 50 0 GFAARO COc1ccccc1-c1nnc(SC[C@@H]2C[N@H+](CC(C)C)CCO2)n1C ZINC000023731875 207281173 /nfs/dbraw/zinc/28/11/73/207281173.db2.gz UQFUPNUZJKRYRZ-HNNXBMFYSA-N 1 0 376.526 2.940 50 0 GFAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1nc(C)c2ccccc2c1=O)c1ccccc1 ZINC000024983705 207299010 /nfs/dbraw/zinc/29/90/10/207299010.db2.gz DKKHZOYPINPANO-NRFANRHFSA-N 1 0 392.503 2.904 50 0 GFAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000025765586 207306094 /nfs/dbraw/zinc/30/60/94/207306094.db2.gz DCPNWMCPQBQZQR-JTSKRJEESA-N 1 0 397.494 2.766 50 0 GFAARO Cc1ccc(C2N=NC(=S)N2CC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000027412981 207325538 /nfs/dbraw/zinc/32/55/38/207325538.db2.gz WKXNVGYQEVTYDW-UHFFFAOYSA-N 1 0 387.553 2.923 50 0 GFAARO COc1ccccc1[C@@H](CNC(=O)Cn1c2ccccc2oc1=O)[NH+]1CCCC1 ZINC000027570055 207327015 /nfs/dbraw/zinc/32/70/15/207327015.db2.gz MIWLMMWCANTFFK-GOSISDBHSA-N 1 0 395.459 2.556 50 0 GFAARO COc1ccccc1[C@H](CNC(=O)CNC(=O)c1cccc(C)c1)[NH+]1CCCC1 ZINC000027571592 207327240 /nfs/dbraw/zinc/32/72/40/207327240.db2.gz YWQAUMIXQULSGM-FQEVSTJZSA-N 1 0 395.503 2.687 50 0 GFAARO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(OCCO)cc2Br)CC1 ZINC000030670987 207374262 /nfs/dbraw/zinc/37/42/62/207374262.db2.gz DMTARLIDLMIQEV-UHFFFAOYSA-N 1 0 399.329 2.557 50 0 GFAARO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(=O)n(C)c(=O)n2C)cc1OCCC ZINC000032865626 207414028 /nfs/dbraw/zinc/41/40/28/207414028.db2.gz VCGGMXBTYNJUGO-HNNXBMFYSA-N 1 0 389.496 2.512 50 0 GFAARO COCCn1nc(C)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000058172225 207767332 /nfs/dbraw/zinc/76/73/32/207767332.db2.gz RLHOWUHIRFGIKZ-HXUWFJFHSA-N 1 0 393.576 2.846 50 0 GFAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCC(O)(c4cccnc4)CC3)cc2c1 ZINC000067785482 207906294 /nfs/dbraw/zinc/90/62/94/207906294.db2.gz ULACMWLVMUDWEY-UHFFFAOYSA-N 1 0 379.460 2.805 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077516330 208049008 /nfs/dbraw/zinc/04/90/08/208049008.db2.gz HHFGPYLLPDMTKC-QHCPKHFHSA-N 1 0 385.552 2.848 50 0 GFAARO C[C@@H](Cn1cccn1)[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072410848 208018288 /nfs/dbraw/zinc/01/82/88/208018288.db2.gz CLGVNCHKKZDDQP-SFHVURJKSA-N 1 0 384.480 2.637 50 0 GFAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)c3ccco3)CC2)OC1=O ZINC000072426393 208022108 /nfs/dbraw/zinc/02/21/08/208022108.db2.gz YQWHGIMYSLPSPT-UHFFFAOYSA-N 1 0 377.485 2.685 50 0 GFAARO CCN1CC2(CC1=O)CC[NH+](Cc1ccc(OCCn3ccnc3)cc1)CC2 ZINC000072428022 208022933 /nfs/dbraw/zinc/02/29/33/208022933.db2.gz QRXAUCODZLKNDQ-UHFFFAOYSA-N 1 0 382.508 2.797 50 0 GFAARO CN(Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3)C2)o1)S(C)(=O)=O ZINC000072430341 208025965 /nfs/dbraw/zinc/02/59/65/208025965.db2.gz PVDADBNMNOQAMO-KRWDZBQOSA-N 1 0 390.505 2.766 50 0 GFAARO O=C(CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1)N1CCCC1 ZINC000072458239 208026728 /nfs/dbraw/zinc/02/67/28/208026728.db2.gz FJEKJRLESIZVDD-HSZRJFAPSA-N 1 0 383.536 2.904 50 0 GFAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000077252003 208035754 /nfs/dbraw/zinc/03/57/54/208035754.db2.gz SCVCLAZRWKIHSQ-UHFFFAOYSA-N 1 0 389.927 2.935 50 0 GFAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)CN1CCO ZINC000077301597 208038926 /nfs/dbraw/zinc/03/89/26/208038926.db2.gz QMWCMXIDNBQTMK-HSZRJFAPSA-N 1 0 379.504 2.946 50 0 GFAARO COc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091656041 208128009 /nfs/dbraw/zinc/12/80/09/208128009.db2.gz OUJDGPFTPUFDGD-JOCHJYFZSA-N 1 0 382.508 2.866 50 0 GFAARO O=C(CCC[NH+]1CCCC1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091656582 208128221 /nfs/dbraw/zinc/12/82/21/208128221.db2.gz JJVFUELWJVPXTK-UHFFFAOYSA-N 1 0 398.551 2.689 50 0 GFAARO COc1ccc([C@H]2CN(C(=O)c3ccc(CCC(C)(C)O)cc3)C[C@@H]2[NH3+])cc1 ZINC000091625835 208128976 /nfs/dbraw/zinc/12/89/76/208128976.db2.gz WVOCIEOBISQBHA-RTWAWAEBSA-N 1 0 382.504 2.966 50 0 GFAARO CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cc1 ZINC000091625577 208129821 /nfs/dbraw/zinc/12/98/21/208129821.db2.gz IPOBTYHVTAUWMU-RBUKOAKNSA-N 1 0 382.508 2.782 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C(C)(C)[NH3+] ZINC000091305961 208113649 /nfs/dbraw/zinc/11/36/49/208113649.db2.gz UODZZNJOVITTJC-KRWDZBQOSA-N 1 0 381.524 2.980 50 0 GFAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc3ccccc3s2)C1 ZINC000091847181 208139406 /nfs/dbraw/zinc/13/94/06/208139406.db2.gz FNLYXCUJRLJBTL-CVEARBPZSA-N 1 0 376.522 2.550 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)CCCc3cccs3)CC[N@@H+]2C)CCC1=O ZINC000095353939 208157878 /nfs/dbraw/zinc/15/78/78/208157878.db2.gz PQUSLJHJQHOUQH-FQEVSTJZSA-N 1 0 377.554 2.616 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)Nc3ccc(F)c(F)c3)CC[N@@H+]2C)CCC1=O ZINC000095359715 208160405 /nfs/dbraw/zinc/16/04/05/208160405.db2.gz QKDKYWYVOUONGH-IBGZPJMESA-N 1 0 380.439 2.515 50 0 GFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000095370833 208166181 /nfs/dbraw/zinc/16/61/81/208166181.db2.gz STAOWWQBWYRCIQ-FQEVSTJZSA-N 1 0 377.504 2.613 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1nc3c(ccc(C)c3C)[nH]1)C2 ZINC000095371316 208167471 /nfs/dbraw/zinc/16/74/71/208167471.db2.gz VNKBNQPBUUMZRT-QZTJIDSGSA-N 1 0 384.524 2.682 50 0 GFAARO Cc1cc(C)c2c(ncnc2NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000095372995 208168852 /nfs/dbraw/zinc/16/88/52/208168852.db2.gz KQZAFJSOLRVELR-UHFFFAOYSA-N 1 0 376.508 2.871 50 0 GFAARO CNc1cc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095373779 208169652 /nfs/dbraw/zinc/16/96/52/208169652.db2.gz SFABOKXSCHNQJK-CEMLEFRQSA-N 1 0 392.503 2.834 50 0 GFAARO Cc1cccc(N2C[C@@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)CC2=O)c1 ZINC000095383045 208173362 /nfs/dbraw/zinc/17/33/62/208173362.db2.gz ZZTGGATWYUVJCJ-SFHVURJKSA-N 1 0 381.476 2.722 50 0 GFAARO Cc1n[nH]c(C)c1CCC(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091914858 208140539 /nfs/dbraw/zinc/14/05/39/208140539.db2.gz TXKIPABGCBEVQJ-UHFFFAOYSA-N 1 0 384.528 2.620 50 0 GFAARO CC1(C)C[N@H+](Cc2ccc(OCCCN3CCOCC3)cc2)CC[C@]1(C)O ZINC000092045788 208146531 /nfs/dbraw/zinc/14/65/31/208146531.db2.gz XVLQMWUXQCKFGV-QFIPXVFZSA-N 1 0 376.541 2.771 50 0 GFAARO Cc1cc(N2CCCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)cc[nH+]1 ZINC000092001463 208147775 /nfs/dbraw/zinc/14/77/75/208147775.db2.gz LOFSTZFOZMPZSF-UHFFFAOYSA-N 1 0 375.476 2.987 50 0 GFAARO O=C(c1ccccc1-c1nc[nH]n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095354153 208157024 /nfs/dbraw/zinc/15/70/24/208157024.db2.gz MYOFGZXTYHKVEZ-FUHWJXTLSA-N 1 0 388.475 2.603 50 0 GFAARO CCCOc1c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cccc1OCC ZINC000095430503 208182338 /nfs/dbraw/zinc/18/23/38/208182338.db2.gz BQJGPRDTDXKQOT-INIZCTEOSA-N 1 0 384.542 2.635 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000095501888 208202024 /nfs/dbraw/zinc/20/20/24/208202024.db2.gz KDAAMLICAGRNEA-QGZVFWFLSA-N 1 0 396.915 2.738 50 0 GFAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cc(C(C)C)no3)CC2)CC1 ZINC000095512469 208214582 /nfs/dbraw/zinc/21/45/82/208214582.db2.gz ITTYMTLQFZJWRV-UHFFFAOYSA-N 1 0 376.545 2.954 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095517537 208218216 /nfs/dbraw/zinc/21/82/16/208218216.db2.gz KZKPKIKUHXXREH-SFHVURJKSA-N 1 0 385.483 2.551 50 0 GFAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000095522284 208219437 /nfs/dbraw/zinc/21/94/37/208219437.db2.gz SEDZIQIAEHVFJO-HXUWFJFHSA-N 1 0 394.475 2.803 50 0 GFAARO NC(=O)Cn1ccnc1C1CC[NH+](Cc2cccc(F)c2C(F)(F)F)CC1 ZINC000095520758 208221276 /nfs/dbraw/zinc/22/12/76/208221276.db2.gz WXTBMTKFWPRKAN-UHFFFAOYSA-N 1 0 384.377 2.906 50 0 GFAARO O=C(C[NH+]1CCC(c2nnc3ccccn32)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000095958654 208244399 /nfs/dbraw/zinc/24/43/99/208244399.db2.gz IVJDEWVCULLARD-OAHLLOKOSA-N 1 0 395.429 2.710 50 0 GFAARO CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095957378 208244915 /nfs/dbraw/zinc/24/49/15/208244915.db2.gz BCHKSCLZJLZPLQ-LJQANCHMSA-N 1 0 389.565 2.960 50 0 GFAARO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CC[C@H](Cc4ccncc4)C3)CC2)c1 ZINC000096012789 208253066 /nfs/dbraw/zinc/25/30/66/208253066.db2.gz ZMQKDFKMZJAMDT-HSZRJFAPSA-N 1 0 392.547 2.599 50 0 GFAARO Cc1cc(N2CCCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)CC2)cc[nH+]1 ZINC000096132900 208269479 /nfs/dbraw/zinc/26/94/79/208269479.db2.gz XWHRZVZJEQMZQB-UHFFFAOYSA-N 1 0 381.436 2.579 50 0 GFAARO CCOC(=O)[C@H](Cc1cc(-c2ccccc2Cl)on1)CN1CC[NH+](C)CC1 ZINC000096316085 208307100 /nfs/dbraw/zinc/30/71/00/208307100.db2.gz JELAZEWGZNGTFU-OAHLLOKOSA-N 1 0 391.899 2.964 50 0 GFAARO C[C@H](O)[C@H](NC(=O)C1CC1)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000097102677 208336168 /nfs/dbraw/zinc/33/61/68/208336168.db2.gz DRAJZGYLUVQRGO-KSSFIOAISA-N 1 0 384.480 2.671 50 0 GFAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)CC1 ZINC000096879129 208325814 /nfs/dbraw/zinc/32/58/14/208325814.db2.gz MSFKMTNSYCAMAN-LJQANCHMSA-N 1 0 397.523 2.611 50 0 GFAARO C[NH+](C)C[C@@H](O)Cn1cc(NC(=O)Nc2ccccc2SC(F)F)cn1 ZINC000097577461 208357204 /nfs/dbraw/zinc/35/72/04/208357204.db2.gz IISDNSKXEAKBKL-GFCCVEGCSA-N 1 0 385.440 2.764 50 0 GFAARO Cc1ncccc1C(=O)N1CCC2(CC[NH+](Cc3ccccn3)CC2)[C@H](CO)C1 ZINC000097717456 208360374 /nfs/dbraw/zinc/36/03/74/208360374.db2.gz WMHSRMGEIYRAFH-IBGZPJMESA-N 1 0 394.519 2.522 50 0 GFAARO O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000101317448 208390067 /nfs/dbraw/zinc/39/00/67/208390067.db2.gz PECOTYWKYPEQDY-MKXGPGLRSA-N 1 0 378.403 2.661 50 0 GFAARO Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225575481 208959500 /nfs/dbraw/zinc/95/95/00/208959500.db2.gz DALDOMFXINBKHT-HNNXBMFYSA-N 1 0 395.956 2.921 50 0 GFAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)Nc1cccs1 ZINC000096096331 209010626 /nfs/dbraw/zinc/01/06/26/209010626.db2.gz RHTNHRCTVQGPRP-UHFFFAOYSA-N 1 0 397.504 2.876 50 0 GFAARO Cc1cc(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000241653356 209020612 /nfs/dbraw/zinc/02/06/12/209020612.db2.gz PULFKLCKXJDOFI-OAHLLOKOSA-N 1 0 399.461 2.505 50 0 GFAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(C)nc(N(C)C)n2)CC1 ZINC000242302255 209021810 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GFAARO COc1cccc(C[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]2CCCO2)c1 ZINC000169679393 570600639 /nfs/dbraw/zinc/60/06/39/570600639.db2.gz PQMLOKJYCGFBNC-QUCCMNQESA-N 1 0 375.465 2.847 50 0 GFAARO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1 ZINC000225680748 570602214 /nfs/dbraw/zinc/60/22/14/570602214.db2.gz SUFNZSBFNQAHBB-OLZOCXBDSA-N 1 0 388.434 2.690 50 0 GFAARO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000012075329 570605360 /nfs/dbraw/zinc/60/53/60/570605360.db2.gz MJSWGIUSMCULJR-KRWDZBQOSA-N 1 0 387.455 2.860 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CN1CCCCC1=O ZINC000012076274 570605378 /nfs/dbraw/zinc/60/53/78/570605378.db2.gz FNXFJSBVFLTFFM-SFHVURJKSA-N 1 0 389.515 2.551 50 0 GFAARO COc1cc(Cl)cc(C[NH2+]CCCSc2nnnn2C)c1OC(C)C ZINC000040744634 570613979 /nfs/dbraw/zinc/61/39/79/570613979.db2.gz NBBWYVYXKSMMFS-UHFFFAOYSA-N 1 0 385.921 2.931 50 0 GFAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccnc2)cc1OC ZINC000012151907 570618035 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C[N@H+](CCCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1)C1CCCC1 ZINC000012441543 570664632 /nfs/dbraw/zinc/66/46/32/570664632.db2.gz CKXLTLMUQGTBLA-GOSISDBHSA-N 1 0 389.515 2.945 50 0 GFAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(Nc3ncccn3)c2)C[C@H](C)O1 ZINC000229653519 570665651 /nfs/dbraw/zinc/66/56/51/570665651.db2.gz RVUYQVBEEYAATM-FUHIMQAGSA-N 1 0 395.507 2.934 50 0 GFAARO Cc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000012704285 570699889 /nfs/dbraw/zinc/69/98/89/570699889.db2.gz JKKIOFNINFKYIQ-OAQYLSRUSA-N 1 0 397.563 2.767 50 0 GFAARO CC[C@H](O)CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012712226 570703268 /nfs/dbraw/zinc/70/32/68/570703268.db2.gz GWCLPCFKZCMXCL-QFIPXVFZSA-N 1 0 387.568 2.559 50 0 GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC3CCOCC3)CC2)CC1 ZINC000012746146 570708647 /nfs/dbraw/zinc/70/86/47/570708647.db2.gz NSVWWEBRLWWCNM-UHFFFAOYSA-N 1 0 399.579 2.967 50 0 GFAARO C[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCC(C)CC1 ZINC000058327154 570727364 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2.704 50 0 GFAARO O=C(c1ccc(N2CC[NH2+]CC2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000067641082 570784281 /nfs/dbraw/zinc/78/42/81/570784281.db2.gz OJBNDWNJUOCDCA-UHFFFAOYSA-N 1 0 378.520 2.976 50 0 GFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C[NH+]3CCC(O)CC3)CC2)c1 ZINC000067676183 570785840 /nfs/dbraw/zinc/78/58/40/570785840.db2.gz TXDHOWNRLSISHK-UHFFFAOYSA-N 1 0 382.508 2.548 50 0 GFAARO c1ccc(C[N@H+]2CC[C@@H](NCc3noc(-c4ccc5c(c4)OCO5)n3)C2)cc1 ZINC000067688714 570786365 /nfs/dbraw/zinc/78/63/65/570786365.db2.gz SNTXIFBWGBKRHN-QGZVFWFLSA-N 1 0 378.432 2.829 50 0 GFAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000007109272 570791250 /nfs/dbraw/zinc/79/12/50/570791250.db2.gz BTKIUPBXPKDZBL-UHFFFAOYSA-N 1 0 381.448 2.908 50 0 GFAARO O=C1N[C@](CCCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067817797 570792398 /nfs/dbraw/zinc/79/23/98/570792398.db2.gz RCEAZYIRWBQRRO-HSZRJFAPSA-N 1 0 392.503 2.895 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3cccc(F)c3)C2=O)c1 ZINC000067895407 570796398 /nfs/dbraw/zinc/79/63/98/570796398.db2.gz QEMCIRDRNUQBHN-NRFANRHFSA-N 1 0 390.430 2.617 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc3c(c(Br)c2)OCO3)N1 ZINC000007127100 570799759 /nfs/dbraw/zinc/79/97/59/570799759.db2.gz QDSAKIMVDQPAEM-CQSZACIVSA-N 1 0 386.209 2.624 50 0 GFAARO [NH3+]C1(C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 ZINC000067982443 570799924 /nfs/dbraw/zinc/79/99/24/570799924.db2.gz PHSFORHKFWRDHL-UHFFFAOYSA-N 1 0 381.457 2.881 50 0 GFAARO O=C1N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cncs1 ZINC000067982891 570800021 /nfs/dbraw/zinc/80/00/21/570800021.db2.gz PUTXBXFHQMRNGL-FQEVSTJZSA-N 1 0 384.505 2.566 50 0 GFAARO Cc1nc2c(c(N3CCC(NC(=O)COCc4ccccc4)CC3)n1)CCCC2 ZINC000238849174 570806796 /nfs/dbraw/zinc/80/67/96/570806796.db2.gz JBBHNFMYHHLUKV-UHFFFAOYSA-N 1 0 394.519 2.966 50 0 GFAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795680 570816048 /nfs/dbraw/zinc/81/60/48/570816048.db2.gz SPYJIQIOKNRNCY-NRFANRHFSA-N 1 0 391.515 2.906 50 0 GFAARO O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071551776 570840140 /nfs/dbraw/zinc/84/01/40/570840140.db2.gz MSMNFASLDDKPAZ-FQEVSTJZSA-N 1 0 382.508 2.667 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071749473 570846431 /nfs/dbraw/zinc/84/64/31/570846431.db2.gz HUJQIBYIWSIHKP-HNNXBMFYSA-N 1 0 375.538 2.652 50 0 GFAARO CNS(=O)(=O)c1ccc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc1 ZINC000071754046 570848070 /nfs/dbraw/zinc/84/80/70/570848070.db2.gz LKPREYZAJMUJIL-FQEVSTJZSA-N 1 0 379.570 2.537 50 0 GFAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(CCCF)CC2)C1 ZINC000071770805 570852127 /nfs/dbraw/zinc/85/21/27/570852127.db2.gz ZXQLVJLNBAXKBV-HXUWFJFHSA-N 1 0 375.532 2.881 50 0 GFAARO COCc1c2ccccc2sc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000170598029 570856136 /nfs/dbraw/zinc/85/61/36/570856136.db2.gz WLWKWHALDVBTDW-OAHLLOKOSA-N 1 0 375.538 2.804 50 0 GFAARO CCn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCCCC2)c1=O ZINC000033259814 570868586 /nfs/dbraw/zinc/86/85/86/570868586.db2.gz QPUFLYMONUQEKC-UHFFFAOYSA-N 1 0 388.537 2.501 50 0 GFAARO Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000072161764 570875775 /nfs/dbraw/zinc/87/57/75/570875775.db2.gz DLUYPLOLIDDLAG-LJQANCHMSA-N 1 0 384.524 2.533 50 0 GFAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)C1 ZINC000534578888 570901994 /nfs/dbraw/zinc/90/19/94/570901994.db2.gz IIUWBIQTFBVUIJ-HXUWFJFHSA-N 1 0 375.476 2.770 50 0 GFAARO O=C(NCc1ccccc1Cl)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127451 570912542 /nfs/dbraw/zinc/91/25/42/570912542.db2.gz GSEPGNORQMKWQB-UHFFFAOYSA-N 1 0 399.922 2.985 50 0 GFAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000023127590 570913032 /nfs/dbraw/zinc/91/30/32/570913032.db2.gz ZHYFQNCMGXRPCJ-UHFFFAOYSA-N 1 0 382.526 2.637 50 0 GFAARO CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1 ZINC000534662703 570922046 /nfs/dbraw/zinc/92/20/46/570922046.db2.gz VXBFLKZHTRPTDU-UHFFFAOYSA-N 1 0 376.520 2.917 50 0 GFAARO COc1cccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+](C)C)c1 ZINC000052839540 570950213 /nfs/dbraw/zinc/95/02/13/570950213.db2.gz ZBAPPRIODSBPCE-HXUWFJFHSA-N 1 0 381.476 2.855 50 0 GFAARO NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000025710924 570953600 /nfs/dbraw/zinc/95/36/00/570953600.db2.gz WEMINCDDSBPJCL-UHFFFAOYSA-N 1 0 387.505 2.713 50 0 GFAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000011753796 570961234 /nfs/dbraw/zinc/96/12/34/570961234.db2.gz LESYKIMINXSROZ-HXUWFJFHSA-N 1 0 392.540 2.580 50 0 GFAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)nn3C)nc21 ZINC000012229372 570972151 /nfs/dbraw/zinc/97/21/51/570972151.db2.gz OZGDFBKZRDBVOU-UHFFFAOYSA-N 1 0 387.509 2.945 50 0 GFAARO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(COC)cc3)cn2)CC1 ZINC000252505985 570977802 /nfs/dbraw/zinc/97/78/02/570977802.db2.gz VUQYNTDWHPFXAX-UHFFFAOYSA-N 1 0 383.496 2.692 50 0 GFAARO O=C(Nc1cccc2[nH]ccc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044889934 570982476 /nfs/dbraw/zinc/98/24/76/570982476.db2.gz WNDYWIOLMLYIPG-UHFFFAOYSA-N 1 0 376.460 2.887 50 0 GFAARO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C\c1cc(Br)ccc1F ZINC000606443137 677674368 /nfs/dbraw/zinc/67/43/68/677674368.db2.gz WYBGZQNNWXYBDM-UYBMXSBOSA-N 1 0 385.277 2.515 50 0 GFAARO Cc1cnccc1-c1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000426602573 231245350 /nfs/dbraw/zinc/24/53/50/231245350.db2.gz XMUWQACGMFJQBM-UHFFFAOYSA-N 1 0 378.520 2.909 50 0 GFAARO CN(C)c1ccccc1-c1ccc(C(=O)N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)cc1 ZINC000426656977 529793992 /nfs/dbraw/zinc/79/39/92/529793992.db2.gz QAQSYUWIELTIMQ-CVDCTZTESA-N 1 0 379.504 2.606 50 0 GFAARO O=S(=O)(NC1CC[NH2+]CC1)c1c(Cl)cc(Br)cc1Cl ZINC000034955861 206257086 /nfs/dbraw/zinc/25/70/86/206257086.db2.gz BQKBFKWLBQUDAP-UHFFFAOYSA-N 1 0 388.114 2.786 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000245329440 206281751 /nfs/dbraw/zinc/28/17/51/206281751.db2.gz YYRKTOXXDWIDNM-HKMBFBJRSA-N 1 0 389.883 2.515 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000253413091 206282773 /nfs/dbraw/zinc/28/27/73/206282773.db2.gz SZXNKSQSULNMRW-BHDDXSALSA-N 1 0 397.563 2.801 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000009620417 206795048 /nfs/dbraw/zinc/79/50/48/206795048.db2.gz BHFUVIDUQYUFON-UHFFFAOYSA-N 1 0 394.273 2.535 50 0 GFAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000014742721 207027304 /nfs/dbraw/zinc/02/73/04/207027304.db2.gz DDEBLFCAMZJSIK-GOSISDBHSA-N 1 0 381.524 2.961 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH2+]CCSC)C2 ZINC000014754620 207029181 /nfs/dbraw/zinc/02/91/81/207029181.db2.gz IRUFMPKDAGMYNN-OAHLLOKOSA-N 1 0 376.526 2.578 50 0 GFAARO Cc1cccc(CC(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000014980926 207038342 /nfs/dbraw/zinc/03/83/42/207038342.db2.gz BUICWEUWNMVLKF-IBGZPJMESA-N 1 0 383.536 2.519 50 0 GFAARO C[C@@H](NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1)c1nc[nH]n1 ZINC000015073653 207045388 /nfs/dbraw/zinc/04/53/88/207045388.db2.gz WRJXJCBPKVJQMN-QGZVFWFLSA-N 1 0 389.503 2.694 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015065329 207043111 /nfs/dbraw/zinc/04/31/11/207043111.db2.gz KSBIEPIXZCCUBH-UHFFFAOYSA-N 1 0 387.524 2.538 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1OC ZINC000015073603 207044017 /nfs/dbraw/zinc/04/40/17/207044017.db2.gz QDSDUGYAPQGSES-QGZVFWFLSA-N 1 0 387.480 2.779 50 0 GFAARO COc1cccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)c1 ZINC000015356869 207050430 /nfs/dbraw/zinc/05/04/30/207050430.db2.gz AFJKVHTTXVBPKW-UHFFFAOYSA-N 1 0 386.473 2.935 50 0 GFAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000015773294 207060063 /nfs/dbraw/zinc/06/00/63/207060063.db2.gz FZWFKHDPAVQGPK-JOCHJYFZSA-N 1 0 377.488 2.529 50 0 GFAARO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000016012880 207070810 /nfs/dbraw/zinc/07/08/10/207070810.db2.gz GDTICDSXSBRLJS-KGYLXKDPSA-N 1 0 389.455 2.576 50 0 GFAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCC[NH+]1CCN(c3ccccn3)CC1)C2=O ZINC000018275956 207097883 /nfs/dbraw/zinc/09/78/83/207097883.db2.gz NCMIPRCQUMYAEC-FDDCHVKYSA-N 1 0 398.551 2.795 50 0 GFAARO COc1ccc(CCN(C)[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1OC ZINC000019741072 207158192 /nfs/dbraw/zinc/15/81/92/207158192.db2.gz YHGVFJXRBUYGJU-FQEVSTJZSA-N 1 0 386.540 2.929 50 0 GFAARO CCOCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000020878264 207217704 /nfs/dbraw/zinc/21/77/04/207217704.db2.gz XTRZOTPNHRLVBG-KRWDZBQOSA-N 1 0 388.512 2.642 50 0 GFAARO CCOC(=O)c1c(NC(=O)C[NH2+]CCN(C)C)sc(C)c1-c1ccccc1 ZINC000022037673 207246416 /nfs/dbraw/zinc/24/64/16/207246416.db2.gz SGPIDZSVJNSIMJ-UHFFFAOYSA-N 1 0 389.521 2.990 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1CO ZINC000023145871 207270134 /nfs/dbraw/zinc/27/01/34/207270134.db2.gz DPLBKSOUUPSYAJ-QHCPKHFHSA-N 1 0 398.547 2.955 50 0 GFAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000023128926 207270417 /nfs/dbraw/zinc/27/04/17/207270417.db2.gz FXKGRXKDYUZEEW-FQEVSTJZSA-N 1 0 385.552 2.851 50 0 GFAARO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1O ZINC000023127133 207270535 /nfs/dbraw/zinc/27/05/35/207270535.db2.gz ROVPUTKHWZSOSC-ZBFHGGJFSA-N 1 0 378.428 2.588 50 0 GFAARO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000023263571 207272474 /nfs/dbraw/zinc/27/24/74/207272474.db2.gz XGPBSIXLEHIJJZ-UHFFFAOYSA-N 1 0 397.288 2.839 50 0 GFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000023339725 207275361 /nfs/dbraw/zinc/27/53/61/207275361.db2.gz GQJRYRAWIGDSFH-INIZCTEOSA-N 1 0 379.464 2.729 50 0 GFAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000023993904 207284698 /nfs/dbraw/zinc/28/46/98/207284698.db2.gz YQEDHPDEVUYYLM-UHFFFAOYSA-N 1 0 377.851 2.606 50 0 GFAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000024067626 207286888 /nfs/dbraw/zinc/28/68/88/207286888.db2.gz YUHPNYKTCHXCKX-KRWDZBQOSA-N 1 0 389.521 2.509 50 0 GFAARO CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025421852 207303238 /nfs/dbraw/zinc/30/32/38/207303238.db2.gz GSJXBQILYNSHQO-IRXDYDNUSA-N 1 0 389.521 2.550 50 0 GFAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000012715713 207328808 /nfs/dbraw/zinc/32/88/08/207328808.db2.gz UNNZIQHYSYMSOE-QFIPXVFZSA-N 1 0 380.492 2.808 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3)c(C)c2)CC1 ZINC000029376019 207359619 /nfs/dbraw/zinc/35/96/19/207359619.db2.gz SCXOFOSRTBJRQR-UHFFFAOYSA-N 1 0 380.492 2.505 50 0 GFAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C ZINC000040728720 207604908 /nfs/dbraw/zinc/60/49/08/207604908.db2.gz BFXQQQUTHPGJOZ-UHFFFAOYSA-N 1 0 392.521 2.852 50 0 GFAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000067975082 207920710 /nfs/dbraw/zinc/92/07/10/207920710.db2.gz NESJWWZCYBCZOG-QFIPXVFZSA-N 1 0 388.508 2.829 50 0 GFAARO CCOC(=O)c1coc(N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072126510 207973209 /nfs/dbraw/zinc/97/32/09/207973209.db2.gz AFXASWZZMNGNGX-NSISKUIASA-N 1 0 397.475 2.927 50 0 GFAARO C[NH+](C)C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000072161901 207985566 /nfs/dbraw/zinc/98/55/66/207985566.db2.gz NAIXTNDEMJVVIO-OAQYLSRUSA-N 1 0 388.533 2.821 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CN1Cc2ccc(C(=O)NCc3ccc(C)o3)cc2C1=O ZINC000072423256 208022473 /nfs/dbraw/zinc/02/24/73/208022473.db2.gz WZUOEGSTAXWYMW-SFHVURJKSA-N 1 0 381.476 2.958 50 0 GFAARO C[C@@H](C1CCN(C(=O)c2cc(-c3ccccc3)n(C)n2)CC1)[NH+]1CCOCC1 ZINC000072456865 208027656 /nfs/dbraw/zinc/02/76/56/208027656.db2.gz VAWFODJZHSWUGE-KRWDZBQOSA-N 1 0 382.508 2.660 50 0 GFAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000077358251 208041854 /nfs/dbraw/zinc/04/18/54/208041854.db2.gz UHHWNYKMCFKMOF-OAHLLOKOSA-N 1 0 376.460 2.837 50 0 GFAARO CCC(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000078413826 208064756 /nfs/dbraw/zinc/06/47/56/208064756.db2.gz BEZMYLMYQVZWJI-KRWDZBQOSA-N 1 0 382.526 2.637 50 0 GFAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)C2)CC1 ZINC000078718451 208064972 /nfs/dbraw/zinc/06/49/72/208064972.db2.gz NTMFIMZXUBLACN-MOPGFXCFSA-N 1 0 377.573 2.994 50 0 GFAARO CN1C(=O)C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000079479409 208075935 /nfs/dbraw/zinc/07/59/35/208075935.db2.gz QKOMJWJWQGIBIT-GMAHTHKFSA-N 1 0 391.515 2.987 50 0 GFAARO O=C(C1CCCCC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082086759 208076151 /nfs/dbraw/zinc/07/61/51/208076151.db2.gz MMFAFUITJVJNAN-LJQANCHMSA-N 1 0 375.557 2.892 50 0 GFAARO CCCc1nc2ccccc2n1[C@H](C)C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120134 208079415 /nfs/dbraw/zinc/07/94/15/208079415.db2.gz SPZLGXCRGDAOCO-OAHLLOKOSA-N 1 0 380.496 2.556 50 0 GFAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091505620 208122695 /nfs/dbraw/zinc/12/26/95/208122695.db2.gz DHSJGQGJJMWSPA-HZPDHXFCSA-N 1 0 377.916 2.502 50 0 GFAARO Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)cc1N1CCNC1=O ZINC000091575397 208122844 /nfs/dbraw/zinc/12/28/44/208122844.db2.gz ORULFUOECKYZJH-FQEVSTJZSA-N 1 0 392.503 2.744 50 0 GFAARO Cc1nn(CC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c(=O)c2ccccc12 ZINC000091644217 208130733 /nfs/dbraw/zinc/13/07/33/208130733.db2.gz ZOWWFCYTPBOKCY-UHFFFAOYSA-N 1 0 382.508 2.572 50 0 GFAARO CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)[NH+]1CCCC1 ZINC000091657021 208131429 /nfs/dbraw/zinc/13/14/29/208131429.db2.gz LGQDXEOMSZAHFG-FQEVSTJZSA-N 1 0 398.551 2.687 50 0 GFAARO CC1(C)CN(c2nnc(-c3ccccc3)s2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091756034 208134872 /nfs/dbraw/zinc/13/48/72/208134872.db2.gz VHIHZIVQIUMAST-HXUWFJFHSA-N 1 0 388.537 2.505 50 0 GFAARO CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000091445253 208119715 /nfs/dbraw/zinc/11/97/15/208119715.db2.gz OFSKQYHRECARTC-GOSISDBHSA-N 1 0 375.488 2.509 50 0 GFAARO [NH3+][C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)C1CCCCC1 ZINC000091487143 208121181 /nfs/dbraw/zinc/12/11/81/208121181.db2.gz OZVMTVUMVJGMPW-OAQYLSRUSA-N 1 0 398.551 2.720 50 0 GFAARO O=C(c1cc(C(F)(F)F)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095352436 208159009 /nfs/dbraw/zinc/15/90/09/208159009.db2.gz WSLLJSVWFTVJGZ-GXTWGEPZSA-N 1 0 379.386 2.560 50 0 GFAARO Cc1cccnc1CN1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095371422 208167327 /nfs/dbraw/zinc/16/73/27/208167327.db2.gz MQDIDJSYZOMNLR-OAQYLSRUSA-N 1 0 378.520 2.815 50 0 GFAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095378843 208171249 /nfs/dbraw/zinc/17/12/49/208171249.db2.gz JHLSWCPYXHMZPN-MRXNPFEDSA-N 1 0 381.436 2.595 50 0 GFAARO CCc1cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)on1 ZINC000095381383 208172472 /nfs/dbraw/zinc/17/24/72/208172472.db2.gz YELRQJUGQBVEAP-CEWLAPEOSA-N 1 0 381.476 2.948 50 0 GFAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000091860814 208141083 /nfs/dbraw/zinc/14/10/83/208141083.db2.gz DLUABDZWSUDFGA-UHFFFAOYSA-N 1 0 379.512 2.934 50 0 GFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)nc(C)n1 ZINC000091860537 208142304 /nfs/dbraw/zinc/14/23/04/208142304.db2.gz CIJMOAKYZSYRTC-FXAWDEMLSA-N 1 0 376.504 2.797 50 0 GFAARO Cc1c2cccc(C)c2[nH]c1C[N@H+]1CC[C@@]2(O)CCN(C(=O)N(C)C)C[C@H]2C1 ZINC000091997845 208145266 /nfs/dbraw/zinc/14/52/66/208145266.db2.gz HQQIXUNIWKXDED-VGOFRKELSA-N 1 0 384.524 2.725 50 0 GFAARO O=C(COc1ccccc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095352506 208157245 /nfs/dbraw/zinc/15/72/45/208157245.db2.gz MYHHBPGQJWTHLK-MDNUFGMLSA-N 1 0 378.472 2.860 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)c3nn(C)c(C)c3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095506689 208206097 /nfs/dbraw/zinc/20/60/97/208206097.db2.gz GAVCIAVSVIUULF-JKSUJKDBSA-N 1 0 376.888 2.560 50 0 GFAARO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)o1 ZINC000095388758 208175585 /nfs/dbraw/zinc/17/55/85/208175585.db2.gz KYCVUUGLOSWXNF-JOCHJYFZSA-N 1 0 381.476 2.682 50 0 GFAARO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000095408114 208178330 /nfs/dbraw/zinc/17/83/30/208178330.db2.gz FTAITUWCQMUFSF-MRXNPFEDSA-N 1 0 390.528 2.900 50 0 GFAARO CCc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)cnn1-c1ccc(C)cc1 ZINC000095403655 208179275 /nfs/dbraw/zinc/17/92/75/208179275.db2.gz QYDGYDQWNNKRBT-MSOLQXFVSA-N 1 0 384.524 2.660 50 0 GFAARO CCCOc1c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC ZINC000095430502 208182131 /nfs/dbraw/zinc/18/21/31/208182131.db2.gz BQJGPRDTDXKQOT-MRXNPFEDSA-N 1 0 384.542 2.635 50 0 GFAARO CNC(=O)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000095451754 208182802 /nfs/dbraw/zinc/18/28/02/208182802.db2.gz OHKOAUSNPUQTCC-WOJBJXKFSA-N 1 0 387.911 2.861 50 0 GFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1ccccc1F ZINC000095472935 208190061 /nfs/dbraw/zinc/19/00/61/208190061.db2.gz UIXPPHRCIGDVNX-UHFFFAOYSA-N 1 0 388.439 2.850 50 0 GFAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccnnc1 ZINC000095504955 208205161 /nfs/dbraw/zinc/20/51/61/208205161.db2.gz UTQIQSSIMUFYNE-UHFFFAOYSA-N 1 0 386.471 2.617 50 0 GFAARO O=C(C[NH+]1CCC(c2nnc3ccccn32)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000095958653 208244114 /nfs/dbraw/zinc/24/41/14/208244114.db2.gz IVJDEWVCULLARD-HNNXBMFYSA-N 1 0 395.429 2.710 50 0 GFAARO Cc1nncn1CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000095524427 208224242 /nfs/dbraw/zinc/22/42/42/208224242.db2.gz CTVMGPSDZVYHMO-GOSISDBHSA-N 1 0 377.492 2.882 50 0 GFAARO C[N@@H+]1CCCN(c2cnn(Cc3cccc(F)c3C(F)(F)F)c(=O)c2)CC1 ZINC000095525832 208224453 /nfs/dbraw/zinc/22/44/53/208224453.db2.gz BOIQYGGSQSXAHE-UHFFFAOYSA-N 1 0 384.377 2.591 50 0 GFAARO COc1ccc(Cc2nc3ccc(C(=O)N[C@H]4CC[N@H+](C)C4)cc3o2)cc1OC ZINC000095526694 208226421 /nfs/dbraw/zinc/22/64/21/208226421.db2.gz MSKXULFTVLEWFK-INIZCTEOSA-N 1 0 395.459 2.870 50 0 GFAARO COc1cc(C(=O)NC[C@H](C)O)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095527135 208226810 /nfs/dbraw/zinc/22/68/10/208226810.db2.gz PEHSKDMEFBRALQ-HNNXBMFYSA-N 1 0 376.497 2.592 50 0 GFAARO COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4[N@H+](C[C@@H](CC3)[C@]42C)C[C@H]1C ZINC000096023819 208252284 /nfs/dbraw/zinc/25/22/84/208252284.db2.gz TVYCEKHYHLUROK-DCLOCNOKSA-N 1 0 383.488 2.860 50 0 GFAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](CCC(=O)NCc2ccco2)CC3)c1 ZINC000096136483 208270043 /nfs/dbraw/zinc/27/00/43/208270043.db2.gz ORRZZGIHSUZYAY-UHFFFAOYSA-N 1 0 380.448 2.743 50 0 GFAARO O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)NCC[NH+]1CCCCC1 ZINC000096386895 208312045 /nfs/dbraw/zinc/31/20/45/208312045.db2.gz PPERTKCFJXMDJS-IBGZPJMESA-N 1 0 378.476 2.775 50 0 GFAARO CCOc1ccccc1[C@](N)(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C(F)(F)F ZINC000097164924 208341633 /nfs/dbraw/zinc/34/16/33/208341633.db2.gz DDXAFYPESUOTGV-KSSFIOAISA-N 1 0 387.446 2.650 50 0 GFAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000097514361 208355096 /nfs/dbraw/zinc/35/50/96/208355096.db2.gz GPVSKTPNZYCWED-INIZCTEOSA-N 1 0 379.435 2.887 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000237396294 208464705 /nfs/dbraw/zinc/46/47/05/208464705.db2.gz STXYKTQOQUDJAI-MRXNPFEDSA-N 1 0 392.459 2.730 50 0 GFAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccco4)[C@H]3C[C@]21O ZINC000004046755 208534295 /nfs/dbraw/zinc/53/42/95/208534295.db2.gz AQWWGXGRAWGACC-CBMYKLCHSA-N 1 0 377.481 2.647 50 0 GFAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008013136 208695286 /nfs/dbraw/zinc/69/52/86/208695286.db2.gz RERRLSJDJSWHPB-UHFFFAOYSA-N 1 0 390.487 2.768 50 0 GFAARO Cc1nn(C)c(Cl)c1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000121864773 209095781 /nfs/dbraw/zinc/09/57/81/209095781.db2.gz TTYCBBNAXMNRKB-OKILXGFUSA-N 1 0 390.915 2.921 50 0 GFAARO COCc1nc(NCc2nn(C)c3cccc(Cl)c23)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244718850 209025146 /nfs/dbraw/zinc/02/51/46/209025146.db2.gz LSAZFIJKGKJDJC-HAQNSBGRSA-N 1 0 386.887 2.980 50 0 GFAARO COCCN(C)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cn1 ZINC000252482760 209032244 /nfs/dbraw/zinc/03/22/44/209032244.db2.gz DNFQILXJUIVHIV-HXUWFJFHSA-N 1 0 382.508 2.618 50 0 GFAARO Cc1nn(C)c2ncc(C(=O)N[C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000252535717 209036888 /nfs/dbraw/zinc/03/68/88/209036888.db2.gz GRALOZNBSAJZSJ-YJBOKZPZSA-N 1 0 377.492 2.917 50 0 GFAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCc1noc(C(F)(F)F)n1 ZINC000299782538 209088717 /nfs/dbraw/zinc/08/87/17/209088717.db2.gz NEXZSMMUKIIKNA-UHFFFAOYSA-N 1 0 382.386 2.627 50 0 GFAARO COc1ccc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)cc1OCC[NH3+] ZINC000426536243 533342619 /nfs/dbraw/zinc/34/26/19/533342619.db2.gz GUGYMRYQSDBXLD-OAHLLOKOSA-N 1 0 380.448 2.709 50 0 GFAARO COc1ccc(CCN(Cc2ccncc2)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000426546304 533478192 /nfs/dbraw/zinc/47/81/92/533478192.db2.gz YVFYGZAXVWXVKZ-HXUWFJFHSA-N 1 0 382.508 2.796 50 0 GFAARO COc1cccc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c(=O)oc21 ZINC000070928740 136165329 /nfs/dbraw/zinc/16/53/29/136165329.db2.gz NFDKIYKOHTWIKY-UHFFFAOYSA-N 1 0 393.443 2.843 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1)N1CCCC1 ZINC000071746698 136165912 /nfs/dbraw/zinc/16/59/12/136165912.db2.gz UFJDCRJRFOXNMJ-GOSISDBHSA-N 1 0 393.535 2.933 50 0 GFAARO CN1CCN(c2ccc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)nn2)CC1 ZINC000071764011 136166320 /nfs/dbraw/zinc/16/63/20/136166320.db2.gz HBZPPZFRFWPAER-LJQANCHMSA-N 1 0 381.524 2.676 50 0 GFAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3cnccn3)CC2)C1 ZINC000071775999 136166678 /nfs/dbraw/zinc/16/66/78/136166678.db2.gz OVSMLUUOTLXYHR-HXUWFJFHSA-N 1 0 393.535 2.516 50 0 GFAARO Cc1cc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000091621093 136176689 /nfs/dbraw/zinc/17/66/89/136176689.db2.gz QDSKUWWAOUYVOF-UHFFFAOYSA-N 1 0 394.523 2.655 50 0 GFAARO c1cnc(N2CCC(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)CC2)nc1 ZINC000095519283 136181034 /nfs/dbraw/zinc/18/10/34/136181034.db2.gz JZQHXKMCTUOGES-QFIPXVFZSA-N 1 0 377.536 2.621 50 0 GFAARO Cc1cc(C)nc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000170613672 136198957 /nfs/dbraw/zinc/19/89/57/136198957.db2.gz NFDKTFHFPOGECM-UXHICEINSA-N 1 0 385.556 2.691 50 0 GFAARO Cc1nc(C(F)(F)F)nc(N2CCC(Cn3cc(C(C)(C)[NH3+])nn3)CC2)c1C ZINC000020856683 136202738 /nfs/dbraw/zinc/20/27/38/136202738.db2.gz HFYZZWUVFPRYOC-UHFFFAOYSA-N 1 0 397.449 2.814 50 0 GFAARO O=C(C[NH+]1CCCCC1)NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000299759918 209083959 /nfs/dbraw/zinc/08/39/59/209083959.db2.gz PBBUYKMMTALJHI-MRXNPFEDSA-N 1 0 386.883 2.703 50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1cccc(Cl)c1 ZINC000299769127 209083972 /nfs/dbraw/zinc/08/39/72/209083972.db2.gz NECVHGSGDTWSID-RTWAWAEBSA-N 1 0 383.923 2.786 50 0 GFAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cccc(F)c2)CC3)c(C)o1 ZINC000299765584 209084051 /nfs/dbraw/zinc/08/40/51/209084051.db2.gz APJXRAKXQWVKTC-UHFFFAOYSA-N 1 0 397.454 2.615 50 0 GFAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1nc3ccccc3[nH]1)CCO2 ZINC000299765282 209084419 /nfs/dbraw/zinc/08/44/19/209084419.db2.gz DUEKVDWXDBTRBX-JOCHJYFZSA-N 1 0 380.492 2.727 50 0 GFAARO COc1ccccc1CN(C)C(=O)C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245882541 534055055 /nfs/dbraw/zinc/05/50/55/534055055.db2.gz NJCXSYULYIWQIH-ZWKOTPCHSA-N 1 0 378.538 2.640 50 0 GFAARO Cc1nc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@@H]2CCCO2)cs1 ZINC000426521139 534404135 /nfs/dbraw/zinc/40/41/35/534404135.db2.gz BYPUQOXROPYHIJ-HNNXBMFYSA-N 1 0 379.555 2.981 50 0 GFAARO O=C(CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397368 534413678 /nfs/dbraw/zinc/41/36/78/534413678.db2.gz IVPKBFWBMAONBT-OAQYLSRUSA-N 1 0 377.479 2.921 50 0 GFAARO CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000426419941 526307836 /nfs/dbraw/zinc/30/78/36/526307836.db2.gz ATPBWWYTBQBJMI-NRFANRHFSA-N 1 0 375.488 2.555 50 0 GFAARO CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426435088 528086922 /nfs/dbraw/zinc/08/69/22/528086922.db2.gz YIXWHADXHOYYPX-NRFANRHFSA-N 1 0 393.478 2.648 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000426445465 529120887 /nfs/dbraw/zinc/12/08/87/529120887.db2.gz HDILNVHNEUIXGE-OAQYLSRUSA-N 1 0 375.488 2.555 50 0 GFAARO CCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCC3)C2)ncn1 ZINC000065245127 535520275 /nfs/dbraw/zinc/52/02/75/535520275.db2.gz HDAVCEHAYSBFRG-SFHVURJKSA-N 1 0 388.560 2.507 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1Cl ZINC000237076807 553074361 /nfs/dbraw/zinc/07/43/61/553074361.db2.gz LVLMGDMUDUBHMA-VIFPVBQESA-N 1 0 399.738 2.763 50 0 GFAARO O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)N1CC[NH2+]CC1 ZINC000237819843 553082320 /nfs/dbraw/zinc/08/23/20/553082320.db2.gz OMHVBMQTPBSPFR-UHFFFAOYSA-N 1 0 394.184 2.638 50 0 GFAARO OC[C@@]1([C@H]([NH2+]Cc2ncc(Cl)cc2Br)C2CC2)CCCO1 ZINC000529580549 564843301 /nfs/dbraw/zinc/84/33/01/564843301.db2.gz MMFGELVXFDKIKD-HUUCEWRRSA-N 1 0 375.694 2.907 50 0 GFAARO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCOCC2)c(Cl)cc1F ZINC000670469340 565723966 /nfs/dbraw/zinc/72/39/66/565723966.db2.gz ZZSFYHIQLDQNAN-UHFFFAOYSA-N 1 0 378.897 2.568 50 0 GFAARO O=c1c2ccccc2[n-]c(=S)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020154004 570254675 /nfs/dbraw/zinc/25/46/75/570254675.db2.gz TUCFRBUGRXRJLV-UHFFFAOYSA-N 1 0 380.517 2.877 50 0 GFAARO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012875783 570274772 /nfs/dbraw/zinc/27/47/72/570274772.db2.gz FJYRMQUUHNNYGN-PKOBYXMFSA-N 1 0 375.472 2.892 50 0 GFAARO COc1cc(Br)cc2cc(C(=O)OC3CC[NH+](C)CC3)c(=O)oc21 ZINC000000644544 570279893 /nfs/dbraw/zinc/27/98/93/570279893.db2.gz REYSRDZHNGHVTB-UHFFFAOYSA-N 1 0 396.237 2.815 50 0 GFAARO COC(=O)c1c2c(sc1NC(=O)c1cc(C)n(C)n1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012286685 570283048 /nfs/dbraw/zinc/28/30/48/570283048.db2.gz VEALQVXPPMWWMO-UHFFFAOYSA-N 1 0 390.509 2.988 50 0 GFAARO Cn1cc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+](C)C)c2ccccc21 ZINC000021698238 570305981 /nfs/dbraw/zinc/30/59/81/570305981.db2.gz JVEQLLFTRYKUOY-OAQYLSRUSA-N 1 0 396.535 2.904 50 0 GFAARO COC(=O)CCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000050508034 570341409 /nfs/dbraw/zinc/34/14/09/570341409.db2.gz HVYSUONKPFZYAA-GOSISDBHSA-N 1 0 378.519 2.827 50 0 GFAARO Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035349309 570343385 /nfs/dbraw/zinc/34/33/85/570343385.db2.gz UEOPCXPDEJNEPA-NRFANRHFSA-N 1 0 377.488 2.887 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)[C@H]1C[NH3+] ZINC000237446956 570359567 /nfs/dbraw/zinc/35/95/67/570359567.db2.gz BOMCJDSDVWXLMH-UZLBHIALSA-N 1 0 386.517 2.860 50 0 GFAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cccc4c3n2C[C@@H](CC)O4)CC1 ZINC000035477433 570365851 /nfs/dbraw/zinc/36/58/51/570365851.db2.gz JUOVNANQGDFHRB-LJQANCHMSA-N 1 0 398.551 2.960 50 0 GFAARO Cc1ccc(N2C(=O)C[C@@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000005111984 570429761 /nfs/dbraw/zinc/42/97/61/570429761.db2.gz CBUPVGYWCGHUAN-OAQYLSRUSA-N 1 0 377.488 2.881 50 0 GFAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000241316723 570431638 /nfs/dbraw/zinc/43/16/38/570431638.db2.gz LUIYIUHNIKGPGR-YLJYHZDGSA-N 1 0 375.538 2.597 50 0 GFAARO CCn1nnc2cc(C(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3)ccc21 ZINC000011944874 570450028 /nfs/dbraw/zinc/45/00/28/570450028.db2.gz VEYRHSIHPNLLDM-UHFFFAOYSA-N 1 0 378.480 2.845 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccc(Br)cc2Cl)C1 ZINC000269117715 570526309 /nfs/dbraw/zinc/52/63/09/570526309.db2.gz VYKBBXAGGPXWGV-LLVKDONJSA-N 1 0 375.694 2.939 50 0 GFAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000011100379 570521682 /nfs/dbraw/zinc/52/16/82/570521682.db2.gz RWHBDYQWHUDPTJ-RDTXWAMCSA-N 1 0 375.494 2.648 50 0 GFAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)C3=COCCO3)nc21 ZINC000005256914 570527362 /nfs/dbraw/zinc/52/73/62/570527362.db2.gz BEKKLKHIDHXMSC-UHFFFAOYSA-N 1 0 397.884 2.741 50 0 GFAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036104366 570540690 /nfs/dbraw/zinc/54/06/90/570540690.db2.gz VZVAUHZNYRESHV-XMMPIXPASA-N 1 0 398.547 2.707 50 0 GFAARO CC(C)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000035421641 570552575 /nfs/dbraw/zinc/55/25/75/570552575.db2.gz XCLWUVJWYRRMHG-UHFFFAOYSA-N 1 0 383.895 2.789 50 0 GFAARO COc1cc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cc(OC)c1 ZINC000036385603 570564689 /nfs/dbraw/zinc/56/46/89/570564689.db2.gz GFROITFONXIPGT-OAQYLSRUSA-N 1 0 384.520 2.815 50 0 GFAARO COc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1OC ZINC000036385762 570564834 /nfs/dbraw/zinc/56/48/34/570564834.db2.gz WCHFCYRNVANFBK-OAQYLSRUSA-N 1 0 384.520 2.815 50 0 GFAARO CCOC(=O)C1([C@@H](C)[NH2+]CCCCOC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000225406229 570570823 /nfs/dbraw/zinc/57/08/23/570570823.db2.gz WMZSMBYQJKCEGT-MRXNPFEDSA-N 1 0 386.533 2.972 50 0 GFAARO Cn1cc(C[NH2+]CCCOc2cccnc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011665071 570578879 /nfs/dbraw/zinc/57/88/79/570578879.db2.gz VNIIGFFZIBUEQQ-UHFFFAOYSA-N 1 0 380.448 2.812 50 0 GFAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CSC ZINC000011814127 570583433 /nfs/dbraw/zinc/58/34/33/570583433.db2.gz BTAKFIGCRMTGJW-UHFFFAOYSA-N 1 0 380.554 2.745 50 0 GFAARO COc1cc(/C=C/CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)ccc1O ZINC000039515701 570592848 /nfs/dbraw/zinc/59/28/48/570592848.db2.gz RQRRXNZSFSKRMN-WKOQKXSESA-N 1 0 382.504 2.983 50 0 GFAARO CCOc1ccc2nc(N3CCC([N@@H+]4CCC[C@H]4C(=O)OC)CC3)nc(C)c2c1 ZINC000011965498 570596292 /nfs/dbraw/zinc/59/62/92/570596292.db2.gz OFKPJKOKEMASBE-FQEVSTJZSA-N 1 0 398.507 2.943 50 0 GFAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000006798509 570599575 /nfs/dbraw/zinc/59/95/75/570599575.db2.gz LAEANQSGLJQPCO-GOSISDBHSA-N 1 0 387.524 2.963 50 0 GFAARO CCOc1cc(CNCCC[NH2+]CCO)cc(Br)c1OC(C)C ZINC000040720720 570605479 /nfs/dbraw/zinc/60/54/79/570605479.db2.gz UTJSFPYVZNMELO-UHFFFAOYSA-N 1 0 389.334 2.697 50 0 GFAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc(=O)n3c4ccccc4nc3s2)C1 ZINC000033008867 570620333 /nfs/dbraw/zinc/62/03/33/570620333.db2.gz ZRNLICKXNFSHQK-AWEZNQCLSA-N 1 0 384.505 2.761 50 0 GFAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(Cc2ccccc2F)nn1 ZINC000012199533 570623958 /nfs/dbraw/zinc/62/39/58/570623958.db2.gz JSPFWZNHAZBMQK-OXJNMPFZSA-N 1 0 385.487 2.850 50 0 GFAARO C[C@@H](C[N@H+]1CCc2nnc(CCNC(=O)c3ccco3)n2CC1)c1ccccc1 ZINC000012279003 570632499 /nfs/dbraw/zinc/63/24/99/570632499.db2.gz BCHNYFZXJUCBKA-KRWDZBQOSA-N 1 0 393.491 2.505 50 0 GFAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnc(C)n4C)C3)C2=O)c1 ZINC000012444933 570665542 /nfs/dbraw/zinc/66/55/42/570665542.db2.gz FAMPUNVYUUUTLN-QFIPXVFZSA-N 1 0 382.508 2.752 50 0 GFAARO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012573935 570681915 /nfs/dbraw/zinc/68/19/15/570681915.db2.gz BFDCBEPYPHGTBF-FQEVSTJZSA-N 1 0 380.536 2.718 50 0 GFAARO O=C1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CN1Cc1ccc(F)cc1 ZINC000012581309 570684056 /nfs/dbraw/zinc/68/40/56/570684056.db2.gz AXFXAIFQPMCKMO-OAQYLSRUSA-N 1 0 378.451 2.961 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2C)CC1 ZINC000012591990 570687652 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O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000058391393 570730296 /nfs/dbraw/zinc/73/02/96/570730296.db2.gz SHQUJGKLNRPCMX-AWEZNQCLSA-N 1 0 378.467 2.717 50 0 GFAARO COc1cccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)[NH+](C)C)c1 ZINC000013056130 570744363 /nfs/dbraw/zinc/74/43/63/570744363.db2.gz MQOXPTCQSRIATO-KRWDZBQOSA-N 1 0 387.505 2.691 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033060255 570747471 /nfs/dbraw/zinc/74/74/71/570747471.db2.gz WBPGYTQMTVGLTA-UHFFFAOYSA-N 1 0 391.472 2.535 50 0 GFAARO COCC1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256255 570755198 /nfs/dbraw/zinc/75/51/98/570755198.db2.gz UJRWEERSPXMONG-NRFANRHFSA-N 1 0 394.519 2.731 50 0 GFAARO CCN(C(C)=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3c(C)noc3C)cc2)C1 ZINC000065395083 570765177 /nfs/dbraw/zinc/76/51/77/570765177.db2.gz HUBSPXXCAUBWDH-LJQANCHMSA-N 1 0 384.480 2.986 50 0 GFAARO COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(CC[N@H+](C)C3CCCC3)nc2C1 ZINC000065490244 570770715 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Cc1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cnn1C ZINC000015074017 207045145 /nfs/dbraw/zinc/04/51/45/207045145.db2.gz IUSYOHQYLXQLJB-QGZVFWFLSA-N 1 0 378.480 2.969 50 0 GFAARO O=C1C[C@@H]([NH2+]C2CCN(Cc3ccco3)CC2)CN1C1Cc2ccccc2C1 ZINC000015076576 207046263 /nfs/dbraw/zinc/04/62/63/207046263.db2.gz IYMBQODMKFBIEU-HXUWFJFHSA-N 1 0 379.504 2.602 50 0 GFAARO CC(C)Cc1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)[nH]n1 ZINC000015066361 207043195 /nfs/dbraw/zinc/04/31/95/207043195.db2.gz YPUUIGJGJZVHJB-HXUWFJFHSA-N 1 0 376.545 2.896 50 0 GFAARO C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCC[NH+]3CCCCCC3)ccc2S1 ZINC000015730569 207058123 /nfs/dbraw/zinc/05/81/23/207058123.db2.gz IFBYUPDGGKQTBS-CQSZACIVSA-N 1 0 397.566 2.664 50 0 GFAARO CCOc1ccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017307329 207088319 /nfs/dbraw/zinc/08/83/19/207088319.db2.gz ASYNRDIQGGMKTG-UHFFFAOYSA-N 1 0 395.507 2.746 50 0 GFAARO COc1cccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1OC ZINC000019223578 207109772 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Cc1cc(C)n(-c2ccc(N3CCC([NH2+][C@H](C)Cn4cncn4)CC3)cc2)n1 ZINC000023153587 207270737 /nfs/dbraw/zinc/27/07/37/207270737.db2.gz NTCTVPGBPYZAII-QGZVFWFLSA-N 1 0 379.512 2.728 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CC[C@H]([NH+](C)C)C1 ZINC000023158564 207271088 /nfs/dbraw/zinc/27/10/88/207271088.db2.gz QBCMJADMQMACOA-IBGZPJMESA-N 1 0 391.519 2.742 50 0 GFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000027336294 207324439 /nfs/dbraw/zinc/32/44/39/207324439.db2.gz CACUPVZPYYAYRD-IAGOWNOFSA-N 1 0 385.464 2.678 50 0 GFAARO C[C@@H](NC(=O)CC[NH+]1CCN(CCOc2ccccc2)CC1)c1ccccc1 ZINC000028883636 207351490 /nfs/dbraw/zinc/35/14/90/207351490.db2.gz ZETWVPGMMHIPFC-HXUWFJFHSA-N 1 0 381.520 2.951 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC000299739026 207647104 /nfs/dbraw/zinc/64/71/04/207647104.db2.gz JPWKOLYKDUXVGA-WDEREUQCSA-N 1 0 375.694 2.938 50 0 GFAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCCC3)ccc12 ZINC000058381194 207777517 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380.492 2.603 50 0 GFAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000091808368 208137110 /nfs/dbraw/zinc/13/71/10/208137110.db2.gz VVFADFFVTTZMIN-JOCHJYFZSA-N 1 0 381.524 2.869 50 0 GFAARO NC(=O)N[C@@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000089826114 208108712 /nfs/dbraw/zinc/10/87/12/208108712.db2.gz TWSRWLMCRWYSNB-FQEVSTJZSA-N 1 0 386.540 2.901 50 0 GFAARO NC(=O)N[C@H](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000089826113 208108977 /nfs/dbraw/zinc/10/89/77/208108977.db2.gz TWSRWLMCRWYSNB-HXUWFJFHSA-N 1 0 386.540 2.901 50 0 GFAARO COc1ccc2[nH]c(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)cc2c1 ZINC000091270340 208114937 /nfs/dbraw/zinc/11/49/37/208114937.db2.gz LUWVMKYYJFMTDC-UHFFFAOYSA-N 1 0 379.464 2.519 50 0 GFAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(C(=O)c3ccccn3)CC1)C2 ZINC000091847103 208139301 /nfs/dbraw/zinc/13/93/01/208139301.db2.gz GBYCIFUFZYBXNR-MRXNPFEDSA-N 1 0 381.476 2.536 50 0 GFAARO CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095359915 208161131 /nfs/dbraw/zinc/16/11/31/208161131.db2.gz KSORWENPHKTBFX-FXAWDEMLSA-N 1 0 378.520 2.536 50 0 GFAARO CNc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095362443 208161202 /nfs/dbraw/zinc/16/12/02/208161202.db2.gz LHOFOQDZNJAXKU-CEWLAPEOSA-N 1 0 378.476 2.531 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000095366297 208163116 /nfs/dbraw/zinc/16/31/16/208163116.db2.gz XJNLJFWMWKHNCK-GOSISDBHSA-N 1 0 376.545 2.746 50 0 GFAARO Cc1nc(CN2C(=O)N(CCc3ccccc3)C3(CC[NH2+]CC3)C2=O)cs1 ZINC000095373669 208168302 /nfs/dbraw/zinc/16/83/02/208168302.db2.gz FLPHMBVTKMAXSS-UHFFFAOYSA-N 1 0 384.505 2.581 50 0 GFAARO O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095378121 208168710 /nfs/dbraw/zinc/16/87/10/208168710.db2.gz HHYAPSHEGNSAGS-HNAYVOBHSA-N 1 0 387.487 2.662 50 0 GFAARO C=Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000095373947 208169880 /nfs/dbraw/zinc/16/98/80/208169880.db2.gz KGCRAHRPMHPOLN-QHCPKHFHSA-N 1 0 381.520 2.879 50 0 GFAARO O=C(C[NH+]1CCCC1)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095376837 208170066 /nfs/dbraw/zinc/17/00/66/208170066.db2.gz UICTWWMTQGCRQW-RMKNXTFCSA-N 1 0 381.520 2.637 50 0 GFAARO COc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000095374537 208170573 /nfs/dbraw/zinc/17/05/73/208170573.db2.gz MBDOFIVUDWKCCE-IWMITWMQSA-N 1 0 396.443 2.719 50 0 GFAARO Cn1c2ccccc2c2cc(CC(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)ccc21 ZINC000091915237 208142106 /nfs/dbraw/zinc/14/21/06/208142106.db2.gz HBVOEFZNBZAENX-QZTJIDSGSA-N 1 0 379.504 2.503 50 0 GFAARO CN1CC2(CCC1=O)CC[NH+](CCC(=O)NCc1ccc(Cl)cc1)CC2 ZINC000091933155 208143385 /nfs/dbraw/zinc/14/33/85/208143385.db2.gz QRFOUAOVRGKDAD-UHFFFAOYSA-N 1 0 377.916 2.681 50 0 GFAARO CCNc1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1 ZINC000091934635 208143876 /nfs/dbraw/zinc/14/38/76/208143876.db2.gz ORQOCDLDUUZZCO-UHFFFAOYSA-N 1 0 394.523 2.708 50 0 GFAARO Cc1cnn(CCC[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1 ZINC000092062385 208147684 /nfs/dbraw/zinc/14/76/84/208147684.db2.gz QZTSADCIRADIPA-QFIPXVFZSA-N 1 0 381.524 2.881 50 0 GFAARO O=C(C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2)NC1CC1 ZINC000092001653 208147759 /nfs/dbraw/zinc/14/77/59/208147759.db2.gz SOAZVBHERUCYKH-FQEVSTJZSA-N 1 0 381.520 2.526 50 0 GFAARO CCCc1nc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cs1 ZINC000095506711 208207212 /nfs/dbraw/zinc/20/72/12/208207212.db2.gz PRLCLLLBRGGYBS-OAHLLOKOSA-N 1 0 375.542 2.874 50 0 GFAARO C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000095506218 208208849 /nfs/dbraw/zinc/20/88/49/208208849.db2.gz ONYSXBPQXPLEQQ-CYBMUJFWSA-N 1 0 393.915 2.729 50 0 GFAARO O=C(c1ccc(-c2nc[nH]n2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095391218 208178092 /nfs/dbraw/zinc/17/80/92/208178092.db2.gz CZAYGDOXOADOAU-FXAWDEMLSA-N 1 0 388.475 2.603 50 0 GFAARO Cc1cnn(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)c1 ZINC000095391035 208180078 /nfs/dbraw/zinc/18/00/78/208180078.db2.gz LXSJCSJANMQYRS-GHTZIAJQSA-N 1 0 378.520 2.672 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2cc(OCC(F)F)ccn2)[NH+](C)C)cc1 ZINC000095465719 208188430 /nfs/dbraw/zinc/18/84/30/208188430.db2.gz XRPQCEURVBRAKG-KRWDZBQOSA-N 1 0 379.407 2.767 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000095500025 208200690 /nfs/dbraw/zinc/20/06/90/208200690.db2.gz LXFAJUPMRXUWPF-HNNXBMFYSA-N 1 0 375.904 2.903 50 0 GFAARO Cc1c(CC(=O)N2CC[C@H](C[NH3+])C2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095500289 208201882 /nfs/dbraw/zinc/20/18/82/208201882.db2.gz YXOQSBXOSLRTSR-GOSISDBHSA-N 1 0 379.504 2.714 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccc[nH]1 ZINC000095519689 208219953 /nfs/dbraw/zinc/21/99/53/208219953.db2.gz LPJKMFDMMGCCBU-SFHVURJKSA-N 1 0 381.520 2.983 50 0 GFAARO CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013626 208254510 /nfs/dbraw/zinc/25/45/10/208254510.db2.gz YNNAZNGYQSVJDW-AHRSYUTCSA-N 1 0 378.513 2.799 50 0 GFAARO COc1ccc(/C=C\C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000096947517 208331703 /nfs/dbraw/zinc/33/17/03/208331703.db2.gz PHYPGQMTSGWXOA-PCOVPTDHSA-N 1 0 376.497 2.721 50 0 GFAARO Cc1c(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cccc1C(N)=O ZINC000097474931 208353882 /nfs/dbraw/zinc/35/38/82/208353882.db2.gz MQPMAXYUBWFFFX-UHFFFAOYSA-N 1 0 380.492 2.923 50 0 GFAARO O=C(Nc1cc(C(=O)N2CCCC2)ccc1Cl)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097446910 208354754 /nfs/dbraw/zinc/35/47/54/208354754.db2.gz PVVXMHQLTFJMNU-ZFWWWQNUSA-N 1 0 376.888 2.792 50 0 GFAARO COCC[N@@H+]1CCC[C@H](CN(C)c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000097547746 208356152 /nfs/dbraw/zinc/35/61/52/208356152.db2.gz MPDUBDSCJWBPBJ-QGZVFWFLSA-N 1 0 382.508 2.754 50 0 GFAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000097532336 208357550 /nfs/dbraw/zinc/35/75/50/208357550.db2.gz TZSQDCRKWDUENV-CQSZACIVSA-N 1 0 380.448 2.586 50 0 GFAARO CN1CC[NH+](C2(CNC(=O)Nc3cccc(OC(F)F)c3)CCCC2)CC1 ZINC000097679903 208360685 /nfs/dbraw/zinc/36/06/85/208360685.db2.gz BZQTZLHQYONYNP-UHFFFAOYSA-N 1 0 382.455 2.970 50 0 GFAARO COc1ccccc1-c1ccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000097729594 208361474 /nfs/dbraw/zinc/36/14/74/208361474.db2.gz NBTVLJWJZADASJ-IBGZPJMESA-N 1 0 380.492 2.874 50 0 GFAARO COc1ccc(C)cc1/C=C\C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000098053152 208367955 /nfs/dbraw/zinc/36/79/55/208367955.db2.gz CLWLMBPZSKSDMY-FKCJAETHSA-N 1 0 383.536 2.786 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CCCN1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000230134385 209005467 /nfs/dbraw/zinc/00/54/67/209005467.db2.gz WSBRVSMVKAYGAI-FPOVZHCZSA-N 1 0 379.520 2.682 50 0 GFAARO C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000241869067 209019789 /nfs/dbraw/zinc/01/97/89/209019789.db2.gz SUEPTQLNXRRMPH-MAZHCROVSA-N 1 0 383.414 2.578 50 0 GFAARO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc(OC)c1OC ZINC000240540891 209020432 /nfs/dbraw/zinc/02/04/32/209020432.db2.gz GPYSUEWPJNFKMS-YOEHRIQHSA-N 1 0 385.464 2.954 50 0 GFAARO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc(OC)c1OC ZINC000240540890 209020545 /nfs/dbraw/zinc/02/05/45/209020545.db2.gz GPYSUEWPJNFKMS-WMLDXEAASA-N 1 0 385.464 2.954 50 0 GFAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)Cc2cc(-c3ccccc3)n[nH]2)n1 ZINC000244674027 209021669 /nfs/dbraw/zinc/02/16/69/209021669.db2.gz IABJARBFBZMOTE-WKILWMFISA-N 1 0 378.480 2.854 50 0 GFAARO COCCn1c(CN2CC=C(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244840201 209024520 /nfs/dbraw/zinc/02/45/20/209024520.db2.gz UILFHKLJCPOVIQ-IZAXUBKRSA-N 1 0 385.487 2.558 50 0 GFAARO CSCCC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299794777 209090112 /nfs/dbraw/zinc/09/01/12/209090112.db2.gz KREISSWTZYTTAS-LJQANCHMSA-N 1 0 396.528 2.649 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)c1 ZINC000015062900 221327725 /nfs/dbraw/zinc/32/77/25/221327725.db2.gz JJVWDEFIXLYKFB-OAQYLSRUSA-N 1 0 384.455 2.753 50 0 GFAARO C[C@H](NC(=O)CCN1c2ccccc2NC2(CC[NH2+]CC2)C1=O)c1ccccc1 ZINC000082161030 136174320 /nfs/dbraw/zinc/17/43/20/136174320.db2.gz UTOIUIKZFYPSDT-KRWDZBQOSA-N 1 0 392.503 2.835 50 0 GFAARO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)nc2ccccc12 ZINC000091365038 136176356 /nfs/dbraw/zinc/17/63/56/136176356.db2.gz PNDVNJBVBTYYRV-KNQAVFIVSA-N 1 0 382.552 2.758 50 0 GFAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cccc(N4CCOCC4)c3)C2)N1CC1CCC1 ZINC000095355300 136177829 /nfs/dbraw/zinc/17/78/29/136177829.db2.gz BDCBARMOEQNKHB-RBBKRZOGSA-N 1 0 383.536 2.746 50 0 GFAARO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c2ccccc2[nH+]1 ZINC000095392901 136178865 /nfs/dbraw/zinc/17/88/65/136178865.db2.gz RMHVKZXBEURULX-NQIIRXRSSA-N 1 0 396.535 2.850 50 0 GFAARO Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)n1 ZINC000095474509 136179514 /nfs/dbraw/zinc/17/95/14/136179514.db2.gz 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Cc1ccc(CN2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2=O)cc1 ZINC000072142014 570869894 /nfs/dbraw/zinc/86/98/94/570869894.db2.gz TYSOUUSHVGNWDV-UHFFFAOYSA-N 1 0 381.520 2.780 50 0 GFAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000102912998 570871311 /nfs/dbraw/zinc/87/13/11/570871311.db2.gz JQLZTZXZYACGOQ-KDURUIRLSA-N 1 0 381.476 2.562 50 0 GFAARO O=S(=O)(c1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000072154695 570874349 /nfs/dbraw/zinc/87/43/49/570874349.db2.gz CQGCFMHKMMAGLG-FQEVSTJZSA-N 1 0 389.496 2.898 50 0 GFAARO COc1ccc(-c2cn([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)nn2)cc1 ZINC000072156700 570874503 /nfs/dbraw/zinc/87/45/03/570874503.db2.gz IUJHFKIDHGYASW-RTWAWAEBSA-N 1 0 376.460 2.539 50 0 GFAARO Cc1cc(=O)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c[nH]1 ZINC000072160932 570875269 /nfs/dbraw/zinc/87/52/69/570875269.db2.gz QMBFLBYNKWGGCN-QFIPXVFZSA-N 1 0 383.467 2.951 50 0 GFAARO CN(C(=O)c1ccc2n[nH]nc2c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072166073 570876431 /nfs/dbraw/zinc/87/64/31/570876431.db2.gz QXIPLFJGWQHGBG-GOSISDBHSA-N 1 0 375.476 2.662 50 0 GFAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000022937978 570885978 /nfs/dbraw/zinc/88/59/78/570885978.db2.gz ZVKBNCHUZGQSRM-FQEVSTJZSA-N 1 0 385.552 2.694 50 0 GFAARO CCN1CCC(CNC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)([NH+](C)C)CC1 ZINC000534576239 570901291 /nfs/dbraw/zinc/90/12/91/570901291.db2.gz UWUKNJRGAXMELT-KRWDZBQOSA-N 1 0 376.545 2.814 50 0 GFAARO O=C(c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc1)N1CCCC1 ZINC000032908982 570909821 /nfs/dbraw/zinc/90/98/21/570909821.db2.gz RIFLVXGBKYEAQO-UHFFFAOYSA-N 1 0 393.535 2.547 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C ZINC000051318056 570910228 /nfs/dbraw/zinc/91/02/28/570910228.db2.gz QYKOBCLQHURLQN-UHFFFAOYSA-N 1 0 394.317 2.800 50 0 GFAARO O=C(NCCCc1nc2cc(F)ccc2[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534658779 570916265 /nfs/dbraw/zinc/91/62/65/570916265.db2.gz JVLGYKCOUPTOAK-UHFFFAOYSA-N 1 0 382.443 2.561 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ZINC000053049756 570980302 /nfs/dbraw/zinc/98/03/02/570980302.db2.gz UQGNBNZGLFOXTC-UHFFFAOYSA-N 1 0 389.515 2.993 50 0 GFAARO COc1ccc2cc(CN(C)C(=O)CSc3nc(N)cc(N)[nH+]3)ccc2c1 ZINC000007692739 571017288 /nfs/dbraw/zinc/01/72/88/571017288.db2.gz ASVLVOSCZBFRQQ-UHFFFAOYSA-N 1 0 383.477 2.554 50 0 GFAARO OCc1cn(CCC[NH2+][C@H](Cc2ccc(Br)cc2)C2CCC2)nn1 ZINC000888096819 663178077 /nfs/dbraw/zinc/17/80/77/663178077.db2.gz NELKPTZDSXTQMI-GOSISDBHSA-N 1 0 393.329 2.924 50 0 GFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000606441693 677674360 /nfs/dbraw/zinc/67/43/60/677674360.db2.gz PIPGUORJQDZWLL-QDOCKXBDSA-N 1 0 393.260 2.594 50 0 GFAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000606441182 677674365 /nfs/dbraw/zinc/67/43/65/677674365.db2.gz HZINQVIYPSTXDH-SDQPKGBYSA-N 1 0 393.260 2.737 50 0 GFAARO Cc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1F ZINC000426398005 231214279 /nfs/dbraw/zinc/21/42/79/231214279.db2.gz CZMICMKQECYPNA-LJQANCHMSA-N 1 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ZINC000015773849 210169594 /nfs/dbraw/zinc/16/95/94/210169594.db2.gz IONKGVYBIRWNBH-OAQYLSRUSA-N 1 0 377.488 2.860 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773962 210168825 /nfs/dbraw/zinc/16/88/25/210168825.db2.gz YCTWZRREBSTJNL-NRFANRHFSA-N 1 0 377.488 2.860 50 0 GFAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[NH+](C4CCCC4)CC3)n[nH]2)c1 ZINC000015070902 210148508 /nfs/dbraw/zinc/14/85/08/210148508.db2.gz RLRJATCQSBPLEC-UHFFFAOYSA-N 1 0 396.491 2.892 50 0 GFAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCCOC(C)C)cc1 ZINC000015068229 210146976 /nfs/dbraw/zinc/14/69/76/210146976.db2.gz PBRXNZQNEDPHSN-LJQANCHMSA-N 1 0 376.497 2.759 50 0 GFAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014748898 210127714 /nfs/dbraw/zinc/12/77/14/210127714.db2.gz SGVIMZPUIBVAKK-UHFFFAOYSA-N 1 0 398.507 2.822 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014531487 210118731 /nfs/dbraw/zinc/11/87/31/210118731.db2.gz 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CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000002639644 209373885 /nfs/dbraw/zinc/37/38/85/209373885.db2.gz KKUDLPSRCLHUNX-NRFANRHFSA-N 1 0 396.531 2.950 50 0 GFAARO COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002419896 209362536 /nfs/dbraw/zinc/36/25/36/209362536.db2.gz ZEHZHOVRKJMWIS-IBGZPJMESA-N 1 0 378.428 2.908 50 0 GFAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCSCC1 ZINC000002329869 209357569 /nfs/dbraw/zinc/35/75/69/209357569.db2.gz MLPAGDGZJLLISA-UHFFFAOYSA-N 1 0 379.457 2.861 50 0 GFAARO Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccc3c(c2)OCO3)cc1 ZINC000001897445 209342462 /nfs/dbraw/zinc/34/24/62/209342462.db2.gz ODJQMJRKQSIZRG-UHFFFAOYSA-N 1 0 390.505 2.866 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000253413092 209219651 /nfs/dbraw/zinc/21/96/51/209219651.db2.gz SZXNKSQSULNMRW-FDFHNCONSA-N 1 0 397.563 2.801 50 0 GFAARO O[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1Nc1ncccn1 ZINC000299763024 212033982 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C[N@H+](CCc1ccccc1)C1(C(=O)NCC2(CO)CCC2)Cc2ccccc2C1 ZINC000072153073 211078902 /nfs/dbraw/zinc/07/89/02/211078902.db2.gz SBNQATGFDJBKFY-UHFFFAOYSA-N 1 0 392.543 2.977 50 0 GFAARO O=C(CCSCc1ccc(F)cc1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072133674 211074490 /nfs/dbraw/zinc/07/44/90/211074490.db2.gz RPFSKKRWCRKABC-IBGZPJMESA-N 1 0 380.529 2.897 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000071764163 211060092 /nfs/dbraw/zinc/06/00/92/211060092.db2.gz RHXYMXMWNYHZML-INIZCTEOSA-N 1 0 377.479 2.920 50 0 GFAARO CN(CC[NH+](C)C)C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071745789 211054125 /nfs/dbraw/zinc/05/41/25/211054125.db2.gz RUKUPFXMAJFXJX-HSZRJFAPSA-N 1 0 379.504 2.554 50 0 GFAARO O=C(NCC(F)F)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071747588 211053715 /nfs/dbraw/zinc/05/37/15/211053715.db2.gz KFCKSYRXFKXRMJ-SFHVURJKSA-N 1 0 379.495 2.787 50 0 GFAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071749474 211056401 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50 0 GFAARO O=C(NCCC[NH+]1CCCC1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531259 210343717 /nfs/dbraw/zinc/34/37/17/210343717.db2.gz AKEUELPLQICIBV-JOCHJYFZSA-N 1 0 391.515 2.856 50 0 GFAARO COC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532067 210343320 /nfs/dbraw/zinc/34/33/20/210343320.db2.gz BMUMQPJWKJHHHJ-UHFFFAOYSA-N 1 0 395.887 2.703 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000020016801 210311512 /nfs/dbraw/zinc/31/15/12/210311512.db2.gz QCTFMDZMHKQBFU-QGZVFWFLSA-N 1 0 395.569 2.711 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]CCCSC)C2 ZINC000019839667 210302259 /nfs/dbraw/zinc/30/22/59/210302259.db2.gz GJMOQOXOMDELSV-HNNXBMFYSA-N 1 0 390.553 2.968 50 0 GFAARO O=C(CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1)N1CCOCC1 ZINC000019838689 210301878 /nfs/dbraw/zinc/30/18/78/210301878.db2.gz ORYFEEVDHQWBLJ-UHFFFAOYSA-N 1 0 382.508 2.723 50 0 GFAARO CCCCn1c(CN2CCC([NH+]3CCCC3)CC2)cnc1S(=O)(=O)CC ZINC000011936733 221139427 /nfs/dbraw/zinc/13/94/27/221139427.db2.gz QAVXGTRSKXEDHC-UHFFFAOYSA-N 1 0 382.574 2.537 50 0 GFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)C1 ZINC000011937079 221139876 /nfs/dbraw/zinc/13/98/76/221139876.db2.gz APNJZDMOWDRONV-MRXNPFEDSA-N 1 0 381.480 2.937 50 0 GFAARO CNc1cc(C)[nH+]c(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1 ZINC000091594631 136176657 /nfs/dbraw/zinc/17/66/57/136176657.db2.gz HKDWMZZVIVGEQM-INIZCTEOSA-N 1 0 397.527 2.703 50 0 GFAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ccnc(SC)n1)C2 ZINC000095361608 136178059 /nfs/dbraw/zinc/17/80/59/136178059.db2.gz XZKIGTQCNQCQBX-HLIPFELVSA-N 1 0 392.569 2.542 50 0 GFAARO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000012069473 136199973 /nfs/dbraw/zinc/19/99/73/136199973.db2.gz YFIJBVBVBJRVNZ-UHFFFAOYSA-N 1 0 394.519 2.570 50 0 GFAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC[C@@H](C)c2ccccc2)CC1 ZINC000022608955 136204199 /nfs/dbraw/zinc/20/41/99/136204199.db2.gz KIFPRKKBHVXVKI-CTNGQTDRSA-N 1 0 384.520 2.998 50 0 GFAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccccc3-n3cnnc3)CC2)o1 ZINC000426484368 533917346 /nfs/dbraw/zinc/91/73/46/533917346.db2.gz BIZKPGWKLMWYSN-UHFFFAOYSA-N 1 0 379.464 2.811 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000426503160 534688394 /nfs/dbraw/zinc/68/83/94/534688394.db2.gz JYINMSMFESQZRV-MRSBXDGLSA-N 1 0 381.524 2.540 50 0 GFAARO CCOc1ccc(C(=O)N2CCN(c3cc(-n4cccc4)nc(C)[nH+]3)CC2)cc1 ZINC000090607824 535699988 /nfs/dbraw/zinc/69/99/88/535699988.db2.gz JIQHEEMDHBIIQN-UHFFFAOYSA-N 1 0 391.475 2.937 50 0 GFAARO COc1ccccc1S(=O)(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000244950813 553088611 /nfs/dbraw/zinc/08/86/11/553088611.db2.gz FNBZCEKCQZEVIF-UHFFFAOYSA-N 1 0 384.567 2.581 50 0 GFAARO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@H]1c1cccs1 ZINC000245237841 553089348 /nfs/dbraw/zinc/08/93/48/553089348.db2.gz YZYFIQSNJHANAG-WFASDCNBSA-N 1 0 379.507 2.560 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000262743332 553174518 /nfs/dbraw/zinc/17/45/18/553174518.db2.gz JPWMAGHQRAHVDJ-GZBFAFLISA-N 1 0 394.313 2.530 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000299739434 563390652 /nfs/dbraw/zinc/39/06/52/563390652.db2.gz OHLPVXQOQYASSV-RKDXNWHRSA-N 1 0 397.722 2.611 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)CC1 ZINC000104527098 570259819 /nfs/dbraw/zinc/25/98/19/570259819.db2.gz RKHRELRYMJGRHN-LJQANCHMSA-N 1 0 381.511 2.706 50 0 GFAARO COc1ccc(-n2ccnc2CN2CCC[N@H+](Cc3cccnc3)CC2)cc1 ZINC000215200848 570286308 /nfs/dbraw/zinc/28/63/08/570286308.db2.gz BFOGXOMYUZAATD-UHFFFAOYSA-N 1 0 377.492 2.984 50 0 GFAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000034668272 570293033 /nfs/dbraw/zinc/29/30/33/570293033.db2.gz AYPKWYPLSFFQHS-UHFFFAOYSA-N 1 0 379.504 2.790 50 0 GFAARO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2n1 ZINC000216385129 570300443 /nfs/dbraw/zinc/30/04/43/570300443.db2.gz QJQZAXOGHWJKNU-GFCCVEGCSA-N 1 0 381.402 2.755 50 0 GFAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000023359952 570321997 /nfs/dbraw/zinc/32/19/97/570321997.db2.gz KWZDLRXIDLBZMH-QGZVFWFLSA-N 1 0 379.476 2.573 50 0 GFAARO CCc1ccc([C@H](CNC(=O)CCNC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000022684626 570324522 /nfs/dbraw/zinc/32/45/22/570324522.db2.gz KIUDELITSDZDDM-NRFANRHFSA-N 1 0 396.535 2.857 50 0 GFAARO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022775588 570326900 /nfs/dbraw/zinc/32/69/00/570326900.db2.gz FYNNBNJJJSGXFF-FGZHOGPDSA-N 1 0 389.499 2.866 50 0 GFAARO COc1cc(OC)c(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(OC)c1 ZINC000022807526 570329443 /nfs/dbraw/zinc/32/94/43/570329443.db2.gz IWZMISXVVQZLFI-KRWDZBQOSA-N 1 0 392.521 2.937 50 0 GFAARO Cc1ccc(-n2nc(C(=O)N3CCC[N@@H+](C)CC3)nc2Cc2ccccc2)cc1 ZINC000034911200 570340866 /nfs/dbraw/zinc/34/08/66/570340866.db2.gz SJIOEQDHJRSAQC-UHFFFAOYSA-N 1 0 389.503 2.944 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000237454141 570361738 /nfs/dbraw/zinc/36/17/38/570361738.db2.gz WIPWSYJONCRBLI-LPHOPBHVSA-N 1 0 386.517 2.860 50 0 GFAARO O=C(CCn1cnc2sccc2c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023742346 570371327 /nfs/dbraw/zinc/37/13/27/570371327.db2.gz JVEZIDSQYQXLCS-SFHVURJKSA-N 1 0 396.516 2.801 50 0 GFAARO CCN1CC[NH+](CC2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000033312386 570406417 /nfs/dbraw/zinc/40/64/17/570406417.db2.gz DGBVQAYZXWVBDQ-UHFFFAOYSA-N 1 0 399.988 2.519 50 0 GFAARO COc1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc2c1OCCO2 ZINC000025355696 570411670 /nfs/dbraw/zinc/41/16/70/570411670.db2.gz BNQMHNSTVKTYNO-UHFFFAOYSA-N 1 0 376.497 2.591 50 0 GFAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025946931 570420838 /nfs/dbraw/zinc/42/08/38/570420838.db2.gz JBNRNIAQQKUBNE-UHFFFAOYSA-N 1 0 379.460 2.709 50 0 GFAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CC[C@@H]([NH3+])CC2)nc1 ZINC000240824875 570430888 /nfs/dbraw/zinc/43/08/88/570430888.db2.gz QLQDNBZUGGDLGC-HDICACEKSA-N 1 0 384.528 2.903 50 0 GFAARO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871763 570468863 /nfs/dbraw/zinc/46/88/63/570468863.db2.gz PIMQXHKZXYBFLB-IFMALSPDSA-N 1 0 397.494 2.834 50 0 GFAARO Cc1cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527947 570477562 /nfs/dbraw/zinc/47/75/62/570477562.db2.gz DUMMDWSZDNAXRD-AEFFLSMTSA-N 1 0 377.492 2.917 50 0 GFAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc(C)c2OC)c1 ZINC000006700807 570488359 /nfs/dbraw/zinc/48/83/59/570488359.db2.gz SHVFSONFLQXILF-UHFFFAOYSA-N 1 0 397.475 2.794 50 0 GFAARO CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)c1 ZINC000006700742 570488370 /nfs/dbraw/zinc/48/83/70/570488370.db2.gz LRMVEWOGELALPM-UHFFFAOYSA-N 1 0 397.475 2.876 50 0 GFAARO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(COc3ccccn3)CC2)c1 ZINC000072308562 570527168 /nfs/dbraw/zinc/52/71/68/570527168.db2.gz MOWPNGJLGPMGSJ-KRWDZBQOSA-N 1 0 383.492 2.886 50 0 GFAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000008569858 570534452 /nfs/dbraw/zinc/53/44/52/570534452.db2.gz FJAKENPVKLOCSH-KRWDZBQOSA-N 1 0 376.815 2.952 50 0 GFAARO O=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760511 570537598 /nfs/dbraw/zinc/53/75/98/570537598.db2.gz RRKODZMYPFBUAL-UHFFFAOYSA-N 1 0 377.847 2.667 50 0 GFAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000064818011 570553621 /nfs/dbraw/zinc/55/36/21/570553621.db2.gz HNIVGTQLYWJJAZ-UHFFFAOYSA-N 1 0 380.444 2.872 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C(=O)c2ccco2)C1 ZINC000011773624 570582476 /nfs/dbraw/zinc/58/24/76/570582476.db2.gz FYNRYLDWKNXUDE-QGZVFWFLSA-N 1 0 384.476 2.884 50 0 GFAARO Cc1ccc2occ(C[NH+]3CCC(CCC(=O)N4CCOCC4)CC3)c(=O)c2c1 ZINC000011815012 570583870 /nfs/dbraw/zinc/58/38/70/570583870.db2.gz BZGRNGYPEUEION-UHFFFAOYSA-N 1 0 398.503 2.952 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000011936511 570593979 /nfs/dbraw/zinc/59/39/79/570593979.db2.gz USTRWTTZEAPNCX-UHFFFAOYSA-N 1 0 396.535 2.934 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)cn2)C1 ZINC000012053520 570601654 /nfs/dbraw/zinc/60/16/54/570601654.db2.gz DORRUHNVXNMKLW-SFHVURJKSA-N 1 0 382.508 2.820 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989106 570632417 /nfs/dbraw/zinc/63/24/17/570632417.db2.gz GDKZDAFLUOBNOH-UHFFFAOYSA-N 1 0 379.508 2.960 50 0 GFAARO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(Cc3ccoc3)CC2)CC1 ZINC000012303701 570637759 /nfs/dbraw/zinc/63/77/59/570637759.db2.gz HNVWNDQKJZCNJM-UHFFFAOYSA-N 1 0 382.508 2.667 50 0 GFAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C[C@@H]1CCCO1 ZINC000012306548 570639414 /nfs/dbraw/zinc/63/94/14/570639414.db2.gz MNKFHWVEKYXYAZ-KRWDZBQOSA-N 1 0 398.532 2.979 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)[NH+]2CCCC2)cc1 ZINC000033023384 570651541 /nfs/dbraw/zinc/65/15/41/570651541.db2.gz BPOZJBGPSLROCQ-NQIIRXRSSA-N 1 0 382.460 2.788 50 0 GFAARO COC[C@@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012443446 570665374 /nfs/dbraw/zinc/66/53/74/570665374.db2.gz BWLPJUVMKXRUMZ-QGZVFWFLSA-N 1 0 383.492 2.890 50 0 GFAARO COc1ccc(CC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000036389945 570671431 /nfs/dbraw/zinc/67/14/31/570671431.db2.gz FZZDOUOQAMCLKJ-QFIPXVFZSA-N 1 0 381.520 2.733 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cn2nc(C)cc2C)C1 ZINC000012472594 570673274 /nfs/dbraw/zinc/67/32/74/570673274.db2.gz AAVRSFUTESHWLJ-FQEVSTJZSA-N 1 0 398.551 2.922 50 0 GFAARO O=C(N[C@H](Cc1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238151081 570679299 /nfs/dbraw/zinc/67/92/99/570679299.db2.gz IGCFUOWWCOPLJM-TZIWHRDSSA-N 1 0 379.504 2.534 50 0 GFAARO CC(C)CCC1=NC(=O)C2(CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)N1 ZINC000055119338 570683338 /nfs/dbraw/zinc/68/33/38/570683338.db2.gz ZMSYBHHNQOASPM-CALCHBBNSA-N 1 0 376.545 2.575 50 0 GFAARO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000240465854 570685213 /nfs/dbraw/zinc/68/52/13/570685213.db2.gz GAVAWSYIZVRERT-UHFFFAOYSA-N 1 0 395.507 2.869 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012590707 570687196 /nfs/dbraw/zinc/68/71/96/570687196.db2.gz COVHKFPDMQLSHG-LJQANCHMSA-N 1 0 396.535 2.831 50 0 GFAARO OCc1ccccc1CN1CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000055325250 570691313 /nfs/dbraw/zinc/69/13/13/570691313.db2.gz KOKZCRLRENERKC-UHFFFAOYSA-N 1 0 376.504 2.742 50 0 GFAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000055359004 570692309 /nfs/dbraw/zinc/69/23/09/570692309.db2.gz ONFJMJAEQDXAKH-SFHVURJKSA-N 1 0 381.476 2.775 50 0 GFAARO CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000058074273 570708957 /nfs/dbraw/zinc/70/89/57/570708957.db2.gz NSGMULKVFHNBGK-GFBDMGBSSA-N 1 0 386.496 2.505 50 0 GFAARO Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cccn3)nc2)[NH+](C)C)cc1 ZINC000058264959 570723728 /nfs/dbraw/zinc/72/37/28/570723728.db2.gz FGOZJCBYBYPBOM-IBGZPJMESA-N 1 0 378.480 2.678 50 0 GFAARO COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024362557 570725480 /nfs/dbraw/zinc/72/54/80/570725480.db2.gz QPULROKMMAEZGI-UHFFFAOYSA-N 1 0 388.489 2.548 50 0 GFAARO COc1ccc(OC)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000058315319 570726775 /nfs/dbraw/zinc/72/67/75/570726775.db2.gz UEBUQGQWYJRZPV-MRXNPFEDSA-N 1 0 397.475 2.653 50 0 GFAARO C[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC000058405540 570731082 /nfs/dbraw/zinc/73/10/82/570731082.db2.gz JAKCPTIFMQUYSZ-HZPDHXFCSA-N 1 0 380.483 2.965 50 0 GFAARO CC[C@H](CO)[N@H+](Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccccc1C ZINC000063844612 570750756 /nfs/dbraw/zinc/75/07/56/570750756.db2.gz YDCIYWFOGKXOEU-GOSISDBHSA-N 1 0 394.537 2.753 50 0 GFAARO O=C(NCCc1ccncc1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256269 570755154 /nfs/dbraw/zinc/75/51/54/570755154.db2.gz KMOVRUCWPNXIPK-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO O=C(NCCc1ccccn1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256263 570755296 /nfs/dbraw/zinc/75/52/96/570755296.db2.gz NPUPMXODSSPEHK-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO COc1cccc([C@@H]2CC[N@H+](Cc3cnc(-c4ccccn4)nc3)C[C@H]2O)c1 ZINC000065373750 570762641 /nfs/dbraw/zinc/76/26/41/570762641.db2.gz QQHFUYVFRDPCQA-PZJWPPBQSA-N 1 0 376.460 2.898 50 0 GFAARO CCN(C(C)=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3c(C)noc3C)cc2)C1 ZINC000065395084 570764999 /nfs/dbraw/zinc/76/49/99/570764999.db2.gz HUBSPXXCAUBWDH-IBGZPJMESA-N 1 0 384.480 2.986 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562338 570782010 /nfs/dbraw/zinc/78/20/10/570782010.db2.gz MIUBQDRLUSYFQE-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000007251268 570820287 /nfs/dbraw/zinc/82/02/87/570820287.db2.gz JVORVSKCVODWRS-LJQANCHMSA-N 1 0 382.508 2.519 50 0 GFAARO COc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CC[NH+](C)CC2)cc1 ZINC000101892695 570838249 /nfs/dbraw/zinc/83/82/49/570838249.db2.gz FSXJZJKKJSELCQ-UHFFFAOYSA-N 1 0 389.459 2.785 50 0 GFAARO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127629 570912790 /nfs/dbraw/zinc/91/27/90/570912790.db2.gz WAYKDBDKHQJYRP-UHFFFAOYSA-N 1 0 380.554 2.812 50 0 GFAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000106629655 570966517 /nfs/dbraw/zinc/96/65/17/570966517.db2.gz PEUQEIXSYPHTSX-KURKYZTESA-N 1 0 397.523 2.780 50 0 GFAARO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107148804 570971107 /nfs/dbraw/zinc/97/11/07/570971107.db2.gz DIRZDXUOSTZEIU-BEFAXECRSA-N 1 0 375.419 2.969 50 0 GFAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)n(C)n3)nc21 ZINC000012229234 570972318 /nfs/dbraw/zinc/97/23/18/570972318.db2.gz PVVHBCPSZVHCTH-UHFFFAOYSA-N 1 0 387.509 2.945 50 0 GFAARO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000027357158 570997611 /nfs/dbraw/zinc/99/76/11/570997611.db2.gz FPSBSDGCZXUBBM-IBGZPJMESA-N 1 0 376.478 2.559 50 0 GFAARO COCc1nc(NCC2(c3ccccc3)CCOCC2)cc(C2CC([NH3+])C2)n1 ZINC000220049002 222598055 /nfs/dbraw/zinc/59/80/55/222598055.db2.gz LNIRQEHXVRNNFC-UHFFFAOYSA-N 1 0 382.508 2.988 50 0 GFAARO Cn1ncc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)c1-n1cccc1 ZINC000409413889 231203460 /nfs/dbraw/zinc/20/34/60/231203460.db2.gz FYSZWAJNVOITGM-UHFFFAOYSA-N 1 0 379.464 2.938 50 0 GFAARO Cc1nc(CC2CCN(C(=O)N[C@@H](C[NH+]3CCCC3)C(C)(C)C)CC2)no1 ZINC000426489872 231228863 /nfs/dbraw/zinc/22/88/63/231228863.db2.gz FWJUWQNCZTXGDT-KRWDZBQOSA-N 1 0 377.533 2.853 50 0 GFAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000426566846 231242118 /nfs/dbraw/zinc/24/21/18/231242118.db2.gz GEWHBSSLRFUOCN-MRXNPFEDSA-N 1 0 379.526 2.881 50 0 GFAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC)c(C)c3)C2)nn1 ZINC000015001362 210143501 /nfs/dbraw/zinc/14/35/01/210143501.db2.gz SUWMGOIAUCRDPA-GOSISDBHSA-N 1 0 385.512 2.914 50 0 GFAARO O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014978309 210138487 /nfs/dbraw/zinc/13/84/87/210138487.db2.gz JHLYKAQJAFCLFS-LJQANCHMSA-N 1 0 395.547 2.905 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3snnc3C)C2)cc1 ZINC000014950589 210132037 /nfs/dbraw/zinc/13/20/37/210132037.db2.gz PCGROZMGWXREOX-QGZVFWFLSA-N 1 0 388.537 2.882 50 0 GFAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@H+](Cc3ccncc3)C2)cn1 ZINC000014747338 210127090 /nfs/dbraw/zinc/12/70/90/210127090.db2.gz LXCPGKDWNFZWKO-LEWJYISDSA-N 1 0 394.519 2.925 50 0 GFAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](C)CC2 ZINC000014742303 210125468 /nfs/dbraw/zinc/12/54/68/210125468.db2.gz LBOPJSXOSIRNKB-UHFFFAOYSA-N 1 0 381.476 2.715 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)n3c4ccccc4oc3=O)cc2)CC1 ZINC000014347799 210116291 /nfs/dbraw/zinc/11/62/91/210116291.db2.gz UHYKKHDRBCQZCM-MRXNPFEDSA-N 1 0 394.475 2.936 50 0 GFAARO CCCOc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014198641 210109780 /nfs/dbraw/zinc/10/97/80/210109780.db2.gz ZWMJBYZSKGSRIS-UHFFFAOYSA-N 1 0 384.480 2.640 50 0 GFAARO Cc1sc2ncn(CCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c(=O)c2c1C ZINC000012918243 210028710 /nfs/dbraw/zinc/02/87/10/210028710.db2.gz VGEZUKLVYMBMFM-KRWDZBQOSA-N 1 0 398.532 2.884 50 0 GFAARO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)N(C)CC(=O)NC2CC2)s1 ZINC000012917873 210027597 /nfs/dbraw/zinc/02/75/97/210027597.db2.gz KPBBFOKFUYOVBL-UHFFFAOYSA-N 1 0 399.560 2.838 50 0 GFAARO COCCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012449369 209961263 /nfs/dbraw/zinc/96/12/63/209961263.db2.gz DURDZVROJKAKDO-UHFFFAOYSA-N 1 0 383.492 2.891 50 0 GFAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[NH+]1CCCCCC1)CCO2 ZINC000006798175 209687304 /nfs/dbraw/zinc/68/73/04/209687304.db2.gz YAHVDVXULDBOCU-UHFFFAOYSA-N 1 0 387.524 2.883 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000006590890 209658969 /nfs/dbraw/zinc/65/89/69/209658969.db2.gz OVCPAMPITIRWMK-NRFANRHFSA-N 1 0 375.472 2.989 50 0 GFAARO CNS(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000006507356 209653516 /nfs/dbraw/zinc/65/35/16/209653516.db2.gz XOFZUMKTWAGWFJ-UHFFFAOYSA-N 1 0 393.553 2.513 50 0 GFAARO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C ZINC000002781174 209383559 /nfs/dbraw/zinc/38/35/59/209383559.db2.gz TXVHCACYJLHXBL-SECBINFHSA-N 1 0 399.255 2.819 50 0 GFAARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000002626561 209372488 /nfs/dbraw/zinc/37/24/88/209372488.db2.gz CJMDFGCJUDSLRG-INIZCTEOSA-N 1 0 388.464 2.510 50 0 GFAARO COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002403059 209361592 /nfs/dbraw/zinc/36/15/92/209361592.db2.gz VSOVXBUPQBIAPJ-LJQANCHMSA-N 1 0 378.428 2.908 50 0 GFAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000001902313 209342788 /nfs/dbraw/zinc/34/27/88/209342788.db2.gz VCNNFWMSDYLBFS-FQEVSTJZSA-N 1 0 382.460 2.948 50 0 GFAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccon1 ZINC000010333963 209330722 /nfs/dbraw/zinc/33/07/22/209330722.db2.gz BWSBIPYPWOGIEH-GOSISDBHSA-N 1 0 378.432 2.720 50 0 GFAARO CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000001242815 209317685 /nfs/dbraw/zinc/31/76/85/209317685.db2.gz AKSHGIDLVZOMDI-NRFANRHFSA-N 1 0 395.503 2.751 50 0 GFAARO O=C(CCn1ncc(=O)c2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000009515449 209276423 /nfs/dbraw/zinc/27/64/23/209276423.db2.gz AFWXSDPQGXLWOL-UHFFFAOYSA-N 1 0 390.487 2.699 50 0 GFAARO CCn1nc(C)c(CN2CCOc3ccc(C4(O)CC[NH+](C)CC4)cc3C2)c1C ZINC000299773934 212034631 /nfs/dbraw/zinc/03/46/31/212034631.db2.gz GXRZMZUGJRGYRE-UHFFFAOYSA-N 1 0 398.551 2.828 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccccc3-n3cccn3)cc2C1 ZINC000299761429 212032961 /nfs/dbraw/zinc/03/29/61/212032961.db2.gz WMYDLGLJZFHRIN-UHFFFAOYSA-N 1 0 378.480 2.615 50 0 GFAARO COc1ccc(C)nc1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000299762850 212032591 /nfs/dbraw/zinc/03/25/91/212032591.db2.gz CBBIENIQUZTOOD-LJQANCHMSA-N 1 0 383.492 2.642 50 0 GFAARO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cc1 ZINC000221899677 211795467 /nfs/dbraw/zinc/79/54/67/211795467.db2.gz WDSJFRMSDNSHNF-YHYXMXQVSA-N 1 0 394.475 2.720 50 0 GFAARO CC(C)c1cc(NC(=O)NCCCN2CC[NH+](C)CC2)n(-c2ccccc2)n1 ZINC000097797548 211373585 /nfs/dbraw/zinc/37/35/85/211373585.db2.gz NAXHYJFNJQVPKK-UHFFFAOYSA-N 1 0 384.528 2.755 50 0 GFAARO CSCCC(=O)N1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097717071 211371040 /nfs/dbraw/zinc/37/10/40/211371040.db2.gz NOCBDPOGYIRJSZ-LJQANCHMSA-N 1 0 376.566 2.863 50 0 GFAARO CN(C(=O)Nc1cccc(-c2nnn(C)n2)c1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097675300 211370518 /nfs/dbraw/zinc/37/05/18/211370518.db2.gz FZJVUJAEFHJCCU-SFHVURJKSA-N 1 0 379.468 2.644 50 0 GFAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 ZINC000097636724 211369121 /nfs/dbraw/zinc/36/91/21/211369121.db2.gz YHSZVAICABWFDR-KRWDZBQOSA-N 1 0 382.512 2.509 50 0 GFAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000097610120 211368584 /nfs/dbraw/zinc/36/85/84/211368584.db2.gz MWFHXWMIZGKGNY-HXUWFJFHSA-N 1 0 376.460 2.880 50 0 GFAARO CN(CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(F)(F)F ZINC000097438514 211365671 /nfs/dbraw/zinc/36/56/71/211365671.db2.gz UEBQNRKOAZPGEZ-UHFFFAOYSA-N 1 0 396.523 2.531 50 0 GFAARO CC(=O)Nc1ccc(F)c(NC(=O)N2CCC([NH+]3CCSCC3)CC2)c1 ZINC000096130361 211304335 /nfs/dbraw/zinc/30/43/35/211304335.db2.gz GBPLSYZXJYMDHG-UHFFFAOYSA-N 1 0 380.489 2.829 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096138936 211307151 /nfs/dbraw/zinc/30/71/51/211307151.db2.gz FGEWGKLEYZTCKS-UHFFFAOYSA-N 1 0 389.931 2.680 50 0 GFAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC000095939124 211284679 /nfs/dbraw/zinc/28/46/79/211284679.db2.gz UTBBBJFCODTSID-FJIDUMEYSA-N 1 0 379.545 2.726 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C2)cc1 ZINC000095525554 211272026 /nfs/dbraw/zinc/27/20/26/211272026.db2.gz LTLZRLITGWOANC-RBUKOAKNSA-N 1 0 385.512 2.813 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]c1 ZINC000095524350 211269816 /nfs/dbraw/zinc/26/98/16/211269816.db2.gz WLWSSORVXUKZMD-SFHVURJKSA-N 1 0 381.520 2.983 50 0 GFAARO O=C(Cc1c(F)cccc1Cl)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095520088 211268389 /nfs/dbraw/zinc/26/83/89/211268389.db2.gz HTMXHKKQHCSWOM-MRXNPFEDSA-N 1 0 376.859 2.727 50 0 GFAARO COc1ccccc1[C@H]1CNC(=O)c2[nH]c(CC[NH+]3CCC(C)CC3)nc2C1 ZINC000095518516 211264722 /nfs/dbraw/zinc/26/47/22/211264722.db2.gz YHRUICXZKSKQQD-MRXNPFEDSA-N 1 0 382.508 2.762 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095511584 211261792 /nfs/dbraw/zinc/26/17/92/211261792.db2.gz JXHUUOZEPIOAEA-QGZVFWFLSA-N 1 0 384.480 2.583 50 0 GFAARO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CCc3sccc3C2)c1 ZINC000095508719 211258814 /nfs/dbraw/zinc/25/88/14/211258814.db2.gz ZGCBCXLLSWVTSE-KRWDZBQOSA-N 1 0 376.522 2.616 50 0 GFAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095505070 211256835 /nfs/dbraw/zinc/25/68/35/211256835.db2.gz ZBLZQWCQFGQKOO-FQEVSTJZSA-N 1 0 381.524 2.908 50 0 GFAARO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095502779 211255316 /nfs/dbraw/zinc/25/53/16/211255316.db2.gz WJMGHBCEHZACSI-KRWDZBQOSA-N 1 0 387.553 2.970 50 0 GFAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cnc(C)nc2)CC1 ZINC000095501682 211253507 /nfs/dbraw/zinc/25/35/07/211253507.db2.gz CSYDZUUDTDIFDM-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095391690 211236853 /nfs/dbraw/zinc/23/68/53/211236853.db2.gz IBFSFLUMQGEIAM-GOSISDBHSA-N 1 0 377.448 2.871 50 0 GFAARO COCCOc1cc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)ccn1 ZINC000095464629 211244117 /nfs/dbraw/zinc/24/41/17/211244117.db2.gz XQJILCFBLZHFHE-GOSISDBHSA-N 1 0 388.468 2.540 50 0 GFAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095360650 211224043 /nfs/dbraw/zinc/22/40/43/211224043.db2.gz LSCKXVYZRURFCH-OXJNMPFZSA-N 1 0 380.492 2.792 50 0 GFAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc31)CC2 ZINC000095383427 211235316 /nfs/dbraw/zinc/23/53/16/211235316.db2.gz YAGLHVBIOMUNDH-HXUWFJFHSA-N 1 0 383.536 2.509 50 0 GFAARO O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388385 211234300 /nfs/dbraw/zinc/23/43/00/211234300.db2.gz OFWAQLAGMQSIDW-IOMROCGXSA-N 1 0 378.476 2.695 50 0 GFAARO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000095379636 211232900 /nfs/dbraw/zinc/23/29/00/211232900.db2.gz KMDPTGOMSRFHIJ-ZWKOTPCHSA-N 1 0 385.512 2.563 50 0 GFAARO CCn1c(C)ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1=O ZINC000095375184 211230320 /nfs/dbraw/zinc/23/03/20/211230320.db2.gz GIKXEKQTVJFRSL-VQTJNVASSA-N 1 0 379.504 2.913 50 0 GFAARO O=C(NCc1ccco1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363776 211225946 /nfs/dbraw/zinc/22/59/46/211225946.db2.gz YLVMLFSMFJWHTI-IOMROCGXSA-N 1 0 395.459 2.780 50 0 GFAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000095365494 211225711 /nfs/dbraw/zinc/22/57/11/211225711.db2.gz QLOXLKHGRNRENA-LSDHHAIUSA-N 1 0 387.421 2.829 50 0 GFAARO c1c(-c2cn(-c3ccccc3)nc2-c2ccccc2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000095363726 211224892 /nfs/dbraw/zinc/22/48/92/211224892.db2.gz DRWAGVXBEBOZGE-LJQANCHMSA-N 1 0 386.459 2.786 50 0 GFAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)ccc1=O ZINC000091872566 211210281 /nfs/dbraw/zinc/21/02/81/211210281.db2.gz BQRIFYFVLSFKSY-PZJWPPBQSA-N 1 0 379.504 2.555 50 0 GFAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(F)cc1)CC2 ZINC000091943132 211209907 /nfs/dbraw/zinc/20/99/07/211209907.db2.gz QTLWHDNAXJDMEC-UHFFFAOYSA-N 1 0 376.476 2.624 50 0 GFAARO C[C@H](C[NH+]1CCCC1)C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000091665821 211204431 /nfs/dbraw/zinc/20/44/31/211204431.db2.gz FLNKAGZAHLHYJU-GOSISDBHSA-N 1 0 381.524 2.764 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(F)cc1 ZINC000091657342 211200472 /nfs/dbraw/zinc/20/04/72/211200472.db2.gz OLPLBXWOBHMPFW-SFHVURJKSA-N 1 0 380.423 2.609 50 0 GFAARO O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091563105 211196443 /nfs/dbraw/zinc/19/64/43/211196443.db2.gz PFIIGKFEKGFRMI-RTBURBONSA-N 1 0 382.508 2.633 50 0 GFAARO CCc1c(C)scc1C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091860514 211207516 /nfs/dbraw/zinc/20/75/16/211207516.db2.gz SZAYJTHXFCGMGG-APWZRJJASA-N 1 0 380.554 2.554 50 0 GFAARO CC[NH+]1CCN(CCCNC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)CC1 ZINC000085577728 211176174 /nfs/dbraw/zinc/17/61/74/211176174.db2.gz VXACXLLTTMVEHB-UHFFFAOYSA-N 1 0 379.508 2.782 50 0 GFAARO O=C1Nc2ccccc2NC12CC[NH+]([C@H]1CCC(=O)N(CC3CC3)CC1)CC2 ZINC000082120020 211162089 /nfs/dbraw/zinc/16/20/89/211162089.db2.gz VNKNIGLXQHWYJU-KRWDZBQOSA-N 1 0 382.508 2.676 50 0 GFAARO C[NH+](C)C1(CNC(=O)CCc2nc3cc(Br)cnc3[nH]2)CCCC1 ZINC000079490763 211158265 /nfs/dbraw/zinc/15/82/65/211158265.db2.gz LLUDJXAMAASHLR-UHFFFAOYSA-N 1 0 394.317 2.644 50 0 GFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1ccc(F)cc1 ZINC000079502083 211157881 /nfs/dbraw/zinc/15/78/81/211157881.db2.gz CUDZPPPCKJKZQB-UHFFFAOYSA-N 1 0 388.439 2.850 50 0 GFAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000040597243 211157950 /nfs/dbraw/zinc/15/79/50/211157950.db2.gz OUKCDOMPBHCZTN-SNVBAGLBSA-N 1 0 381.723 2.723 50 0 GFAARO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079474095 211156838 /nfs/dbraw/zinc/15/68/38/211156838.db2.gz SAFKUIUZYFNLQU-GOSISDBHSA-N 1 0 399.560 2.629 50 0 GFAARO Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1I ZINC000079057390 211154913 /nfs/dbraw/zinc/15/49/13/211154913.db2.gz VYMNAUSHPPPTFO-WCQYABFASA-N 1 0 384.261 2.955 50 0 GFAARO CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000079049367 211152596 /nfs/dbraw/zinc/15/25/96/211152596.db2.gz TUTSWFLNTWZICH-BGYRXZFFSA-N 1 0 398.528 2.684 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)C[C@H]2[NH+](C)C)cc1 ZINC000077489467 211136829 /nfs/dbraw/zinc/13/68/29/211136829.db2.gz ZHNHMTKKOQKHRB-PZJWPPBQSA-N 1 0 379.504 2.732 50 0 GFAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2ccn(Cc3ccccc3)c2c1 ZINC000077343523 211130884 /nfs/dbraw/zinc/13/08/84/211130884.db2.gz JPUGZARRUBLUOZ-IRLDBZIGSA-N 1 0 376.504 2.727 50 0 GFAARO COCCc1noc(-c2ccc(N3CCCN(c4cc[nH+]cc4C)CC3)nc2)n1 ZINC000072419690 211115561 /nfs/dbraw/zinc/11/55/61/211115561.db2.gz XTVFXZMZXSGQQG-UHFFFAOYSA-N 1 0 394.479 2.741 50 0 GFAARO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000072418891 211116826 /nfs/dbraw/zinc/11/68/26/211116826.db2.gz WLBZRUWFJYVVOD-SFHVURJKSA-N 1 0 385.475 2.894 50 0 GFAARO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000072304982 211087085 /nfs/dbraw/zinc/08/70/85/211087085.db2.gz LGKGMYWJUMNVGA-PXNSSMCTSA-N 1 0 388.556 2.912 50 0 GFAARO COc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)cc(Cl)c1OCC(C)C ZINC000072306590 211086521 /nfs/dbraw/zinc/08/65/21/211086521.db2.gz QNIOOCMERMVLHP-UHFFFAOYSA-N 1 0 384.904 2.570 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)cc1OC ZINC000072170243 211080449 /nfs/dbraw/zinc/08/04/49/211080449.db2.gz PRSUHTKLIZARLS-KRWDZBQOSA-N 1 0 386.496 2.514 50 0 GFAARO O=C(c1ccncc1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072168181 211080334 /nfs/dbraw/zinc/08/03/34/211080334.db2.gz DJKFOQBGZQMJBA-DUXKGJEZSA-N 1 0 377.444 2.513 50 0 GFAARO C[C@@H]1CCC[C@@H]([N@H+](CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000071856408 211064397 /nfs/dbraw/zinc/06/43/97/211064397.db2.gz IFFDLLDLBFSSBX-ZHALLVOQSA-N 1 0 388.508 2.901 50 0 GFAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(CC(F)F)CC2)C1 ZINC000071753969 211058318 /nfs/dbraw/zinc/05/83/18/211058318.db2.gz DGEAYEMAPSIMFA-SFHVURJKSA-N 1 0 379.495 2.787 50 0 GFAARO CS(=O)(=O)c1cnc(COc2ccc(Cl)cc2)nc1[C@H]1CCC[NH2+]C1 ZINC000071440111 211049776 /nfs/dbraw/zinc/04/97/76/211049776.db2.gz UFMKQVOCJAXJDF-LBPRGKRZSA-N 1 0 381.885 2.580 50 0 GFAARO C[C@@H]1CN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)CC[N@@H+]1C ZINC000071440547 211048485 /nfs/dbraw/zinc/04/84/85/211048485.db2.gz VSKYVHVYBJDLOZ-GOSISDBHSA-N 1 0 391.519 2.742 50 0 GFAARO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000090608954 211036601 /nfs/dbraw/zinc/03/66/01/211036601.db2.gz XNIFDJSMPOKNCL-LBPRGKRZSA-N 1 0 398.472 2.643 50 0 GFAARO COc1ccc2cc(C[NH+]3CCC([C@@H](O)c4ccccn4)CC3)c(=O)[nH]c2c1 ZINC000067817068 211023066 /nfs/dbraw/zinc/02/30/66/211023066.db2.gz RQVFWQNDDCMXHM-OAQYLSRUSA-N 1 0 379.460 2.877 50 0 GFAARO CC[C@H]1CN(c2ccc(C(=O)NCCCc3ccc(OC)cc3)cn2)CC[NH2+]1 ZINC000067934212 211028981 /nfs/dbraw/zinc/02/89/81/211028981.db2.gz LMTADYUARGIWPQ-IBGZPJMESA-N 1 0 382.508 2.641 50 0 GFAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067757195 211021528 /nfs/dbraw/zinc/02/15/28/211021528.db2.gz WLMLPWVFXKZNQO-HNNXBMFYSA-N 1 0 388.899 2.815 50 0 GFAARO CCN1CCC[N@H+](C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067742957 211019733 /nfs/dbraw/zinc/01/97/33/211019733.db2.gz JWEWMFXRAPHCLR-HSZRJFAPSA-N 1 0 387.568 2.691 50 0 GFAARO Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n(CC[NH+](C)C)n1 ZINC000067722848 211019091 /nfs/dbraw/zinc/01/90/91/211019091.db2.gz JARDZOVUEYRWLK-GOSISDBHSA-N 1 0 376.888 2.620 50 0 GFAARO CC(=O)N(C)c1ccc(NC(=O)C[NH2+]C[C@H](O)c2ccccc2Cl)cc1 ZINC000065380555 210990137 /nfs/dbraw/zinc/99/01/37/210990137.db2.gz SXYPDHVSZIMLSI-SFHVURJKSA-N 1 0 375.856 2.584 50 0 GFAARO COc1cc(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000047416287 210840211 /nfs/dbraw/zinc/84/02/11/210840211.db2.gz DZRLJRZKJYVCTD-HZPDHXFCSA-N 1 0 378.513 2.739 50 0 GFAARO C[C@H](C(=O)NCCC[NH+]1CCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944845 210606844 /nfs/dbraw/zinc/60/68/44/210606844.db2.gz LQUHGAUAAOMIKB-CYBMUJFWSA-N 1 0 396.413 2.578 50 0 GFAARO COc1ccc(OC)c(CNC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c1 ZINC000426566784 532960699 /nfs/dbraw/zinc/96/06/99/532960699.db2.gz BGMQWBIRPXLRFB-LJQANCHMSA-N 1 0 383.492 2.902 50 0 GFAARO CCc1ccc([C@@H]([NH2+]CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C(C)C)cc1 ZINC000024747465 210469710 /nfs/dbraw/zinc/46/97/10/210469710.db2.gz DRMFFKOGFRYAJI-IRLDBZIGSA-N 1 0 395.503 2.815 50 0 GFAARO CC[NH+](CC)CCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538796 210386168 /nfs/dbraw/zinc/38/61/68/210386168.db2.gz WJQSWWIEFHXCMJ-UHFFFAOYSA-N 1 0 387.553 2.880 50 0 GFAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3cc(Cl)ccc3OC)c(C)n2)CC1 ZINC000021035224 210375525 /nfs/dbraw/zinc/37/55/25/210375525.db2.gz AOZGVHYKWOQEPG-UHFFFAOYSA-N 1 0 389.887 2.841 50 0 GFAARO COc1c(Cl)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000020928435 210371630 /nfs/dbraw/zinc/37/16/30/210371630.db2.gz BNJBZSIRLHUWCM-UHFFFAOYSA-N 1 0 389.304 2.982 50 0 GFAARO O=C(c1ccccn1)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000020910474 210369243 /nfs/dbraw/zinc/36/92/43/210369243.db2.gz DLLGGDFUUOUJBM-RTWAWAEBSA-N 1 0 377.488 2.767 50 0 GFAARO COCc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cn1 ZINC000426526329 533291486 /nfs/dbraw/zinc/29/14/86/533291486.db2.gz YEJCOGPMSPNCFP-BBTUJRGHSA-N 1 0 384.480 2.609 50 0 GFAARO COc1ccc(CCNC(=O)N2CCC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000426649682 533484236 /nfs/dbraw/zinc/48/42/36/533484236.db2.gz NTFGZOBRQRXMBS-GOSISDBHSA-N 1 0 375.513 2.764 50 0 GFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C=C12 ZINC000061999454 136156149 /nfs/dbraw/zinc/15/61/49/136156149.db2.gz QMXFHCWSZYVELT-DKAJDXDZSA-N 1 0 396.535 2.913 50 0 GFAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799721 136157741 /nfs/dbraw/zinc/15/77/41/136157741.db2.gz DSYXVMARWNXQKA-UHFFFAOYSA-N 1 0 387.434 2.626 50 0 GFAARO Cc1ccc(CNC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)o1 ZINC000064957314 136158380 /nfs/dbraw/zinc/15/83/80/136158380.db2.gz PLMXYIIHERFOLH-UHFFFAOYSA-N 1 0 385.493 2.583 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3ncnc4ccsc43)CC2)C1)N1CCCC1 ZINC000071763962 136166362 /nfs/dbraw/zinc/16/63/62/136166362.db2.gz QRQCCRNEQKDBBZ-INIZCTEOSA-N 1 0 399.564 2.995 50 0 GFAARO Cc1cc(N2CCO[C@@H](C(=O)NCCc3ccncc3)C2)c2ccccc2[nH+]1 ZINC000072411274 136169720 /nfs/dbraw/zinc/16/97/20/136169720.db2.gz JPTDFGFUEXLSCP-OAQYLSRUSA-N 1 0 376.460 2.502 50 0 GFAARO CC(C)=CC[N@@H+]1CCN(c2nccc(-c3ccc(C)nc3C)n2)C[C@H]1CCO ZINC000072447875 136170811 /nfs/dbraw/zinc/17/08/11/136170811.db2.gz VKZNJRAGRLHSRA-LJQANCHMSA-N 1 0 381.524 2.995 50 0 GFAARO Cc1cc(N2CCC([NH2+]Cc3nnc(N)s3)CC2)nc(-c2ccccc2)n1 ZINC000096137907 136184369 /nfs/dbraw/zinc/18/43/69/136184369.db2.gz XTYYKNULWXFAOT-UHFFFAOYSA-N 1 0 381.509 2.644 50 0 GFAARO [NH3+]Cc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)o1 ZINC000237955510 136192434 /nfs/dbraw/zinc/19/24/34/136192434.db2.gz GNFWAAHIRNHBSB-UHFFFAOYSA-N 1 0 388.777 2.768 50 0 GFAARO O=C(c1c(F)cccc1F)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697937 136199837 /nfs/dbraw/zinc/19/98/37/136199837.db2.gz YBWPLOVZYRXBPI-UHFFFAOYSA-N 1 0 396.401 2.856 50 0 GFAARO Cc1ncccc1OC1(C(=O)N2CCc3c([nH]c4ccccc43)C2)CC[NH2+]CC1 ZINC000067588832 222150138 /nfs/dbraw/zinc/15/01/38/222150138.db2.gz CUUHPKQIAAHMMY-UHFFFAOYSA-N 1 0 390.487 2.957 50 0 GFAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000426647333 534617154 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CC[NH+](CC)CCNC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000022704444 570325336 /nfs/dbraw/zinc/32/53/36/570325336.db2.gz YCWQAXILLAGUCG-UHFFFAOYSA-N 1 0 399.491 2.784 50 0 GFAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000075352853 570326054 /nfs/dbraw/zinc/32/60/54/570326054.db2.gz XEXYHJKLJPOWLX-OAHLLOKOSA-N 1 0 377.529 2.979 50 0 GFAARO c1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851586 570331474 /nfs/dbraw/zinc/33/14/74/570331474.db2.gz CBWPKQRMQGJTMP-OAQYLSRUSA-N 1 0 394.519 2.593 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005008023 570393965 /nfs/dbraw/zinc/39/39/65/570393965.db2.gz WUTNMZBNDCXDCH-UHFFFAOYSA-N 1 0 375.538 2.869 50 0 GFAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000024880422 570397582 /nfs/dbraw/zinc/39/75/82/570397582.db2.gz COOYACSVPNIEFD-AWEZNQCLSA-N 1 0 390.509 2.561 50 0 GFAARO Cc1ccc(C)c(OC2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)c1 ZINC000237854454 570406672 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GFAARO Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000012588373 570686168 /nfs/dbraw/zinc/68/61/68/570686168.db2.gz LFQDQSKPGLEHAK-KRWDZBQOSA-N 1 0 379.932 2.702 50 0 GFAARO COc1ccc2c(c1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)CCC2 ZINC000242287989 570689291 /nfs/dbraw/zinc/68/92/91/570689291.db2.gz YKBWWCHAHPNATI-OAHLLOKOSA-N 1 0 375.513 2.740 50 0 GFAARO O=C(NCc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012707503 570700953 /nfs/dbraw/zinc/70/09/53/570700953.db2.gz LQGLFKFNKYGLGU-SFHVURJKSA-N 1 0 387.499 2.555 50 0 GFAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012709459 570701736 /nfs/dbraw/zinc/70/17/36/570701736.db2.gz KVSVHNIJNAHQPJ-HXUWFJFHSA-N 1 0 391.519 2.844 50 0 GFAARO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795507 570715708 /nfs/dbraw/zinc/71/57/08/570715708.db2.gz FNRHUHTXECMFNT-UHFFFAOYSA-N 1 0 399.466 2.840 50 0 GFAARO COc1cc(CC(=O)N2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000058200916 570718710 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COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000032769179 570803902 /nfs/dbraw/zinc/80/39/02/570803902.db2.gz PMYHHOBPXDWADV-QGZVFWFLSA-N 1 0 387.505 2.802 50 0 GFAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 ZINC000170120587 570807018 /nfs/dbraw/zinc/80/70/18/570807018.db2.gz XZRRTMSHZRQGLG-AWEZNQCLSA-N 1 0 381.517 2.875 50 0 GFAARO Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C2=O ZINC000065497126 570826247 /nfs/dbraw/zinc/82/62/47/570826247.db2.gz XUMGEKJXOYCOIR-KUHUBIRLSA-N 1 0 397.450 2.538 50 0 GFAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000065516503 570829186 /nfs/dbraw/zinc/82/91/86/570829186.db2.gz PHMOGKIGUBIGST-AWEZNQCLSA-N 1 0 381.314 2.565 50 0 GFAARO CN(CC(F)(F)F)C(=O)CN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000170599735 570857759 /nfs/dbraw/zinc/85/77/59/570857759.db2.gz RQQUCQUINQLJHJ-IHRRRGAJSA-N 1 0 378.435 2.982 50 0 GFAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)C1 ZINC000033264215 570882801 /nfs/dbraw/zinc/88/28/01/570882801.db2.gz SWDDXCGVMYMIIM-HXUWFJFHSA-N 1 0 386.540 2.811 50 0 GFAARO COc1ccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)cc1OC ZINC000104971111 570910842 /nfs/dbraw/zinc/91/08/42/570910842.db2.gz BLGYYDZTZGPETQ-ZWKOTPCHSA-N 1 0 381.513 2.861 50 0 GFAARO O=C(NCc1ccc(F)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127516 570912292 /nfs/dbraw/zinc/91/22/92/570912292.db2.gz FLBLUBOXFHELQB-UHFFFAOYSA-N 1 0 389.496 2.532 50 0 GFAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000011753795 570961164 /nfs/dbraw/zinc/96/11/64/570961164.db2.gz LESYKIMINXSROZ-FQEVSTJZSA-N 1 0 392.540 2.580 50 0 GFAARO O=C(OCc1ccccc1)N1CCC(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000194566222 571013061 /nfs/dbraw/zinc/01/30/61/571013061.db2.gz FKNFJKPQISOFBL-UHFFFAOYSA-N 1 0 399.535 2.980 50 0 GFAARO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)cc1Cl ZINC000096099721 655030323 /nfs/dbraw/zinc/03/03/23/655030323.db2.gz KOSRKPZYXMXSNZ-CYBMUJFWSA-N 1 0 393.336 2.522 50 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210190165 /nfs/dbraw/zinc/19/01/65/210190165.db2.gz XSCZJTOKZUXIPZ-FQEVSTJZSA-N 1 0 393.487 2.790 50 0 GFAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022112 210183724 /nfs/dbraw/zinc/18/37/24/210183724.db2.gz HLHRORSILUDCPX-FTIRYDQDSA-N 1 0 389.883 2.515 50 0 GFAARO CCOC(=O)c1ccc(-n2nnnc2C2([NH2+]C)C3CC4CC(C3)CC2C4)cc1 ZINC000015414405 210158821 /nfs/dbraw/zinc/15/88/21/210158821.db2.gz ARQWZWGFGVTKFK-UHFFFAOYSA-N 1 0 381.480 2.710 50 0 GFAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000015077256 210149654 /nfs/dbraw/zinc/14/96/54/210149654.db2.gz HTSYGHSQSJHRAE-HXUWFJFHSA-N 1 0 383.536 2.724 50 0 GFAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C(C)(C)CO ZINC000015064996 210145137 /nfs/dbraw/zinc/14/51/37/210145137.db2.gz OWESWXCXANLVKG-UHFFFAOYSA-N 1 0 386.521 2.571 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C ZINC000015008373 210144171 /nfs/dbraw/zinc/14/41/71/210144171.db2.gz GBYNFTRCFRVWOD-AWEZNQCLSA-N 1 0 391.541 2.662 50 0 GFAARO O=C(c1cn(C[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)nn1)N1CCCC1 ZINC000015000839 210143112 /nfs/dbraw/zinc/14/31/12/210143112.db2.gz UMPHGOWNFZQSGU-HXUWFJFHSA-N 1 0 381.524 2.859 50 0 GFAARO COc1cc2cc(C[NH2+]CCCO)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000014987194 210141403 /nfs/dbraw/zinc/14/14/03/210141403.db2.gz VGWPFAVHHKLWGI-UHFFFAOYSA-N 1 0 396.487 2.847 50 0 GFAARO O=C(CCc1cccs1)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014973614 210135561 /nfs/dbraw/zinc/13/55/61/210135561.db2.gz YQIHBOJAZHJEOI-INIZCTEOSA-N 1 0 389.565 2.662 50 0 GFAARO O=C(CC1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014960072 210133208 /nfs/dbraw/zinc/13/32/08/210133208.db2.gz ORWDULMDLRLSSL-HXUWFJFHSA-N 1 0 383.536 2.806 50 0 GFAARO O=C(CC1CCCCC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014950123 210130638 /nfs/dbraw/zinc/13/06/38/210130638.db2.gz AYQLAOWBYJBDCY-SFHVURJKSA-N 1 0 375.557 2.938 50 0 GFAARO CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(CCOC)C(=O)N2Cc1ccccc1 ZINC000014532129 210120041 /nfs/dbraw/zinc/12/00/41/210120041.db2.gz YCIICRYCFCYZFR-GOSISDBHSA-N 1 0 387.524 2.978 50 0 GFAARO C[C@H]([NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl ZINC000012794523 210010953 /nfs/dbraw/zinc/01/09/53/210010953.db2.gz OHONVWJWFLIXJZ-ZDUSSCGKSA-N 1 0 392.887 2.667 50 0 GFAARO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012612819 209985286 /nfs/dbraw/zinc/98/52/86/209985286.db2.gz NTASZSHQWBVGBL-IBGZPJMESA-N 1 0 378.561 2.541 50 0 GFAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncnc3c4cc(F)ccc4[nH]c32)CC1 ZINC000005156045 209575377 /nfs/dbraw/zinc/57/53/77/209575377.db2.gz VDPLPKGTBQTFQW-UHFFFAOYSA-N 1 0 396.470 2.560 50 0 GFAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccccc1C ZINC000004998064 209556092 /nfs/dbraw/zinc/55/60/92/209556092.db2.gz YOSIRMXFPHFCBV-UHFFFAOYSA-N 1 0 399.520 2.988 50 0 GFAARO O=S(=O)(c1ccccc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000001457260 209329436 /nfs/dbraw/zinc/32/94/36/209329436.db2.gz BKUBHUUKMSUPKX-UHFFFAOYSA-N 1 0 385.533 2.662 50 0 GFAARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000895899 209277465 /nfs/dbraw/zinc/27/74/65/209277465.db2.gz YURYIHUWULIMBM-FQEVSTJZSA-N 1 0 388.533 2.955 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1O[C@H]1CCOC1 ZINC000253400877 209217736 /nfs/dbraw/zinc/21/77/36/209217736.db2.gz MBZCGTVIRXGZHJ-IBGZPJMESA-N 1 0 381.476 2.644 50 0 GFAARO Cc1nn(-c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000195118214 212076913 /nfs/dbraw/zinc/07/69/13/212076913.db2.gz HKBYNQRHAXUDKC-AWEZNQCLSA-N 1 0 377.286 2.815 50 0 GFAARO CC[C@H]1CN(CC(=O)NCC[C@H]2CCC[N@@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771514 212035594 /nfs/dbraw/zinc/03/55/94/212035594.db2.gz PXHRDUSIZPMQND-MSOLQXFVSA-N 1 0 379.932 2.914 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)[C@@H](O)c3cccc(Cl)c3)cc2C1 ZINC000299761643 212032556 /nfs/dbraw/zinc/03/25/56/212032556.db2.gz YNQZJFYHFIJGAI-SFHVURJKSA-N 1 0 376.888 2.502 50 0 GFAARO COc1cc(C[NH2+]C[C@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000108880408 209165189 /nfs/dbraw/zinc/16/51/89/209165189.db2.gz WPULDPMTLOXXQT-CQSZACIVSA-N 1 0 390.867 2.869 50 0 GFAARO C[NH+](C)CCC[NH2+][C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000056964132 211770414 /nfs/dbraw/zinc/77/04/14/211770414.db2.gz MIHJKKLTYAJZEH-LJQANCHMSA-N 1 0 385.464 2.802 50 0 GFAARO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000120250315 211476001 /nfs/dbraw/zinc/47/60/01/211476001.db2.gz GFMDGIKOIQJFSD-RBUKOAKNSA-N 1 0 385.895 2.549 50 0 GFAARO O=C(CN1CC[NH+]([C@@H]2CC[C@H]3SCCS[C@@H]32)CC1)Nc1ccc(F)cc1 ZINC000097165327 211360587 /nfs/dbraw/zinc/36/05/87/211360587.db2.gz FUPLTKWTKGAMQE-ZHALLVOQSA-N 1 0 395.569 2.761 50 0 GFAARO O=C(c1cc[nH]c1)N1CCC2(CC[NH+](CCc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097447094 211365259 /nfs/dbraw/zinc/36/52/59/211365259.db2.gz KDQDYTUXGZXKKG-OAQYLSRUSA-N 1 0 381.520 2.794 50 0 GFAARO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)n1 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C[C@H](C(=O)NC1CC1)[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095520614 211266510 /nfs/dbraw/zinc/26/65/10/211266510.db2.gz IJOXVNNSKIZEGS-OAHLLOKOSA-N 1 0 389.927 2.822 50 0 GFAARO COc1cc(C(=O)NCCc2scnc2C)ccc1OC1CC[NH+](C)CC1 ZINC000095512020 211262543 /nfs/dbraw/zinc/26/25/43/211262543.db2.gz QONZGLGENQLMST-UHFFFAOYSA-N 1 0 389.521 2.906 50 0 GFAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)N1CCN(C)CC1 ZINC000095508619 211260545 /nfs/dbraw/zinc/26/05/45/211260545.db2.gz NDYMAFQAVTVBEN-UHFFFAOYSA-N 1 0 392.975 2.894 50 0 GFAARO O=C(CCC1CCN(Cc2ncc[nH]2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095505371 211258203 /nfs/dbraw/zinc/25/82/03/211258203.db2.gz SEPBJFWKFDBOJK-NRFANRHFSA-N 1 0 395.551 2.793 50 0 GFAARO COc1ccc([C@@H]2CN(CCn3c4ccccc4oc3=O)C[C@H]2[NH+](C)C)cc1 ZINC000095504218 211254798 /nfs/dbraw/zinc/25/47/98/211254798.db2.gz OJXLHUBFRQFOCW-AZUAARDMSA-N 1 0 381.476 2.633 50 0 GFAARO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000095408115 211239626 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CC1(C)CC(NC(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)CC(C)(C)[NH2+]1 ZINC000067754872 211019117 /nfs/dbraw/zinc/01/91/17/211019117.db2.gz AIJYGEKSOHQSSD-UHFFFAOYSA-N 1 0 380.496 2.847 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000067742258 211018512 /nfs/dbraw/zinc/01/85/12/211018512.db2.gz TZPMNZTZVWLBMN-MRXNPFEDSA-N 1 0 377.479 2.920 50 0 GFAARO COc1cc(OC)cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2[nH]cnc2C)C3)c1 ZINC000067688596 211017916 /nfs/dbraw/zinc/01/79/16/211017916.db2.gz NEYGYECPJCHAPN-QFIPXVFZSA-N 1 0 398.507 2.864 50 0 GFAARO C[N@@H+]1CC[C@](C)(CNC(=O)c2cc(COc3cccc4cccnc43)on2)C1 ZINC000067674246 211014708 /nfs/dbraw/zinc/01/47/08/211014708.db2.gz WGSIZQRUMBFXJX-OAQYLSRUSA-N 1 0 380.448 2.873 50 0 GFAARO Cc1cccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccc4nonc4c3)C2=O)c1 ZINC000067649500 211014429 /nfs/dbraw/zinc/01/44/29/211014429.db2.gz YURKHZZIMZJYNO-JOCHJYFZSA-N 1 0 394.475 2.517 50 0 GFAARO Cc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000067613313 211013072 /nfs/dbraw/zinc/01/30/72/211013072.db2.gz IAHJWQPNRWCKHC-UHFFFAOYSA-N 1 0 387.434 2.626 50 0 GFAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccc(Br)o2)[nH+]1 ZINC000067623091 211012594 /nfs/dbraw/zinc/01/25/94/211012594.db2.gz KTCOVPFJFATCNI-UHFFFAOYSA-N 1 0 394.273 2.583 50 0 GFAARO O=C(CN1CCC([N@@H+]2CCC[C@H](CO)C2)CC1)Nc1ccc(Cl)cc1F ZINC000065398875 210992719 /nfs/dbraw/zinc/99/27/19/210992719.db2.gz XOFWIGXXNUGWEY-AWEZNQCLSA-N 1 0 383.895 2.586 50 0 GFAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccnc2)CC1 ZINC000058131588 210908435 /nfs/dbraw/zinc/90/84/35/210908435.db2.gz ZKOWLIRKPCQQET-YYWHXJBOSA-N 1 0 398.551 2.798 50 0 GFAARO Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cn3)n[nH]2)s1 ZINC000032937048 210604780 /nfs/dbraw/zinc/60/47/80/210604780.db2.gz KMWRPCHYWXYNGS-UHFFFAOYSA-N 1 0 382.493 2.846 50 0 GFAARO Cc1cc(C)n(-c2ccc(N3CCC([NH2+][C@@H](C)Cn4cncn4)CC3)cc2)n1 ZINC000023153586 210436366 /nfs/dbraw/zinc/43/63/66/210436366.db2.gz NTCTVPGBPYZAII-KRWDZBQOSA-N 1 0 379.512 2.728 50 0 GFAARO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795088 210393933 /nfs/dbraw/zinc/39/39/33/210393933.db2.gz TXYUGSQZOZYSQZ-UHFFFAOYSA-N 1 0 384.459 2.878 50 0 GFAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021175173 210379601 /nfs/dbraw/zinc/37/96/01/210379601.db2.gz OPPLHEHOVSATDC-UHFFFAOYSA-N 1 0 396.491 2.792 50 0 GFAARO O=c1[nH]c(-c2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)nc2c1CCC2 ZINC000020992469 210372368 /nfs/dbraw/zinc/37/23/68/210372368.db2.gz DHTMXBOTAYYTTK-UHFFFAOYSA-N 1 0 387.487 2.643 50 0 GFAARO CCOCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1 ZINC000020878261 210365325 /nfs/dbraw/zinc/36/53/25/210365325.db2.gz XTRZOTPNHRLVBG-QGZVFWFLSA-N 1 0 388.512 2.642 50 0 GFAARO O=C(NCc1ncc[nH]1)c1ccc([C@H]2CCC[N@@H+]2CCCn2cccn2)s1 ZINC000020866763 210365147 /nfs/dbraw/zinc/36/51/47/210365147.db2.gz BQMMBMHZOOYTPN-OAHLLOKOSA-N 1 0 384.509 2.825 50 0 GFAARO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)CC1 ZINC000020608816 210352216 /nfs/dbraw/zinc/35/22/16/210352216.db2.gz VWOCDBWYARCHEG-UHFFFAOYSA-N 1 0 393.553 2.770 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)CC1 ZINC000020599735 210351026 /nfs/dbraw/zinc/35/10/26/210351026.db2.gz UVSQEFISMDOTDA-IBGZPJMESA-N 1 0 395.975 2.787 50 0 GFAARO CCC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000020531210 210343014 /nfs/dbraw/zinc/34/30/14/210343014.db2.gz WQZVOFLTEXNQER-QFIPXVFZSA-N 1 0 391.515 2.808 50 0 GFAARO OCC[C@@H]1C[N@H+](Cc2cccc3nccnc23)CCN1Cc1ccc(F)c(F)c1 ZINC000020500117 210341888 /nfs/dbraw/zinc/34/18/88/210341888.db2.gz RGIHQPNXDXVYNX-GOSISDBHSA-N 1 0 398.457 2.977 50 0 GFAARO Cc1cc(Cl)c(OCCOCC[NH2+]CCN(C)C)c(Br)c1 ZINC000020418798 210334598 /nfs/dbraw/zinc/33/45/98/210334598.db2.gz ZEWSAWFOCQCNBJ-UHFFFAOYSA-N 1 0 379.726 2.958 50 0 GFAARO CN1C[C@H]([NH2+]Cc2ccc(-c3ccn(Cc4ccc(F)c(F)c4)n3)o2)CC1=O ZINC000019840726 210301239 /nfs/dbraw/zinc/30/12/39/210301239.db2.gz AUMUNYVUDGLORE-CQSZACIVSA-N 1 0 386.402 2.790 50 0 GFAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 ZINC000019894202 210307130 /nfs/dbraw/zinc/30/71/30/210307130.db2.gz YBSOAUNHQSBYCV-HXUWFJFHSA-N 1 0 397.519 2.788 50 0 GFAARO COc1cc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000019731151 210290887 /nfs/dbraw/zinc/29/08/87/210290887.db2.gz YKIVTSZVDXGOOG-IBGZPJMESA-N 1 0 390.524 2.873 50 0 GFAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C=C12 ZINC000061999456 136156236 /nfs/dbraw/zinc/15/62/36/136156236.db2.gz QMXFHCWSZYVELT-IDYNPRKMSA-N 1 0 396.535 2.913 50 0 GFAARO C[C@@H](CCNC(=O)[C@H]1CCc2nc(N3CCC(C)CC3)ncc2C1)[NH+]1CCCC1 ZINC000065289576 136162637 /nfs/dbraw/zinc/16/26/37/136162637.db2.gz MVXGCZAGYIIFAD-OALUTQOASA-N 1 0 399.583 2.808 50 0 GFAARO COCCN1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccc(C)cc4)CC3)C2)C1=O ZINC000095391644 136178819 /nfs/dbraw/zinc/17/88/19/136178819.db2.gz PHUCDBOFBKJLFK-QHCPKHFHSA-N 1 0 385.552 2.925 50 0 GFAARO CC[C@H](C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CC[NH+](CC)CC1 ZINC000096210537 136185361 /nfs/dbraw/zinc/18/53/61/136185361.db2.gz GEBYANQCFFHTHN-HNNXBMFYSA-N 1 0 385.487 2.953 50 0 GFAARO Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)n1 ZINC000170613642 136198983 /nfs/dbraw/zinc/19/89/83/136198983.db2.gz ZALXBUPLKWCELC-UFYCRDLUSA-N 1 0 385.556 2.691 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 ZINC000027594536 221657020 /nfs/dbraw/zinc/65/70/20/221657020.db2.gz LENBNVUKJOMHGX-AEFFLSMTSA-N 1 0 387.455 2.690 50 0 GFAARO CCNc1cc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)nc(C)[nH+]1 ZINC000067601813 222150092 /nfs/dbraw/zinc/15/00/92/222150092.db2.gz BSQKOPGYMMEVSP-UHFFFAOYSA-N 1 0 389.887 2.841 50 0 GFAARO O=C(c1cncc(Br)c1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000079669201 222306976 /nfs/dbraw/zinc/30/69/76/222306976.db2.gz SPHSLJVJQMDJJW-OAHLLOKOSA-N 1 0 384.343 2.888 50 0 GFAARO Nc1cccc(-c2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)n1 ZINC000426387907 534738464 /nfs/dbraw/zinc/73/84/64/534738464.db2.gz QHFFMFUOSUZHGP-KRWDZBQOSA-N 1 0 380.492 2.515 50 0 GFAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000241124127 524364737 /nfs/dbraw/zinc/36/47/37/524364737.db2.gz JFUWFOXPLAYQLI-SFNKJDCFSA-N 1 0 389.565 2.684 50 0 GFAARO CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426435089 528086885 /nfs/dbraw/zinc/08/68/85/528086885.db2.gz YIXWHADXHOYYPX-OAQYLSRUSA-N 1 0 393.478 2.648 50 0 GFAARO CCOc1ccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000070922238 535394279 /nfs/dbraw/zinc/39/42/79/535394279.db2.gz VTTXJZCIUMJCCQ-UHFFFAOYSA-N 1 0 393.484 2.814 50 0 GFAARO CCc1cnc(C)nc1N1CCC([NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000095501336 536019914 /nfs/dbraw/zinc/01/99/14/536019914.db2.gz CFMAWLUEOABBRN-UHFFFAOYSA-N 1 0 381.524 2.844 50 0 GFAARO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158151404 551547481 /nfs/dbraw/zinc/54/74/81/551547481.db2.gz JTBPDLMCRHTDDB-MRXNPFEDSA-N 1 0 391.313 2.874 50 0 GFAARO C[C@](O)(CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1Br ZINC000225623040 553059584 /nfs/dbraw/zinc/05/95/84/553059584.db2.gz YIUUSSPKVBATOI-WMZOPIPTSA-N 1 0 381.314 2.647 50 0 GFAARO COc1cc(Br)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000299739433 563390673 /nfs/dbraw/zinc/39/06/73/563390673.db2.gz OHLPVXQOQYASSV-BDAKNGLRSA-N 1 0 397.722 2.611 50 0 GFAARO O=C(COc1ccc(Cl)cc1Cl)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575605274 564700100 /nfs/dbraw/zinc/70/01/00/564700100.db2.gz CIAZNSWEVSLJGX-HNNXBMFYSA-N 1 0 387.307 2.989 50 0 GFAARO OC[C@]1([C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C2CC2)CCCO1 ZINC000529580547 564843272 /nfs/dbraw/zinc/84/32/72/564843272.db2.gz MMFGELVXFDKIKD-GJZGRUSLSA-N 1 0 375.694 2.907 50 0 GFAARO Cc1sc2ncn([C@@H]3CC[NH2+]C[C@H]3O)c(=O)c2c1-c1cccc(Cl)c1 ZINC000670440137 565724176 /nfs/dbraw/zinc/72/41/76/565724176.db2.gz IUUNCBYABTVODG-ZIAGYGMSSA-N 1 0 375.881 2.982 50 0 GFAARO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000047795009 570215468 /nfs/dbraw/zinc/21/54/68/570215468.db2.gz YFLHGAACXCFUOC-IBGZPJMESA-N 1 0 379.439 2.860 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000063615984 570234538 /nfs/dbraw/zinc/23/45/38/570234538.db2.gz IJGHFKINKZVCBF-LBPRGKRZSA-N 1 0 398.301 2.851 50 0 GFAARO O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2)[nH]1 ZINC000048445052 570251122 /nfs/dbraw/zinc/25/11/22/570251122.db2.gz DDAWRYHIRPPZGX-QGZVFWFLSA-N 1 0 376.460 2.703 50 0 GFAARO CCOc1ccccc1CN1CCN(C2CC[NH+](C(C)C)CC2)C[C@H]1CCO ZINC000104634305 570260566 /nfs/dbraw/zinc/26/05/66/570260566.db2.gz RBZDTXMMXVXLBT-JOCHJYFZSA-N 1 0 389.584 2.827 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1OCc1ccccc1F ZINC000215632961 570290413 /nfs/dbraw/zinc/29/04/13/570290413.db2.gz YKKWWDKIDWPDTM-NRFANRHFSA-N 1 0 375.440 2.733 50 0 GFAARO NC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012929389 570298847 /nfs/dbraw/zinc/29/88/47/570298847.db2.gz WHEZFCUFUBAVRC-UHFFFAOYSA-N 1 0 395.459 2.898 50 0 GFAARO C[C@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(F)cc(F)c3)cn2)CC1 ZINC000034682321 570300082 /nfs/dbraw/zinc/30/00/82/570300082.db2.gz FNEUSGCVDYSIDQ-AWEZNQCLSA-N 1 0 390.434 2.505 50 0 GFAARO CC(=O)c1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cs1 ZINC000022932816 570337536 /nfs/dbraw/zinc/33/75/36/570337536.db2.gz NCULOWVFXIKVLA-FQEVSTJZSA-N 1 0 393.597 2.692 50 0 GFAARO CNC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237221848 570339036 /nfs/dbraw/zinc/33/90/36/570339036.db2.gz IEZQXHZATSCFFZ-CALCHBBNSA-N 1 0 395.503 2.585 50 0 GFAARO CCN(CC)C(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)=O)c1 ZINC000003813069 570350985 /nfs/dbraw/zinc/35/09/85/570350985.db2.gz JOATXPAWOHTVSZ-MRXNPFEDSA-N 1 0 379.501 2.891 50 0 world GFAARO COc1ccc(-c2ncc(CN3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1 ZINC000219497677 570364454 /nfs/dbraw/zinc/36/44/54/570364454.db2.gz OBMNLSCLJHSGJJ-OAHLLOKOSA-N 1 0 379.464 2.808 50 0 GFAARO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(OC(F)(F)F)cc1 ZINC000004324502 570367818 /nfs/dbraw/zinc/36/78/18/570367818.db2.gz YQCDAXIANIPBDK-CYBMUJFWSA-N 1 0 385.338 2.843 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1cccs1)c1csc2ccccc21 ZINC000575619437 570367985 /nfs/dbraw/zinc/36/79/85/570367985.db2.gz FBUBCMWSGVPTHQ-INIZCTEOSA-N 1 0 387.530 2.998 50 0 GFAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938795 570375305 /nfs/dbraw/zinc/37/53/05/570375305.db2.gz QOSIFLWPBHDLAP-UHFFFAOYSA-N 1 0 382.508 2.882 50 0 aggregator GFAARO O=C1CCC(=O)N1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024757667 570391909 /nfs/dbraw/zinc/39/19/09/570391909.db2.gz DHIGNGBXOGQXQZ-UHFFFAOYSA-N 1 0 377.488 2.543 50 0 GFAARO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCC[NH+](CC(C)C)CC(C)C)O2 ZINC000005069949 570411004 /nfs/dbraw/zinc/41/10/04/570411004.db2.gz XFUJPTNMXFFMTA-LJQANCHMSA-N 1 0 375.513 2.815 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000025332036 570411256 /nfs/dbraw/zinc/41/12/56/570411256.db2.gz GXERFDZJDDMCOE-GDBMZVCRSA-N 1 0 375.494 2.612 50 0 GFAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=N ZINC000004859506 570413412 /nfs/dbraw/zinc/41/34/12/570413412.db2.gz GYKBQIPGEJYPNV-SFHVURJKSA-N 1 0 382.508 2.704 50 0 GFAARO CC(=O)c1c(C)nn(CCC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000222540103 570413924 /nfs/dbraw/zinc/41/39/24/570413924.db2.gz JVOCSFWVWIINOS-FQEVSTJZSA-N 1 0 382.508 2.608 50 0 GFAARO Oc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000025721203 570418582 /nfs/dbraw/zinc/41/85/82/570418582.db2.gz NAOFEPNTXGKARV-WMZHIEFXSA-N 1 0 382.504 2.969 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 ZINC000027594540 570437596 /nfs/dbraw/zinc/43/75/96/570437596.db2.gz LENBNVUKJOMHGX-SJLPKXTDSA-N 1 0 387.455 2.690 50 0 GFAARO C[C@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741683 570441147 /nfs/dbraw/zinc/44/11/47/570441147.db2.gz WDCISGBUKXYGOF-KRWDZBQOSA-N 1 0 377.504 2.660 50 0 GFAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000006552716 570475267 /nfs/dbraw/zinc/47/52/67/570475267.db2.gz OKSZIQDWMWMQOR-HUUCEWRRSA-N 1 0 378.542 2.784 50 0 GFAARO O=C(Nc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1)c1cccnc1 ZINC000252487628 570475599 /nfs/dbraw/zinc/47/55/99/570475599.db2.gz HYKNBHUIOWLRFZ-UHFFFAOYSA-N 1 0 378.476 2.940 50 0 GFAARO CCC[C@H](C)[N@H+](C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC ZINC000030269681 570487689 /nfs/dbraw/zinc/48/76/89/570487689.db2.gz ZDDNHNGFGQBEBW-LBPRGKRZSA-N 1 0 397.541 2.994 50 0 GFAARO Cc1ccc2c(=O)cc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)oc2c1C ZINC000032593799 570511621 /nfs/dbraw/zinc/51/16/21/570511621.db2.gz XQJBKTZDELEFRD-UHFFFAOYSA-N 1 0 398.503 2.984 50 0 GFAARO COc1cc(COC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000002686946 570535732 /nfs/dbraw/zinc/53/57/32/570535732.db2.gz HBVSYOPPYRXUFP-IBGZPJMESA-N 1 0 387.476 2.648 50 0 GFAARO COCC(=O)N(CC[NH+](C)C)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036114313 570543094 /nfs/dbraw/zinc/54/30/94/570543094.db2.gz GGZRHHSFIGBPAV-UHFFFAOYSA-N 1 0 391.537 2.876 50 0 GFAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794648 570548548 /nfs/dbraw/zinc/54/85/48/570548548.db2.gz TUNBJGQOLUCQRT-OAQYLSRUSA-N 1 0 385.483 2.943 50 0 GFAARO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000035421872 570552812 /nfs/dbraw/zinc/55/28/12/570552812.db2.gz ZMTLFQQDUIQGQH-UHFFFAOYSA-N 1 0 383.467 2.598 50 0 GFAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)n1 ZINC000009620355 570560261 /nfs/dbraw/zinc/56/02/61/570560261.db2.gz DZULYPFBVHXYSR-UHFFFAOYSA-N 1 0 389.887 2.841 50 0 GFAARO COc1ccc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCOCC3)nc3ccccn32)cc1 ZINC000011663394 570577819 /nfs/dbraw/zinc/57/78/19/570577819.db2.gz MPYYYYHEUKEAMD-MRXNPFEDSA-N 1 0 394.475 2.666 50 0 GFAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H](O)C1 ZINC000011667824 570579284 /nfs/dbraw/zinc/57/92/84/570579284.db2.gz WVWVONMNJQYZMW-LJQANCHMSA-N 1 0 395.503 2.722 50 0 GFAARO Cc1nn([C@@H](C)C(=O)NCC[NH+]2CCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799188 570599152 /nfs/dbraw/zinc/59/91/52/570599152.db2.gz URTXYBPOGMFDTD-AWEZNQCLSA-N 1 0 384.505 2.693 50 0 GFAARO COCc1nn2c(ncc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccccc1 ZINC000040396384 570600584 /nfs/dbraw/zinc/60/05/84/570600584.db2.gz ZUMSDGMYNUADLG-UHFFFAOYSA-N 1 0 391.475 2.809 50 0 GFAARO CC(C)C(=O)NCCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000012212232 570627271 /nfs/dbraw/zinc/62/72/71/570627271.db2.gz AKRJWGYXHXEKCI-UHFFFAOYSA-N 1 0 391.519 2.804 50 0 GFAARO C[NH+](C)CCNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1 ZINC000065005829 570645493 /nfs/dbraw/zinc/64/54/93/570645493.db2.gz XMGXCPGITZZXBM-UHFFFAOYSA-N 1 0 398.507 2.625 50 0 GFAARO CC[NH+]1CCN(CCCNC(=O)c2nc(-c3oc4ccccc4c3C)no2)CC1 ZINC000065009912 570646409 /nfs/dbraw/zinc/64/64/09/570646409.db2.gz OVWPRILFTRMHGK-UHFFFAOYSA-N 1 0 397.479 2.549 50 0 GFAARO COc1ccc(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(OC(C)C)c1 ZINC000242147499 570688619 /nfs/dbraw/zinc/68/86/19/570688619.db2.gz WSHMLZVZDHWDNO-IBGZPJMESA-N 1 0 398.503 2.631 50 0 GFAARO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCC2)C1 ZINC000058166174 570713777 /nfs/dbraw/zinc/71/37/77/570713777.db2.gz KKDLEAUSLUPKIY-DLBZAZTESA-N 1 0 394.560 2.552 50 0 GFAARO OCCOCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000247755246 570716048 /nfs/dbraw/zinc/71/60/48/570716048.db2.gz YVGUWXGJYDABNC-UHFFFAOYSA-N 1 0 386.883 2.745 50 0 GFAARO COCCn1c(CNC2(c3ccc(Cl)cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539885 570729704 /nfs/dbraw/zinc/72/97/04/570729704.db2.gz OPZWIXFRGNJHIB-SAZUREKKSA-N 1 0 375.904 2.562 50 0 GFAARO Cn1c(C(=O)NCC[NH+]2CCCCC2)cc2c1CCN(Cc1cccc(F)c1)C2 ZINC000065211136 570730446 /nfs/dbraw/zinc/73/04/46/570730446.db2.gz MOZJDRLXIHQYAM-UHFFFAOYSA-N 1 0 398.526 2.938 50 0 GFAARO CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000006992899 570730904 /nfs/dbraw/zinc/73/09/04/570730904.db2.gz ZLNJHXXHZZAWQS-HXUWFJFHSA-N 1 0 379.504 2.980 50 0 GFAARO CCN(C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000052680135 570758987 /nfs/dbraw/zinc/75/89/87/570758987.db2.gz HSMYJVYEHUZQHE-UHFFFAOYSA-N 1 0 383.467 2.743 50 0 GFAARO CC(C)c1nsc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000065383587 570763471 /nfs/dbraw/zinc/76/34/71/570763471.db2.gz WUJCIUCPLDOGBA-OAHLLOKOSA-N 1 0 387.509 2.611 50 0 GFAARO COc1ccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c(Cl)c1O ZINC000065425793 570767854 /nfs/dbraw/zinc/76/78/54/570767854.db2.gz KDMJCDMPHOFINT-NNNWTRQLSA-N 1 0 388.895 2.764 50 0 GFAARO c1sc(-c2cnccn2)nc1CNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065507904 570771136 /nfs/dbraw/zinc/77/11/36/570771136.db2.gz SEVIIAQYBWZSAL-UHFFFAOYSA-N 1 0 381.490 2.863 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)[NH+](C)C)cc1 ZINC000032733365 570787954 /nfs/dbraw/zinc/78/79/54/570787954.db2.gz ITHUSWYOIXEERF-HXUWFJFHSA-N 1 0 394.523 2.655 50 0 GFAARO COc1ccc(C)cc1NC(=O)NCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC000036708093 570793563 /nfs/dbraw/zinc/79/35/63/570793563.db2.gz YONABGXOHPBPQG-UHFFFAOYSA-N 1 0 384.484 2.936 50 0 GFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000583647588 570804162 /nfs/dbraw/zinc/80/41/62/570804162.db2.gz NDOVSJSFJUILLN-IEBWSBKVSA-N 1 0 393.528 2.745 50 0 GFAARO COc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000012999563 570817166 /nfs/dbraw/zinc/81/71/66/570817166.db2.gz WJTBWOLAVGKEFD-UHFFFAOYSA-N 1 0 390.505 2.647 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065516013 570828703 /nfs/dbraw/zinc/82/87/03/570828703.db2.gz ZZUVFHRDCSSFKF-GJZGRUSLSA-N 1 0 381.467 2.802 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21)c1ccccc1 ZINC000037193352 570847074 /nfs/dbraw/zinc/84/70/74/570847074.db2.gz AUSLVXGGDMBGEW-VQTJNVASSA-N 1 0 378.476 2.640 50 0 GFAARO Cc1ccc2[nH]c(CCNC(=O)N3CCC([NH+]4CCSCC4)CC3)nc2c1 ZINC000534590751 570906167 /nfs/dbraw/zinc/90/61/67/570906167.db2.gz BEFSMWUSCGOBLE-UHFFFAOYSA-N 1 0 387.553 2.637 50 0 GFAARO O=C(Nc1ccc(F)cc1F)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000107147287 570971274 /nfs/dbraw/zinc/97/12/74/570971274.db2.gz CNQXGNJBYGZNMX-BEFAXECRSA-N 1 0 375.419 2.969 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000045184887 570988654 /nfs/dbraw/zinc/98/86/54/570988654.db2.gz PZXUOCGGJDRYJP-FQEVSTJZSA-N 1 0 396.539 2.787 50 0 GFAARO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045918407 571000299 /nfs/dbraw/zinc/00/02/99/571000299.db2.gz LKSMHIOGDYOBBL-HNNXBMFYSA-N 1 0 385.895 2.633 50 0 GFAARO OCC[C@H]1C[N@@H+](C2CSCCSC2)CCN1Cc1ccc(F)c(F)c1 ZINC000023479028 654538534 /nfs/dbraw/zinc/53/85/34/654538534.db2.gz JAMNZPRJHHIYTB-HNNXBMFYSA-N 1 0 388.549 2.682 50 0 GFAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(Br)cnc1Cl ZINC000042748725 654643792 /nfs/dbraw/zinc/64/37/92/654643792.db2.gz PHYRYUWBTXCUMY-VIFPVBQESA-N 1 0 384.727 2.506 50 0 GFAARO Cc1nn(-c2ccccc2)c(N)c1-c1cccc(C(=O)N2CCC[NH2+]CC2)c1 ZINC000426369952 231208561 /nfs/dbraw/zinc/20/85/61/231208561.db2.gz OKCALKHAGCVYIC-UHFFFAOYSA-N 1 0 375.476 2.865 50 0 GFAARO Cn1c(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000426475568 231224614 /nfs/dbraw/zinc/22/46/14/231224614.db2.gz RZWQVZPXSRUCEK-GFCCVEGCSA-N 1 0 383.418 2.685 50 0 GFAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000019338808 210241461 /nfs/dbraw/zinc/24/14/61/210241461.db2.gz BCSJPAUYHRXFGF-UHFFFAOYSA-N 1 0 389.521 2.871 50 0 GFAARO COc1cn(CC(=O)Nc2cccc(F)c2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246026 210207366 /nfs/dbraw/zinc/20/73/66/210207366.db2.gz LYYDQJJXZRRUKM-UHFFFAOYSA-N 1 0 387.455 2.867 50 0 GFAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022115 210183984 /nfs/dbraw/zinc/18/39/84/210183984.db2.gz HLHRORSILUDCPX-LKWXMQFFSA-N 1 0 389.883 2.515 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016021959 210183276 /nfs/dbraw/zinc/18/32/76/210183276.db2.gz HLJFSDOUDBCMRB-WIHXCHPFSA-N 1 0 389.883 2.515 50 0 GFAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677530 210161714 /nfs/dbraw/zinc/16/17/14/210161714.db2.gz ONUICXBHTZCGCH-UHFFFAOYSA-N 1 0 384.524 2.975 50 0 GFAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000015276208 210154751 /nfs/dbraw/zinc/15/47/51/210154751.db2.gz HNSNKMPSOKDMRK-LNZSQMCZSA-N 1 0 397.434 2.785 50 0 GFAARO Cn1c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc2ccccc21 ZINC000015077791 210151279 /nfs/dbraw/zinc/15/12/79/210151279.db2.gz LGPXABUTNNOYMZ-QGZVFWFLSA-N 1 0 395.551 2.528 50 0 GFAARO CC[C@H]1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CC[N@@H+]1C ZINC000015077406 210151081 /nfs/dbraw/zinc/15/10/81/210151081.db2.gz JTPNDLLOAGEEGG-IBGZPJMESA-N 1 0 398.555 2.752 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)nc2)cc1 ZINC000015076008 210150293 /nfs/dbraw/zinc/15/02/93/210150293.db2.gz QWNXOPQKAVMGHF-UHFFFAOYSA-N 1 0 396.535 2.983 50 0 GFAARO CCN(CC[NH+](C)C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C ZINC000014972399 210136006 /nfs/dbraw/zinc/13/60/06/210136006.db2.gz OXBVIBXMALJBPI-CQSZACIVSA-N 1 0 391.541 2.614 50 0 GFAARO C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(CCOC)C(=O)N2Cc1ccccc1 ZINC000014534013 210119878 /nfs/dbraw/zinc/11/98/78/210119878.db2.gz AHPGHEYYRIOIJK-JJPRUIFNSA-N 1 0 385.508 2.898 50 0 GFAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013845281 210094747 /nfs/dbraw/zinc/09/47/47/210094747.db2.gz IBILLJXSWPAQQX-KRWDZBQOSA-N 1 0 381.436 2.732 50 0 GFAARO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717708 210083051 /nfs/dbraw/zinc/08/30/51/210083051.db2.gz LIEVJNDXXWYWCW-UHFFFAOYSA-N 1 0 383.452 2.714 50 0 GFAARO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000008708770 209793996 /nfs/dbraw/zinc/79/39/96/209793996.db2.gz UNBKPIDPWQJVMU-UHFFFAOYSA-N 1 0 387.933 2.795 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006840893 209696245 /nfs/dbraw/zinc/69/62/45/209696245.db2.gz SOFOYOSYWUYFOL-UHFFFAOYSA-N 1 0 376.526 2.564 50 0 GFAARO Cc1ccc(NC(=S)NCCC[NH+](C)C)cc1I ZINC000006583938 209657456 /nfs/dbraw/zinc/65/74/56/209657456.db2.gz GYNMYMDRASOPBZ-UHFFFAOYSA-N 1 0 377.295 2.838 50 0 GFAARO COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000002219188 209351584 /nfs/dbraw/zinc/35/15/84/209351584.db2.gz FTBIYXJBYZDNNW-LTGZKZEYSA-N 1 0 395.503 2.842 50 0 GFAARO Cc1cccc(Cn2nc(C[NH2+]CCN3CCOCC3)c(-c3ccccc3)n2)c1 ZINC000261492556 212029139 /nfs/dbraw/zinc/02/91/39/212029139.db2.gz ZAHSNXWWVWNPPO-UHFFFAOYSA-N 1 0 391.519 2.724 50 0 GFAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(O)CCC(C(C)(C)C)CC1 ZINC000111388666 209167008 /nfs/dbraw/zinc/16/70/08/209167008.db2.gz IPHLEQZKPAVAJI-UHFFFAOYSA-N 1 0 378.561 2.622 50 0 GFAARO O=C(COc1ncnc2ccccc21)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000221397245 211790678 /nfs/dbraw/zinc/79/06/78/211790678.db2.gz SKVVYSMIBCTOSM-UHFFFAOYSA-N 1 0 376.460 2.921 50 0 GFAARO CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000096398498 211340960 /nfs/dbraw/zinc/34/09/60/211340960.db2.gz AZQIQQWIHWUNLT-MRXNPFEDSA-N 1 0 391.581 2.888 50 0 GFAARO O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)NCC[NH+]1CCCCC1 ZINC000096386894 211338847 /nfs/dbraw/zinc/33/88/47/211338847.db2.gz PPERTKCFJXMDJS-LJQANCHMSA-N 1 0 378.476 2.775 50 0 GFAARO COc1ccccc1-n1nc(CC2CC[NH+](C)CC2)nc1-c1cnc(C)nc1 ZINC000096141100 211307824 /nfs/dbraw/zinc/30/78/24/211307824.db2.gz APQONLIISCPKBB-UHFFFAOYSA-N 1 0 378.480 2.926 50 0 GFAARO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 ZINC000095959636 211287303 /nfs/dbraw/zinc/28/73/03/211287303.db2.gz RYHUPHFWRMESRV-MRXNPFEDSA-N 1 0 387.505 2.511 50 0 GFAARO O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000095530882 211275060 /nfs/dbraw/zinc/27/50/60/211275060.db2.gz ROLYVRAPGIHVKI-KRWDZBQOSA-N 1 0 381.451 2.501 50 0 GFAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1nc[nH]n1 ZINC000095524462 211270954 /nfs/dbraw/zinc/27/09/54/211270954.db2.gz LQTXHVMXZPGEPH-UHFFFAOYSA-N 1 0 395.429 2.850 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)Cc3nc4ncccn4n3)CC2)cc1 ZINC000095523783 211269583 /nfs/dbraw/zinc/26/95/83/211269583.db2.gz DKTPZLKCPDVHQP-UHFFFAOYSA-N 1 0 394.523 2.519 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](OC)c1ccccc1)CC2 ZINC000095521541 211266372 /nfs/dbraw/zinc/26/63/72/211266372.db2.gz OCYRHARKHATIOM-LJQANCHMSA-N 1 0 382.508 2.883 50 0 GFAARO CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)o1 ZINC000095503083 211255853 /nfs/dbraw/zinc/25/58/53/211255853.db2.gz MIAXXYUITRPXRN-QGZVFWFLSA-N 1 0 387.528 2.509 50 0 GFAARO Cc1ccc(C(=O)CCC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000095455886 211243271 /nfs/dbraw/zinc/24/32/71/211243271.db2.gz GVICDRVFHITXOM-OAHLLOKOSA-N 1 0 377.554 2.646 50 0 GFAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)c1cccn1C1CC1)CC2 ZINC000095375017 211229732 /nfs/dbraw/zinc/22/97/32/211229732.db2.gz RMJLKVQAXGIKBE-UHFFFAOYSA-N 1 0 386.540 2.620 50 0 GFAARO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(OCCO)cc3)C2)N1Cc1ccccc1 ZINC000095362985 211224764 /nfs/dbraw/zinc/22/47/64/211224764.db2.gz IMRUWVUCGRIUCE-LEWJYISDSA-N 1 0 380.488 2.681 50 0 GFAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000095359558 211224473 /nfs/dbraw/zinc/22/44/73/211224473.db2.gz QWRIAKFGGOQJGU-HNNXBMFYSA-N 1 0 394.441 2.811 50 0 GFAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ccc1F ZINC000091872993 211210767 /nfs/dbraw/zinc/21/07/67/211210767.db2.gz WABJKUHLNPVBND-UHFFFAOYSA-N 1 0 375.488 2.541 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)Nc3cc(F)ccc3C)CC[N@@H+]2C)CCC1=O ZINC000091896764 211210163 /nfs/dbraw/zinc/21/01/63/211210163.db2.gz MSAQWGCLEQJLQT-FQEVSTJZSA-N 1 0 376.476 2.685 50 0 GFAARO CC1=C(c2ccccc2)[C@H]1C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000095352520 211221493 /nfs/dbraw/zinc/22/14/93/211221493.db2.gz NAXGZBPSZILLIR-QFIPXVFZSA-N 1 0 395.547 2.883 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)c3cccnc3OC)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095355227 211221158 /nfs/dbraw/zinc/22/11/58/211221158.db2.gz HNXVGNKBHHGHNK-PWRODBHTSA-N 1 0 393.487 2.801 50 0 GFAARO CC1(C)C[N@H+](Cc2ccccc2OCCCN2CCOCC2)CC[C@]1(C)O ZINC000091645144 211201040 /nfs/dbraw/zinc/20/10/40/211201040.db2.gz TWXOIVBEQCGMLH-QFIPXVFZSA-N 1 0 376.541 2.771 50 0 GFAARO O=C(Cc1ccc2ccccc2c1)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091830187 211208397 /nfs/dbraw/zinc/20/83/97/211208397.db2.gz MHFJUFVYVVBZTL-PKTZIBPZSA-N 1 0 396.531 2.704 50 0 GFAARO COc1cccc2ccc(C[NH+]3CCC4(CC3)c3[nH]cnc3CCN4C)nc21 ZINC000091780893 211205696 /nfs/dbraw/zinc/20/56/96/211205696.db2.gz XOPWGMOYEHWZRV-UHFFFAOYSA-N 1 0 377.492 2.946 50 0 GFAARO Cc1[nH+]c(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2ccccn12 ZINC000089708973 211183533 /nfs/dbraw/zinc/18/35/33/211183533.db2.gz CSSMYHOVHZRUDS-QGZVFWFLSA-N 1 0 394.450 2.950 50 0 GFAARO O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091435060 211193245 /nfs/dbraw/zinc/19/32/45/211193245.db2.gz GIBHAHDXSYPKFP-IAGOWNOFSA-N 1 0 384.442 2.801 50 0 GFAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000091425820 211192956 /nfs/dbraw/zinc/19/29/56/211192956.db2.gz NXJXUOQBSMEPQN-UHFFFAOYSA-N 1 0 380.471 2.918 50 0 GFAARO CC(C)Oc1ccc2c(NC(=O)[C@@H]([NH3+])[C@@H](C)O)nn(Cc3ccccc3)c2c1 ZINC000077426553 211132315 /nfs/dbraw/zinc/13/23/15/211132315.db2.gz LGGXKGKNQCRBJK-KUHUBIRLSA-N 1 0 382.464 2.518 50 0 GFAARO CCN1CC2(CC[NH+](Cc3cnc(-c4ccc(OC)cc4)nc3)CC2)OC1=O ZINC000072420492 211116572 /nfs/dbraw/zinc/11/65/72/211116572.db2.gz CVRIORAVXOOHMY-UHFFFAOYSA-N 1 0 382.464 2.959 50 0 GFAARO CCn1cncc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161888 211077363 /nfs/dbraw/zinc/07/73/63/211077363.db2.gz OQCLMSYISSSAHX-VLCRHTCISA-N 1 0 380.492 2.694 50 0 GFAARO CCCN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072133477 211074389 /nfs/dbraw/zinc/07/43/89/211074389.db2.gz PRRBZISASFBUDM-JOCHJYFZSA-N 1 0 393.531 2.877 50 0 GFAARO Cn1cc(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)cn1 ZINC000072139097 211074149 /nfs/dbraw/zinc/07/41/49/211074149.db2.gz NKYIOJVOMITBMG-UHFFFAOYSA-N 1 0 388.515 2.748 50 0 GFAARO COc1c(C)cnc(Cn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1C ZINC000072121085 211071916 /nfs/dbraw/zinc/07/19/16/211071916.db2.gz LPVJMHICHFSHRJ-QGZVFWFLSA-N 1 0 393.491 2.570 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000071764164 211060581 /nfs/dbraw/zinc/06/05/81/211060581.db2.gz RHXYMXMWNYHZML-MRXNPFEDSA-N 1 0 377.479 2.920 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCOc3ccccc3)CC2)C1)N1CCCC1 ZINC000071760419 211057663 /nfs/dbraw/zinc/05/76/63/211057663.db2.gz SSRBBINJZMQWJI-FQEVSTJZSA-N 1 0 385.552 2.864 50 0 GFAARO O=C(CCC1CC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747932 211053560 /nfs/dbraw/zinc/05/35/60/211053560.db2.gz VYRLWXFCEYYZFE-FQEVSTJZSA-N 1 0 398.551 2.591 50 0 GFAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405646 211047232 /nfs/dbraw/zinc/04/72/32/211047232.db2.gz FSBDTPFOIBVYJX-LJQANCHMSA-N 1 0 385.556 2.732 50 0 GFAARO Cc1nccn1CC[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067974249 211030972 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2.769 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N[C@@H]3CCC[N@H+](C)C3)nc2)cc1 ZINC000067727318 211018842 /nfs/dbraw/zinc/01/88/42/211018842.db2.gz XWPBJZZUQLRFOK-LJQANCHMSA-N 1 0 382.508 2.959 50 0 GFAARO CC(C)C(=O)N1CCC([N@@H+]2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2)CC1 ZINC000067696629 211017931 /nfs/dbraw/zinc/01/79/31/211017931.db2.gz TYXBRERPPPUPIP-QFIPXVFZSA-N 1 0 387.524 2.855 50 0 GFAARO CCNc1cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc(C)[nH+]1 ZINC000067621262 211012654 /nfs/dbraw/zinc/01/26/54/211012654.db2.gz AEUPFBCUTARLGL-UHFFFAOYSA-N 1 0 378.480 2.589 50 0 GFAARO Cc1ncccc1OC1(C(=O)NCCc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC000067642129 211012673 /nfs/dbraw/zinc/01/26/73/211012673.db2.gz MIRFDAPVCOEGNS-UHFFFAOYSA-N 1 0 378.476 2.731 50 0 GFAARO CCOc1ccccc1NC(=O)CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000065453178 210994340 /nfs/dbraw/zinc/99/43/40/210994340.db2.gz CSJRYXXXJCUMGU-HNNXBMFYSA-N 1 0 375.494 2.895 50 0 GFAARO Cc1ccc(Cl)cc1C(=O)N1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048351436 210854586 /nfs/dbraw/zinc/85/45/86/210854586.db2.gz AJKFMHWJAKFLLM-AWEZNQCLSA-N 1 0 375.904 2.986 50 0 GFAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000048312727 210852966 /nfs/dbraw/zinc/85/29/66/210852966.db2.gz UIAFYLGKGUKZJN-INIZCTEOSA-N 1 0 397.441 2.607 50 0 GFAARO O=C(Nc1cccc(C(=O)NCCC[NH+]2CCCC2)c1)c1nnc(C2CC2)s1 ZINC000033023046 210617590 /nfs/dbraw/zinc/61/75/90/210617590.db2.gz KEXXLYVSULALKW-UHFFFAOYSA-N 1 0 399.520 2.884 50 0 GFAARO COc1ccc(OC)c(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000020946209 210371482 /nfs/dbraw/zinc/37/14/82/210371482.db2.gz LMZUUVXGJGSLQD-UHFFFAOYSA-N 1 0 396.553 2.981 50 0 GFAARO Cc1oc(-c2cccc3ccccc32)nc1CN1CC[NH+](CCC(N)=O)CC1 ZINC000020908770 210369274 /nfs/dbraw/zinc/36/92/74/210369274.db2.gz YSDCQUGMFXNAKL-UHFFFAOYSA-N 1 0 378.476 2.796 50 0 GFAARO CC(C)[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000020467808 210340373 /nfs/dbraw/zinc/34/03/73/210340373.db2.gz RIVALWKHNHNOHI-UHFFFAOYSA-N 1 0 376.457 2.819 50 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O=C(c1cncc(Br)c1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000079669193 222307080 /nfs/dbraw/zinc/30/70/80/222307080.db2.gz SPHSLJVJQMDJJW-HNNXBMFYSA-N 1 0 384.343 2.888 50 0 GFAARO Cc1ccc(CN(CCO)C(=O)NC2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000426582754 533890018 /nfs/dbraw/zinc/89/00/18/533890018.db2.gz FLSSIJJOLBTSFU-UHFFFAOYSA-N 1 0 388.537 2.620 50 0 GFAARO CCCC[N@H+](CC)CCCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006998033 520476622 /nfs/dbraw/zinc/47/66/22/520476622.db2.gz COMPTQZCMMKWHO-UHFFFAOYSA-N 1 0 397.523 2.815 50 0 GFAARO CC[C@@H]1CN(C(=O)CN2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000251859388 523384945 /nfs/dbraw/zinc/38/49/45/523384945.db2.gz SPLJZHGLYWNQBJ-VSKRKVRLSA-N 1 0 385.552 2.753 50 0 GFAARO CCOc1ccccc1CCNC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000426429092 528718673 /nfs/dbraw/zinc/71/86/73/528718673.db2.gz RRJUPXAPHRWFEA-UHFFFAOYSA-N 1 0 377.554 2.851 50 0 GFAARO CCc1cc(N2CCC(CCC(=O)NC[C@@H]3CCC[N@H+]3CC)CC2)nc(C)n1 ZINC000095499592 536143961 /nfs/dbraw/zinc/14/39/61/536143961.db2.gz BRBLKRXYAWSYEC-FQEVSTJZSA-N 1 0 387.572 2.945 50 0 GFAARO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000154108074 551468013 /nfs/dbraw/zinc/46/80/13/551468013.db2.gz OWVHGOAAYZVWDP-SASJJMKUSA-N 1 0 387.343 2.546 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2Br)on1 ZINC000155010907 551488616 /nfs/dbraw/zinc/48/86/16/551488616.db2.gz UBGXHUVYTAKIKO-GFCCVEGCSA-N 1 0 394.269 2.758 50 0 GFAARO CCc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000158212592 551548541 /nfs/dbraw/zinc/54/85/41/551548541.db2.gz OIXGJUWDKWULNH-CYBMUJFWSA-N 1 0 377.286 2.761 50 0 GFAARO O=C(COc1ccc(Cl)cc1Cl)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575605275 564700299 /nfs/dbraw/zinc/70/02/99/564700299.db2.gz CIAZNSWEVSLJGX-OAHLLOKOSA-N 1 0 387.307 2.989 50 0 GFAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000048311948 570233477 /nfs/dbraw/zinc/23/34/77/570233477.db2.gz LDYNOQGAHYTUGE-KRWDZBQOSA-N 1 0 395.503 2.713 50 0 GFAARO CCOc1ccccc1CN1CCN(Cc2ccc3nonc3c2)C[C@H]1CCO ZINC000104456776 570258355 /nfs/dbraw/zinc/25/83/55/570258355.db2.gz IAPFIJRCZJPIPO-LJQANCHMSA-N 1 0 396.491 2.690 50 0 GFAARO CCCN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000236741200 570258986 /nfs/dbraw/zinc/25/89/86/570258986.db2.gz QXFYXUPEBFPCLM-IAGOWNOFSA-N 1 0 377.533 2.567 50 0 GFAARO Cc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)cc1 ZINC000104533569 570260220 /nfs/dbraw/zinc/26/02/20/570260220.db2.gz CKRCUWVJZAFVHC-HXUWFJFHSA-N 1 0 378.520 2.951 50 0 GFAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104631141 570260728 /nfs/dbraw/zinc/26/07/28/570260728.db2.gz NPUQZVKCLXRXJJ-HXUWFJFHSA-N 1 0 384.524 2.716 50 0 GFAARO Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000006802863 570285345 /nfs/dbraw/zinc/28/53/45/570285345.db2.gz ZCTAMXWLMLWDPE-UHFFFAOYSA-N 1 0 390.553 2.518 50 0 GFAARO Cc1ccc(N2CCN(Cc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)cc1C ZINC000034668126 570292591 /nfs/dbraw/zinc/29/25/91/570292591.db2.gz CJYSKKNABLOSLK-UHFFFAOYSA-N 1 0 394.563 2.917 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1cccc(F)c1 ZINC000022754669 570326185 /nfs/dbraw/zinc/32/61/85/570326185.db2.gz KJRVWWSSPIJYJQ-SFHVURJKSA-N 1 0 385.439 2.933 50 0 GFAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1CCc1ccccc1 ZINC000022913003 570334106 /nfs/dbraw/zinc/33/41/06/570334106.db2.gz UUHOGEVTXLMLMK-XMMPIXPASA-N 1 0 390.531 2.984 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375547 570345686 /nfs/dbraw/zinc/34/56/86/570345686.db2.gz YYRKTOXXDWIDNM-INARBTAWSA-N 1 0 389.883 2.515 50 0 GFAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(Cc1cccc(-c3ccco3)c1)C2 ZINC000219182633 570349006 /nfs/dbraw/zinc/34/90/06/570349006.db2.gz QTYOEDVVZVVIAV-QFIPXVFZSA-N 1 0 389.459 2.974 50 0 GFAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000023248814 570352149 /nfs/dbraw/zinc/35/21/49/570352149.db2.gz MBOVPJAPZSPUQV-UGKGYDQZSA-N 1 0 393.531 2.936 50 0 GFAARO Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000004936014 570373974 /nfs/dbraw/zinc/37/39/74/570373974.db2.gz SVXBHYDIZIPWTF-UHFFFAOYSA-N 1 0 378.480 2.908 50 0 GFAARO Cc1sc2ncnc(NCCC[NH+]3CCN(c4ncccn4)CC3)c2c1C ZINC000023888279 570374876 /nfs/dbraw/zinc/37/48/76/570374876.db2.gz RKSKFLHNJLVFRZ-UHFFFAOYSA-N 1 0 383.525 2.722 50 0 GFAARO O=S(=O)(NCCc1[nH+]cc2ccccn21)c1ccc(Br)cc1 ZINC000031773156 570386487 /nfs/dbraw/zinc/38/64/87/570386487.db2.gz HNLQOJKIXQSQMS-UHFFFAOYSA-N 1 0 380.267 2.618 50 0 GFAARO C[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1 ZINC000024767380 570392519 /nfs/dbraw/zinc/39/25/19/570392519.db2.gz WGJPVIIJIAJIHN-HNNXBMFYSA-N 1 0 394.475 2.776 50 0 GFAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@@H](C)O1 ZINC000024924270 570398563 /nfs/dbraw/zinc/39/85/63/570398563.db2.gz FUSHYTUXGOFIJZ-HZPDHXFCSA-N 1 0 385.464 2.761 50 0 GFAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc12 ZINC000025194716 570407861 /nfs/dbraw/zinc/40/78/61/570407861.db2.gz UVUCNMDDMARGTG-IBGZPJMESA-N 1 0 394.471 2.663 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cn2)CC1 ZINC000026362394 570424959 /nfs/dbraw/zinc/42/49/59/570424959.db2.gz ITQFSZPCAOBPNQ-FQEVSTJZSA-N 1 0 396.491 2.644 50 0 GFAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000063735239 570472235 /nfs/dbraw/zinc/47/22/35/570472235.db2.gz PKDVCBCLKZPFEJ-UHFFFAOYSA-N 1 0 390.487 2.860 50 0 GFAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)CCc2nc3c(cccc3C)[nH]2)n1 ZINC000223863116 570487492 /nfs/dbraw/zinc/48/74/92/570487492.db2.gz VBFDUKRGQABRJZ-UHFFFAOYSA-N 1 0 380.496 2.691 50 0 GFAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)CC1 ZINC000032959989 570519438 /nfs/dbraw/zinc/51/94/38/570519438.db2.gz KXKCKHWESDSXLL-QGZVFWFLSA-N 1 0 385.512 2.610 50 0 GFAARO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000032974667 570562604 /nfs/dbraw/zinc/56/26/04/570562604.db2.gz YIGPDKRZBVQUKL-KRWDZBQOSA-N 1 0 384.524 2.702 50 0 GFAARO CCc1noc2ncc(S(=O)(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000225425651 570572840 /nfs/dbraw/zinc/57/28/40/570572840.db2.gz KDEPJORLDJSXPX-KRWDZBQOSA-N 1 0 388.493 2.887 50 0 GFAARO CCc1noc2ncc(S(=O)(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000225425694 570573014 /nfs/dbraw/zinc/57/30/14/570573014.db2.gz KDEPJORLDJSXPX-QGZVFWFLSA-N 1 0 388.493 2.887 50 0 GFAARO Cc1ccsc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011815282 570583933 /nfs/dbraw/zinc/58/39/33/570583933.db2.gz JHCJATVBFIACDT-HNNXBMFYSA-N 1 0 375.538 2.652 50 0 GFAARO COC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000012021143 570599059 /nfs/dbraw/zinc/59/90/59/570599059.db2.gz QBAGPNAAABXOLF-IBGZPJMESA-N 1 0 382.460 2.876 50 0 GFAARO COC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012203882 570625466 /nfs/dbraw/zinc/62/54/66/570625466.db2.gz WOLUIVUGDGUYQZ-KRWDZBQOSA-N 1 0 383.492 2.890 50 0 GFAARO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012297205 570634453 /nfs/dbraw/zinc/63/44/53/570634453.db2.gz IVXXNUPGKYEOCB-OAQYLSRUSA-N 1 0 399.535 2.948 50 0 GFAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C[C@H]1CCCO1 ZINC000012306550 570639334 /nfs/dbraw/zinc/63/93/34/570639334.db2.gz MNKFHWVEKYXYAZ-QGZVFWFLSA-N 1 0 398.532 2.979 50 0 GFAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841205 570643213 /nfs/dbraw/zinc/64/32/13/570643213.db2.gz JRZOOXYRGSZFJQ-UHFFFAOYSA-N 1 0 388.537 2.709 50 0 GFAARO CCOc1ccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc1 ZINC000230198304 570668365 /nfs/dbraw/zinc/66/83/65/570668365.db2.gz QLYMVCZFOYPABE-HSZRJFAPSA-N 1 0 385.552 2.994 50 0 GFAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000012581728 570683872 /nfs/dbraw/zinc/68/38/72/570683872.db2.gz BCHAFLMNZAWOJI-FQEVSTJZSA-N 1 0 385.552 2.720 50 0 GFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2cccs2)CC1 ZINC000012585131 570685004 /nfs/dbraw/zinc/68/50/04/570685004.db2.gz RSPJQIWVFMFXKT-GOSISDBHSA-N 1 0 380.554 2.657 50 0 GFAARO Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000012588367 570686149 /nfs/dbraw/zinc/68/61/49/570686149.db2.gz LFQDQSKPGLEHAK-QGZVFWFLSA-N 1 0 379.932 2.702 50 0 GFAARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000241869076 570688087 /nfs/dbraw/zinc/68/80/87/570688087.db2.gz SUFNZSBFNQAHBB-QWHCGFSZSA-N 1 0 388.434 2.690 50 0 GFAARO C[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000055369513 570692835 /nfs/dbraw/zinc/69/28/35/570692835.db2.gz HQVDYKMRPVPMFY-MRXNPFEDSA-N 1 0 384.524 2.596 50 0 GFAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000058178608 570716503 /nfs/dbraw/zinc/71/65/03/570716503.db2.gz GGKSHMFTDQBQOB-QHCPKHFHSA-N 1 0 393.531 2.902 50 0 GFAARO Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cccn3)nc2)[NH+](C)C)cc1 ZINC000058264958 570723725 /nfs/dbraw/zinc/72/37/25/570723725.db2.gz FGOZJCBYBYPBOM-LJQANCHMSA-N 1 0 378.480 2.678 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000007005623 570736562 /nfs/dbraw/zinc/73/65/62/570736562.db2.gz DAVGMSFAWNXMPS-MRXNPFEDSA-N 1 0 393.509 2.730 50 0 GFAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2cccc3ccccc32)[nH+]1 ZINC000065362501 570759962 /nfs/dbraw/zinc/75/99/62/570759962.db2.gz DPXOSIZYKIOGIM-UHFFFAOYSA-N 1 0 391.475 2.617 50 0 GFAARO CCn1ncnc1-c1c(-c2ccccc2)ncn1C[C@@H]1CC[N@H+](CCOC)C1 ZINC000065384817 570763587 /nfs/dbraw/zinc/76/35/87/570763587.db2.gz QSSMVPXQOHHQNM-QGZVFWFLSA-N 1 0 380.496 2.797 50 0 GFAARO Cc1cc(C)c(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)n1 ZINC000065385915 570764019 /nfs/dbraw/zinc/76/40/19/570764019.db2.gz ABAKFIAEPBSPHR-IBGZPJMESA-N 1 0 380.492 2.956 50 0 GFAARO c1nn(-c2ccc3c(c2)OCCO3)cc1C1=CCN(CC[NH+]2CCCC2)CC1 ZINC000065434287 570768682 /nfs/dbraw/zinc/76/86/82/570768682.db2.gz ARYGVJJGPRFFJZ-UHFFFAOYSA-N 1 0 380.492 2.828 50 0 GFAARO CCc1ccc([C@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)[NH+](C)C)cc1 ZINC000032733367 570788142 /nfs/dbraw/zinc/78/81/42/570788142.db2.gz ITHUSWYOIXEERF-FQEVSTJZSA-N 1 0 394.523 2.655 50 0 GFAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795681 570815922 /nfs/dbraw/zinc/81/59/22/570815922.db2.gz SPYJIQIOKNRNCY-OAQYLSRUSA-N 1 0 391.515 2.906 50 0 GFAARO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827288 570820096 /nfs/dbraw/zinc/82/00/96/570820096.db2.gz OTLUOAUMLKXYNA-LJQANCHMSA-N 1 0 379.508 2.621 50 0 GFAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1C ZINC000012507680 570823598 /nfs/dbraw/zinc/82/35/98/570823598.db2.gz VCCKWWSGLZMLPZ-GOSISDBHSA-N 1 0 379.420 2.611 50 0 GFAARO O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007339994 570830939 /nfs/dbraw/zinc/83/09/39/570830939.db2.gz MYLUUIZQTXNXNY-UHFFFAOYSA-N 1 0 394.504 2.989 50 0 GFAARO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000170611650 570867483 /nfs/dbraw/zinc/86/74/83/570867483.db2.gz ZAORKFMIIORJEW-UHFFFAOYSA-N 1 0 393.434 2.938 50 0 GFAARO O=C(Cc1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012599083 570885819 /nfs/dbraw/zinc/88/58/19/570885819.db2.gz BXSPEHCIFPNZJI-IBGZPJMESA-N 1 0 381.476 2.902 50 0 GFAARO CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)sc2C1 ZINC000032904844 570902712 /nfs/dbraw/zinc/90/27/12/570902712.db2.gz ZHYFJVNCLGMBNZ-CYBMUJFWSA-N 1 0 388.493 2.775 50 0 GFAARO CCn1ncc(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1C ZINC000534651195 570914187 /nfs/dbraw/zinc/91/41/87/570914187.db2.gz UBJLKIDPIMFQIO-OAQYLSRUSA-N 1 0 381.524 2.596 50 0 GFAARO CCn1ncc(-c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)cc2)c1C ZINC000534675311 570923203 /nfs/dbraw/zinc/92/32/03/570923203.db2.gz SWRWGNSTKJSGRF-FQEVSTJZSA-N 1 0 384.524 2.845 50 0 GFAARO O=C(CN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012715589 570967954 /nfs/dbraw/zinc/96/79/54/570967954.db2.gz WNRMSRXBJMBCHQ-QHCPKHFHSA-N 1 0 383.536 2.556 50 0 GFAARO O=C1OCC[C@H]1N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252484289 570968510 /nfs/dbraw/zinc/96/85/10/570968510.db2.gz FTSGZPRKEAOGNE-GOSISDBHSA-N 1 0 397.441 2.607 50 0 GFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000045677513 570994737 /nfs/dbraw/zinc/99/47/37/570994737.db2.gz HLFXBWNWWCJBNJ-UHFFFAOYSA-N 1 0 379.460 2.684 50 0 GFAARO O=S(=O)(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1F ZINC000046071436 571019004 /nfs/dbraw/zinc/01/90/04/571019004.db2.gz ZOPWBNASLVBLMU-UHFFFAOYSA-N 1 0 384.423 2.831 50 0 GFAARO Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000426383174 231210673 /nfs/dbraw/zinc/21/06/73/231210673.db2.gz WFCHQHYGCSCNRT-FQEVSTJZSA-N 1 0 383.540 2.644 50 0 GFAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[C@H]([NH+](C)C)C3)nc2)cc1 ZINC000019300426 210240586 /nfs/dbraw/zinc/24/05/86/210240586.db2.gz CUBHOPPSAFTPKA-IBGZPJMESA-N 1 0 382.508 2.593 50 0 GFAARO CC(C)N(CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000016419685 210189114 /nfs/dbraw/zinc/18/91/14/210189114.db2.gz ZRODVHXLSJXZHS-CQSZACIVSA-N 1 0 390.534 2.683 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677608 210163085 /nfs/dbraw/zinc/16/30/85/210163085.db2.gz YIUXFQFNXQQSFF-INIZCTEOSA-N 1 0 382.508 2.727 50 0 GFAARO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000015335984 210155695 /nfs/dbraw/zinc/15/56/95/210155695.db2.gz HEDAWYIMIMCCIF-UHFFFAOYSA-N 1 0 388.489 2.532 50 0 GFAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCN3CCOCC3)C2)cc1 ZINC000015080719 210152166 /nfs/dbraw/zinc/15/21/66/210152166.db2.gz DPRQUSMETAAYPW-QFIPXVFZSA-N 1 0 387.568 2.688 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000015002475 210142787 /nfs/dbraw/zinc/14/27/87/210142787.db2.gz XMQWFVRGXRIJOS-SFHVURJKSA-N 1 0 383.496 2.750 50 0 GFAARO Cc1cccc(CC(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000014980924 210137455 /nfs/dbraw/zinc/13/74/55/210137455.db2.gz BUICWEUWNMVLKF-LJQANCHMSA-N 1 0 383.536 2.519 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)CSC)CC1 ZINC000014950977 210130988 /nfs/dbraw/zinc/13/09/88/210130988.db2.gz LJVABRPDKDOMFF-OAHLLOKOSA-N 1 0 396.553 2.666 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014755251 210126832 /nfs/dbraw/zinc/12/68/32/210126832.db2.gz ZRDPTCYMSAHQOD-GOSISDBHSA-N 1 0 381.524 2.817 50 0 GFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014740348 210125045 /nfs/dbraw/zinc/12/50/45/210125045.db2.gz IDSGQXWDHMHNLW-QGZVFWFLSA-N 1 0 393.466 2.531 50 0 GFAARO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2)n1 ZINC000014254061 210114314 /nfs/dbraw/zinc/11/43/14/210114314.db2.gz VVLKODHIQNAGBB-UHFFFAOYSA-N 1 0 390.491 2.888 50 0 GFAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3cncn3)cc2)[NH+]2CCCC2)cc1 ZINC000014050910 210101961 /nfs/dbraw/zinc/10/19/61/210101961.db2.gz ZKEIAPSGSOZPLJ-NRFANRHFSA-N 1 0 391.475 2.843 50 0 GFAARO O=c1cc(CSc2ccccn2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000013639798 210074110 /nfs/dbraw/zinc/07/41/10/210074110.db2.gz ZDBCEWQSNZFZNM-UHFFFAOYSA-N 1 0 393.516 2.779 50 0 GFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 ZINC000012917955 210027435 /nfs/dbraw/zinc/02/74/35/210027435.db2.gz KNEBDUJFYUSIAL-UHFFFAOYSA-N 1 0 393.534 2.715 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2C)CC1 ZINC000012528291 209969321 /nfs/dbraw/zinc/96/93/21/209969321.db2.gz DECOEHHBNIAUGI-NRFANRHFSA-N 1 0 381.476 2.915 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000253623638 209220956 /nfs/dbraw/zinc/22/09/56/209220956.db2.gz CQEABHXMZGKDIQ-QFBILLFUSA-N 1 0 382.508 2.991 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000253413027 209219275 /nfs/dbraw/zinc/21/92/75/209219275.db2.gz SUGLCWZRPYGOGR-KEZQHZCBSA-N 1 0 383.536 2.929 50 0 GFAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000299788115 212039634 /nfs/dbraw/zinc/03/96/34/212039634.db2.gz RQOQTCQZKRHNLZ-RDJZCZTQSA-N 1 0 377.876 2.755 50 0 GFAARO COc1ccc(-c2ccccc2NC(=O)N2CCN3CC[N@H+](C)C[C@H]3C2)cc1 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YTEYQDJRWAPBGN-NRFANRHFSA-N 1 0 378.451 2.964 50 0 GFAARO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 ZINC000096007197 211294468 /nfs/dbraw/zinc/29/44/68/211294468.db2.gz CLEUNMAFXPTLEO-INIZCTEOSA-N 1 0 384.505 2.973 50 0 GFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000096139768 211307127 /nfs/dbraw/zinc/30/71/27/211307127.db2.gz JTFMVICTLSKERQ-HXUWFJFHSA-N 1 0 383.536 2.727 50 0 GFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1 ZINC000095529824 211274011 /nfs/dbraw/zinc/27/40/11/211274011.db2.gz BDZQGZCLGUQWBJ-FQEVSTJZSA-N 1 0 378.476 2.703 50 0 GFAARO Cc1nncn1CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000095524428 211270281 /nfs/dbraw/zinc/27/02/81/211270281.db2.gz CTVMGPSDZVYHMO-SFHVURJKSA-N 1 0 377.492 2.882 50 0 GFAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cnc(C)nc2)cc1 ZINC000095520350 211266940 /nfs/dbraw/zinc/26/69/40/211266940.db2.gz KBLJMVFHXMKGLP-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)c1 ZINC000095498453 211251562 /nfs/dbraw/zinc/25/15/62/211251562.db2.gz IEHUZKGKNWWGRW-LJQANCHMSA-N 1 0 399.510 2.941 50 0 GFAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc3c(cc1C)OCCO3)CC2 ZINC000095511434 211261445 /nfs/dbraw/zinc/26/14/45/211261445.db2.gz ZZXMCSWLUNVPBC-UHFFFAOYSA-N 1 0 382.508 2.859 50 0 GFAARO O=C(c1ccc2n[nH]nc2c1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095505984 211256711 /nfs/dbraw/zinc/25/67/11/211256711.db2.gz YONQZWGSKMZMKZ-IOMROCGXSA-N 1 0 391.450 2.799 50 0 GFAARO CC[C@H](C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C)n1cccn1 ZINC000095504832 211254463 /nfs/dbraw/zinc/25/44/63/211254463.db2.gz RLDALYMQBFLTIM-GOSISDBHSA-N 1 0 384.528 2.589 50 0 GFAARO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cccc(S(N)(=O)=O)c3)cc2)n1 ZINC000095469140 211245565 /nfs/dbraw/zinc/24/55/65/211245565.db2.gz DZTVTTHWCRSGOC-MRXNPFEDSA-N 1 0 384.505 2.987 50 0 GFAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000095361683 211223711 /nfs/dbraw/zinc/22/37/11/211223711.db2.gz IABDOZIYQWOIPV-UHFFFAOYSA-N 1 0 382.508 2.790 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)c3ccc(C)c(Cl)c3)CC[N@@H+]2C)CCC1=O ZINC000095380743 211232724 /nfs/dbraw/zinc/23/27/24/211232724.db2.gz XTYYSBRBKHHFCD-FQEVSTJZSA-N 1 0 377.916 2.807 50 0 GFAARO COc1ccc([C@@H]2CN(C(=O)Cc3cc(C)no3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095370708 211228570 /nfs/dbraw/zinc/22/85/70/211228570.db2.gz QBKHWGACDDKOEL-KSEOMHKRSA-N 1 0 381.476 2.623 50 0 GFAARO CCNc1ncc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095365895 211225915 /nfs/dbraw/zinc/22/59/15/211225915.db2.gz AJSDZKJIBVUJRJ-BHDDXSALSA-N 1 0 393.535 2.979 50 0 GFAARO CCN1CC[C@]2(CN(Cc3cccc(OC(F)F)c3)CC[N@@H+]2C)CCC1=O ZINC000091873187 211210982 /nfs/dbraw/zinc/21/09/82/211210982.db2.gz YNBXFRZVRLKKGK-FQEVSTJZSA-N 1 0 381.467 2.807 50 0 GFAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091694294 211202555 /nfs/dbraw/zinc/20/25/55/211202555.db2.gz VSSHIAFCGUCHJE-FQEVSTJZSA-N 1 0 398.551 2.687 50 0 GFAARO Cc1oncc1S(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091595754 211197504 /nfs/dbraw/zinc/19/75/04/211197504.db2.gz LCTDFSFGIISESD-SFHVURJKSA-N 1 0 389.521 2.873 50 0 GFAARO CCN1CC[C@@]2(CN(C(=O)Nc3ccc(F)cc3F)CC[N@@H+]2C)CCC1=O ZINC000091860840 211207858 /nfs/dbraw/zinc/20/78/58/211207858.db2.gz QMVRZBIBJQCPSA-LJQANCHMSA-N 1 0 380.439 2.515 50 0 GFAARO CCc1ccc(C[NH+]2CCC(c3nnc(Cn4cccn4)n3CC)CC2)nc1 ZINC000091351010 211190954 /nfs/dbraw/zinc/19/09/54/211190954.db2.gz JLRIYQJAFVFLIV-UHFFFAOYSA-N 1 0 379.512 2.880 50 0 GFAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192655 /nfs/dbraw/zinc/19/26/55/211192655.db2.gz FOTOSBOQOTWGCT-VGSWGCGISA-N 1 0 389.515 2.911 50 0 GFAARO COc1cccc(CCC(=O)N(C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000089340084 211180302 /nfs/dbraw/zinc/18/03/02/211180302.db2.gz ZJCHISPPEBNCAY-JOCHJYFZSA-N 1 0 396.531 2.548 50 0 GFAARO COc1ccc(Cl)cc1C(=O)NCc1cc2n(n1)CC[N@H+](CC(C)C)C2 ZINC000082126761 211162018 /nfs/dbraw/zinc/16/20/18/211162018.db2.gz VVHAWUFOABNKOL-UHFFFAOYSA-N 1 0 376.888 2.947 50 0 GFAARO CC[N@@H+]1CCC[C@@H](c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)C1 ZINC000082161077 211163791 /nfs/dbraw/zinc/16/37/91/211163791.db2.gz KCRQTJTYVBOVQZ-OAHLLOKOSA-N 1 0 376.526 2.557 50 0 GFAARO C[C@@H](CCn1cccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077538532 211138439 /nfs/dbraw/zinc/13/84/39/211138439.db2.gz ZCDMDSFPGZQRHW-HNNXBMFYSA-N 1 0 376.888 2.633 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077456537 211135001 /nfs/dbraw/zinc/13/50/01/211135001.db2.gz FGWGEDUBMZFSBU-LJQANCHMSA-N 1 0 385.508 2.527 50 0 GFAARO COc1cc(SC)c(OC)cc1CN1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072431115 211117373 /nfs/dbraw/zinc/11/73/73/211117373.db2.gz JRHRMQCCHVRKEJ-KRWDZBQOSA-N 1 0 380.554 2.847 50 0 GFAARO CCCc1noc(CCCC(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 ZINC000072272848 211083279 /nfs/dbraw/zinc/08/32/79/211083279.db2.gz MWNLVSPLZCRXII-UHFFFAOYSA-N 1 0 386.496 2.858 50 0 GFAARO COc1ccc(Oc2cccc(CN3CCO[C@@]4(C3)C[NH2+]CCOC4)c2)cc1 ZINC000072162649 211080619 /nfs/dbraw/zinc/08/06/19/211080619.db2.gz PZAQWHZEORPDHY-JOCHJYFZSA-N 1 0 384.476 2.678 50 0 GFAARO O=C(c1ncoc1C1CC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163452 211079637 /nfs/dbraw/zinc/07/96/37/211079637.db2.gz LUHDYESRFQTXSG-DFQSSKMNSA-N 1 0 379.460 2.960 50 0 GFAARO O=C(Nc1ccc(F)cc1)[C@H]1CN(Cc2c(Cl)cncc2Cl)CC[NH2+]1 ZINC000072158356 211078362 /nfs/dbraw/zinc/07/83/62/211078362.db2.gz FPZUWOCCTCSVDV-MRXNPFEDSA-N 1 0 383.254 2.940 50 0 GFAARO Cc1c(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072156419 211078143 /nfs/dbraw/zinc/07/81/43/211078143.db2.gz FUCVHXNZMPVBGX-VLCRHTCISA-N 1 0 380.492 2.519 50 0 GFAARO CCCN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072133478 211074342 /nfs/dbraw/zinc/07/43/42/211074342.db2.gz PRRBZISASFBUDM-QFIPXVFZSA-N 1 0 393.531 2.877 50 0 GFAARO COc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071754795 211058121 /nfs/dbraw/zinc/05/81/21/211058121.db2.gz UJMUOZLDVQNUFC-IBGZPJMESA-N 1 0 386.471 2.997 50 0 GFAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071760150 211058014 /nfs/dbraw/zinc/05/80/14/211058014.db2.gz ONNMRQKTFHFIFJ-SFHVURJKSA-N 1 0 399.564 2.531 50 0 GFAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)o1 ZINC000071748077 211052759 /nfs/dbraw/zinc/05/27/59/211052759.db2.gz VUVVFMYEFPHXDI-SFHVURJKSA-N 1 0 387.524 2.659 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCC3(O)CCCC3)C2=O)cc1 ZINC000067894071 211030047 /nfs/dbraw/zinc/03/00/47/211030047.db2.gz WJYFTOMSCUZPBJ-HSZRJFAPSA-N 1 0 388.552 2.948 50 0 GFAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](CCCn2cccn2)CCO3)n1 ZINC000067804539 211023270 /nfs/dbraw/zinc/02/32/70/211023270.db2.gz DCKISIASTGXZSN-UHFFFAOYSA-N 1 0 379.464 2.947 50 0 GFAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067805833 211022739 /nfs/dbraw/zinc/02/27/39/211022739.db2.gz BWSSTPHOLLYDPM-KRWDZBQOSA-N 1 0 384.480 2.960 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cnccn3)C2=O)cc1 ZINC000067921984 211029449 /nfs/dbraw/zinc/02/94/49/211029449.db2.gz MJZRNQZAUMTODN-QFIPXVFZSA-N 1 0 382.508 2.586 50 0 GFAARO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)C1 ZINC000067773329 211020773 /nfs/dbraw/zinc/02/07/73/211020773.db2.gz PYBZYRPWPKPPMT-KRWDZBQOSA-N 1 0 377.448 2.513 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CC3(C(C)C)CC3)C2=O)c1 ZINC000067740384 211018762 /nfs/dbraw/zinc/01/87/62/211018762.db2.gz HNLWWNZHSVFRJE-NRFANRHFSA-N 1 0 378.488 2.714 50 0 GFAARO Cc1nc2ncccn2c1C(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000067742648 211018533 /nfs/dbraw/zinc/01/85/33/211018533.db2.gz VTDQIVSYQQWAFA-LJQANCHMSA-N 1 0 389.503 2.742 50 0 GFAARO CN1CC[N@H+](C[C@@H]2CCOC2)CC12CCN(C(=O)CCC1CCCC1)CC2 ZINC000067458096 211009696 /nfs/dbraw/zinc/00/96/96/211009696.db2.gz 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O=C(CCC(=O)N1C[C@H]2CCCN2c2ccccc21)NCC[NH+]1CCCCCC1 ZINC000020988023 210372670 /nfs/dbraw/zinc/37/26/70/210372670.db2.gz PAKGFHTVTGNDQR-LJQANCHMSA-N 1 0 398.551 2.774 50 0 GFAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)CCN3CCOCC3)CC2)cc1C ZINC000020734021 210358484 /nfs/dbraw/zinc/35/84/84/210358484.db2.gz HCBLLWFUXLGNFD-UHFFFAOYSA-N 1 0 390.597 2.729 50 0 GFAARO O=C(C1=CCCC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600963 210351137 /nfs/dbraw/zinc/35/11/37/210351137.db2.gz RGTNSUSSUQCWMH-FQEVSTJZSA-N 1 0 397.519 2.634 50 0 GFAARO CCOC(=O)C1=C(C[NH2+]CCc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020213784 210324407 /nfs/dbraw/zinc/32/44/07/210324407.db2.gz KPMCSBYNCXUGRK-OAQYLSRUSA-N 1 0 393.487 2.998 50 0 GFAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000020102751 210316632 /nfs/dbraw/zinc/31/66/32/210316632.db2.gz RVHVOXLSYJVTFB-UHFFFAOYSA-N 1 0 393.915 2.853 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)cc1C ZINC000019794959 210298106 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2.748 50 0 GFAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000090607830 136176090 /nfs/dbraw/zinc/17/60/90/136176090.db2.gz ZHUMUQRIZYSKJZ-KRWDZBQOSA-N 1 0 391.475 2.692 50 0 GFAARO Cc1cc(C)nc(N2CCC([NH2+]Cc3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000095378150 136178810 /nfs/dbraw/zinc/17/88/10/136178810.db2.gz AZRNJDLSPFUCLM-UHFFFAOYSA-N 1 0 379.508 2.979 50 0 GFAARO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000171863533 136199414 /nfs/dbraw/zinc/19/94/14/136199414.db2.gz IUZMFSRDTYNLKN-FQEVSTJZSA-N 1 0 379.504 2.709 50 0 GFAARO COc1ccc(CCC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011853286 136199788 /nfs/dbraw/zinc/19/97/88/136199788.db2.gz XQXBAGJEMCCPQM-UHFFFAOYSA-N 1 0 381.520 2.956 50 0 GFAARO Cc1nc([C@@H]2CCOC2)cc(N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000426383138 534581718 /nfs/dbraw/zinc/58/17/18/534581718.db2.gz NFVKSWHHMAWGJW-HXUWFJFHSA-N 1 0 378.520 2.968 50 0 GFAARO [NH3+][C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000157988846 527397658 /nfs/dbraw/zinc/39/76/58/527397658.db2.gz PYHKHZSFPXRWLA-LBPRGKRZSA-N 1 0 378.270 2.986 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000426445461 529119740 /nfs/dbraw/zinc/11/97/40/529119740.db2.gz HDILNVHNEUIXGE-NRFANRHFSA-N 1 0 375.488 2.555 50 0 GFAARO CCN1C[C@H]([NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)CC1=O ZINC000096140466 535783584 /nfs/dbraw/zinc/78/35/84/535783584.db2.gz ASLFSVQOUSGKPE-LJQANCHMSA-N 1 0 379.508 2.631 50 0 GFAARO Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158151254 551547297 /nfs/dbraw/zinc/54/72/97/551547297.db2.gz JTBPDLMCRHTDDB-INIZCTEOSA-N 1 0 391.313 2.874 50 0 GFAARO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000179162090 552186117 /nfs/dbraw/zinc/18/61/17/552186117.db2.gz OWVHGOAAYZVWDP-GPAUDHNESA-N 1 0 387.343 2.546 50 0 GFAARO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000229646414 553064252 /nfs/dbraw/zinc/06/42/52/553064252.db2.gz WSFUKHIVBRCTJR-OLZOCXBDSA-N 1 0 380.432 2.907 50 0 GFAARO COc1cc(Br)c(C[NH2+]CCNc2ccc(C)nn2)c(OC)c1 ZINC000242183874 553087288 /nfs/dbraw/zinc/08/72/88/553087288.db2.gz XCQUGGLOPAYRDN-UHFFFAOYSA-N 1 0 381.274 2.766 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000299738859 563390951 /nfs/dbraw/zinc/39/09/51/563390951.db2.gz HJXMNYDKKVXNGY-AWEZNQCLSA-N 1 0 381.314 2.565 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)[NH+]2CCCCC2)cc1 ZINC000048185840 570220169 /nfs/dbraw/zinc/22/01/69/570220169.db2.gz MEZBYMFBZBHBGY-UZLBHIALSA-N 1 0 399.491 2.750 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccccc1 ZINC000048287247 570227700 /nfs/dbraw/zinc/22/77/00/570227700.db2.gz SPUCDMQROYFJQD-OAQYLSRUSA-N 1 0 392.503 2.940 50 0 GFAARO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)ccc1OCCO ZINC000048275595 570229790 /nfs/dbraw/zinc/22/97/90/570229790.db2.gz IDCXKYOMDKBFGX-OAHLLOKOSA-N 1 0 382.464 2.713 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(OC)c2)C3)CC1 ZINC000015779557 570243641 /nfs/dbraw/zinc/24/36/41/570243641.db2.gz ORNVUFKSRSACFZ-UHFFFAOYSA-N 1 0 381.524 2.576 50 0 GFAARO NC(=O)C1CC[NH+](CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012906215 570289923 /nfs/dbraw/zinc/28/99/23/570289923.db2.gz IYSSPFJJJZNNCG-UHFFFAOYSA-N 1 0 382.386 2.885 50 0 GFAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000053392136 570322257 /nfs/dbraw/zinc/32/22/57/570322257.db2.gz FPKZLIDFRCDSJA-HNNXBMFYSA-N 1 0 375.538 2.752 50 0 GFAARO COCCN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)CCCCC[NH3+] ZINC000034904988 570339003 /nfs/dbraw/zinc/33/90/03/570339003.db2.gz FDRFILWHCTWIKB-UHFFFAOYSA-N 1 0 394.903 2.927 50 0 GFAARO COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000237256525 570340773 /nfs/dbraw/zinc/34/07/73/570340773.db2.gz JFSNJABTKZRLHW-IBGZPJMESA-N 1 0 385.483 2.821 50 0 GFAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000023339723 570355284 /nfs/dbraw/zinc/35/52/84/570355284.db2.gz GQJRYRAWIGDSFH-MRXNPFEDSA-N 1 0 379.464 2.729 50 0 GFAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2cccc(C)c2)c1 ZINC000004412478 570374138 /nfs/dbraw/zinc/37/41/38/570374138.db2.gz ADXZKUGDSKJWGL-UHFFFAOYSA-N 1 0 397.475 2.551 50 0 GFAARO Cn1cc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000222308863 570408470 /nfs/dbraw/zinc/40/84/70/570408470.db2.gz BHLNBJBFWSGADB-OTWHNJEPSA-N 1 0 392.544 2.747 50 0 GFAARO Cc1c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237942451 570415204 /nfs/dbraw/zinc/41/52/04/570415204.db2.gz FEKPIKXVYNUODP-UHFFFAOYSA-N 1 0 397.523 2.811 50 0 GFAARO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000156813518 570459836 /nfs/dbraw/zinc/45/98/36/570459836.db2.gz HMBYRNYOSSYKBC-OXJNMPFZSA-N 1 0 386.517 2.860 50 0 GFAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000011100367 570521715 /nfs/dbraw/zinc/52/17/15/570521715.db2.gz RWHBDYQWHUDPTJ-KSSFIOAISA-N 1 0 375.494 2.648 50 0 GFAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OC ZINC000008253591 570525639 /nfs/dbraw/zinc/52/56/39/570525639.db2.gz VZDYZHFLTAGCEE-UHFFFAOYSA-N 1 0 387.318 2.668 50 0 GFAARO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COc2ccccc2)cc1 ZINC000036101685 570538573 /nfs/dbraw/zinc/53/85/73/570538573.db2.gz PQMJVBDUCNVJPC-QFIPXVFZSA-N 1 0 384.520 2.569 50 0 GFAARO CC(C)(C)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908310 570566620 /nfs/dbraw/zinc/56/66/20/570566620.db2.gz KEITYDJLOLCNTO-KRWDZBQOSA-N 1 0 385.533 2.878 50 0 GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000269297212 570576388 /nfs/dbraw/zinc/57/63/88/570576388.db2.gz WIPWSYJONCRBLI-VQIMIIECSA-N 1 0 386.517 2.860 50 0 GFAARO O=C(CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)NC[C@@H]1CCCO1 ZINC000011816833 570584519 /nfs/dbraw/zinc/58/45/19/570584519.db2.gz JEJJOYCHDRQMNQ-IBGZPJMESA-N 1 0 388.508 2.745 50 0 GFAARO COc1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039537058 570593585 /nfs/dbraw/zinc/59/35/85/570593585.db2.gz JAXLFGOURWCIAV-MRXNPFEDSA-N 1 0 390.505 2.554 50 0 GFAARO O=C(NC1CC1)[C@@H]1Cc2ccccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169679363 570600709 /nfs/dbraw/zinc/60/07/09/570600709.db2.gz GINNXDMPBGHAJA-GGAORHGYSA-N 1 0 391.515 2.707 50 0 GFAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1 ZINC000012073193 570604863 /nfs/dbraw/zinc/60/48/63/570604863.db2.gz GYXWUSRIRGPXCY-HSZRJFAPSA-N 1 0 383.536 2.822 50 0 GFAARO COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OC(C)C ZINC000040744652 570614163 /nfs/dbraw/zinc/61/41/63/570614163.db2.gz VWXKALDGKRXXRS-UHFFFAOYSA-N 1 0 385.921 2.931 50 0 GFAARO CCOc1cc(C[NH+]2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)ccc1OC ZINC000012158278 570618869 /nfs/dbraw/zinc/61/88/69/570618869.db2.gz PQMMSQYOKHETIK-SFHVURJKSA-N 1 0 376.497 2.744 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H](C)O)c1 ZINC000012195267 570623271 /nfs/dbraw/zinc/62/32/71/570623271.db2.gz NDQJYHVCTCKVCX-OAHLLOKOSA-N 1 0 376.497 2.592 50 0 GFAARO CC(C)OCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000225843309 570625242 /nfs/dbraw/zinc/62/52/42/570625242.db2.gz UMNQFRGQUVNXHU-UHFFFAOYSA-N 1 0 391.537 2.746 50 0 GFAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1cc2ncccn2n1 ZINC000012470283 570672162 /nfs/dbraw/zinc/67/21/62/570672162.db2.gz ASNRZSHPWMSIIU-KRWDZBQOSA-N 1 0 395.482 2.895 50 0 GFAARO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1 ZINC000033040122 570678891 /nfs/dbraw/zinc/67/88/91/570678891.db2.gz RCOQHIZVXGVCFI-RDTXWAMCSA-N 1 0 375.494 2.710 50 0 GFAARO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000055408877 570694874 /nfs/dbraw/zinc/69/48/74/570694874.db2.gz DJSLMQVHDYKZII-RBUKOAKNSA-N 1 0 399.578 2.501 50 0 GFAARO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000244795801 570696863 /nfs/dbraw/zinc/69/68/63/570696863.db2.gz RNXAXTBBTIJQPG-LJQANCHMSA-N 1 0 377.554 2.926 50 0 GFAARO Cc1ccc(CNC(=O)CCN2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000244874558 570697968 /nfs/dbraw/zinc/69/79/68/570697968.db2.gz XDDPLBSCGFZTHJ-UHFFFAOYSA-N 1 0 377.532 2.786 50 0 GFAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2=O)cc1 ZINC000006942593 570715472 /nfs/dbraw/zinc/71/54/72/570715472.db2.gz QIGIEXWXJLPUPS-PZJWPPBQSA-N 1 0 385.552 2.767 50 0 GFAARO COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000058178610 570716473 /nfs/dbraw/zinc/71/64/73/570716473.db2.gz GGKSHMFTDQBQOB-HSZRJFAPSA-N 1 0 393.531 2.902 50 0 GFAARO O=C(CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1)NC1CCCC1 ZINC000058371012 570729815 /nfs/dbraw/zinc/72/98/15/570729815.db2.gz OZANGNYJBDSVOG-UHFFFAOYSA-N 1 0 375.488 2.603 50 0 GFAARO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000058406596 570731880 /nfs/dbraw/zinc/73/18/80/570731880.db2.gz PSAOGNWDIYEVMK-HNNXBMFYSA-N 1 0 380.483 2.963 50 0 GFAARO O=C(NCCc1cccnc1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256267 570755265 /nfs/dbraw/zinc/75/52/65/570755265.db2.gz XVZUDHHXQDUDTQ-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]1 ZINC000036708095 570793345 /nfs/dbraw/zinc/79/33/45/570793345.db2.gz FCPDNIDKITURGE-UHFFFAOYSA-N 1 0 376.411 2.897 50 0 GFAARO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000101448735 570823674 /nfs/dbraw/zinc/82/36/74/570823674.db2.gz CCOPVQLUBGRJLI-UHFFFAOYSA-N 1 0 377.488 2.823 50 0 GFAARO CCCC[N@H+](C)CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000004687649 570834020 /nfs/dbraw/zinc/83/40/20/570834020.db2.gz JBTFTXZXVBRTHF-UHFFFAOYSA-N 1 0 392.931 2.905 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc(F)c1 ZINC000046699545 570855509 /nfs/dbraw/zinc/85/55/09/570855509.db2.gz KVZFGSPNOPATKV-DNVCBOLYSA-N 1 0 387.430 2.737 50 0 GFAARO CC[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2F)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000170606124 570863889 /nfs/dbraw/zinc/86/38/89/570863889.db2.gz RIBVUFGMGYEQJI-SJORKVTESA-N 1 0 393.503 2.870 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)Cc1ccccc1 ZINC000012568926 570872643 /nfs/dbraw/zinc/87/26/43/570872643.db2.gz ZDYTZYOEPLOTDD-LJQANCHMSA-N 1 0 395.532 3.000 50 0 GFAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cnc2ccccn2c1=O ZINC000032902485 570898456 /nfs/dbraw/zinc/89/84/56/570898456.db2.gz SECVLLHJDAOVRT-SFHVURJKSA-N 1 0 396.878 2.915 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000152478800 570903252 /nfs/dbraw/zinc/90/32/52/570903252.db2.gz QLPJRUKZLWXITH-SFHVURJKSA-N 1 0 376.460 2.650 50 0 GFAARO Cc1nccn1CC1(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534586393 570904806 /nfs/dbraw/zinc/90/48/06/570904806.db2.gz IFBFWOTZOZHAEJ-HXUWFJFHSA-N 1 0 381.524 2.888 50 0 GFAARO Cc1cc2ncn(C[C@H](O)CN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2cc1C ZINC000051319460 570911841 /nfs/dbraw/zinc/91/18/41/570911841.db2.gz OOYSWGHWCYIWMG-DMPWYTOCSA-N 1 0 383.492 2.825 50 0 GFAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000023127527 570912589 /nfs/dbraw/zinc/91/25/89/570912589.db2.gz WFMDLKDLEPBUMC-UHFFFAOYSA-N 1 0 393.459 2.993 50 0 GFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC000534651125 570914135 /nfs/dbraw/zinc/91/41/35/570914135.db2.gz CNSFOVNVWGOHNB-INIZCTEOSA-N 1 0 380.483 2.524 50 0 GFAARO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000106920725 570968681 /nfs/dbraw/zinc/96/86/81/570968681.db2.gz LGKGMYWJUMNVGA-XLIONFOSSA-N 1 0 388.556 2.912 50 0 GFAARO C[N@@H+]1CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@H]1c1ccccc1 ZINC000107540589 570974572 /nfs/dbraw/zinc/97/45/72/570974572.db2.gz JOCCCRMUZJUWLX-YLJYHZDGSA-N 1 0 377.448 2.626 50 0 GFAARO CN(C(=O)C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1)[C@H]1CCCc2ccccc21 ZINC000107528678 570974862 /nfs/dbraw/zinc/97/48/62/570974862.db2.gz YRYGUFFTUALDGA-VCOUNFBDSA-N 1 0 396.535 2.702 50 0 GFAARO CN(CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C(=O)c1ccsc1 ZINC000053028083 570976822 /nfs/dbraw/zinc/97/68/22/570976822.db2.gz IFNXGNFYHIIWEW-UHFFFAOYSA-N 1 0 385.533 2.773 50 0 GFAARO CC[C@H](C(=O)N1C[C@H](OC)C[C@@H]1c1nc(-c2cccnc2)c[nH]1)[NH+](CC)CC ZINC000170682991 571010584 /nfs/dbraw/zinc/01/05/84/571010584.db2.gz SAISANLBZVYLDZ-BHIYHBOVSA-N 1 0 385.512 2.881 50 0 GFAARO CCOC(=O)c1c(C)c(CCC(=O)NCC[NH+]2CCCCCC2)c(C)n1C ZINC000046046641 571016067 /nfs/dbraw/zinc/01/60/67/571016067.db2.gz BORSJVNYAMLBMM-UHFFFAOYSA-N 1 0 377.529 2.743 50 0 GFAARO C[NH+](C)CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079784 571022070 /nfs/dbraw/zinc/02/20/70/571022070.db2.gz HRNFMGSTMBEIDM-UHFFFAOYSA-N 1 0 380.492 2.810 50 0 GFAARO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000176103204 571047768 /nfs/dbraw/zinc/04/77/68/571047768.db2.gz KVNFSXHLVLXGCQ-SFHVURJKSA-N 1 0 377.492 2.871 50 0 GFAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(-n3nc(C)cc3C)c1)C2 ZINC000095523524 571089254 /nfs/dbraw/zinc/08/92/54/571089254.db2.gz ASRKICZHLCEOIP-PZJWPPBQSA-N 1 0 382.508 2.558 50 0 GFAARO CO[C@]12CC[N@H+](Cc3cnn4cccnc34)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426387857 231212539 /nfs/dbraw/zinc/21/25/39/231212539.db2.gz WDDJXZMEYUSOML-BBTUJRGHSA-N 1 0 379.464 2.715 50 0 GFAARO Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000426506651 231231067 /nfs/dbraw/zinc/23/10/67/231231067.db2.gz LUEPLHLNAUJXAS-GOSISDBHSA-N 1 0 378.476 2.636 50 0 GFAARO O=c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)[nH]c(=O)[nH]1 ZINC000426526839 231235425 /nfs/dbraw/zinc/23/54/25/231235425.db2.gz HDZJZBYPQQSPMJ-NRFANRHFSA-N 1 0 388.512 2.673 50 0 GFAARO Cc1cc2c(cc1NC(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)OCCO2 ZINC000426574809 231242526 /nfs/dbraw/zinc/24/25/26/231242526.db2.gz SJWIKXKIQCKJKL-INIZCTEOSA-N 1 0 375.469 2.531 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426503200 529643496 /nfs/dbraw/zinc/64/34/96/529643496.db2.gz AKEAEVODBIHPFJ-INIZCTEOSA-N 1 0 384.549 2.685 50 0 GFAARO CC(C)CC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019223876 210233899 /nfs/dbraw/zinc/23/38/99/210233899.db2.gz AHLZMPBDTCQSSO-LJQANCHMSA-N 1 0 387.524 2.570 50 0 GFAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018117081 210214638 /nfs/dbraw/zinc/21/46/38/210214638.db2.gz AZBHJRZWKAGWJN-GOSISDBHSA-N 1 0 398.459 2.914 50 0 GFAARO COc1cccc(NC(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)c1 ZINC000015825117 210171749 /nfs/dbraw/zinc/17/17/49/210171749.db2.gz IDCNMVIOPQEVCN-UHFFFAOYSA-N 1 0 396.495 2.748 50 0 GFAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000015784628 210169583 /nfs/dbraw/zinc/16/95/83/210169583.db2.gz DIJBZAHJMXWTRI-HXUWFJFHSA-N 1 0 384.524 2.994 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770221 210167272 /nfs/dbraw/zinc/16/72/72/210167272.db2.gz WONQOBIIXRHALJ-HNNXBMFYSA-N 1 0 387.553 2.898 50 0 GFAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000015773679 210167078 /nfs/dbraw/zinc/16/70/78/210167078.db2.gz NYCXSXZZGMISIU-QFIPXVFZSA-N 1 0 391.515 2.919 50 0 GFAARO Cc1cc(C)n(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 ZINC000015075445 210149663 /nfs/dbraw/zinc/14/96/63/210149663.db2.gz LEHSSQFEOLPHGL-NRFANRHFSA-N 1 0 395.551 2.622 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@@H](O)CO)cc1F ZINC000014961641 210133859 /nfs/dbraw/zinc/13/38/59/210133859.db2.gz UCRHJBXKMUFLGP-GOSISDBHSA-N 1 0 399.466 2.780 50 0 GFAARO CSc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1 ZINC000014948496 210130491 /nfs/dbraw/zinc/13/04/91/210130491.db2.gz ACNZSTZGHWXROY-NHCUHLMSSA-N 1 0 398.576 2.561 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014752813 210126926 /nfs/dbraw/zinc/12/69/26/210126926.db2.gz WILRWBHHKOLEJZ-SFHVURJKSA-N 1 0 396.535 2.837 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014733389 210125700 /nfs/dbraw/zinc/12/57/00/210125700.db2.gz ZWWRZQQGCJVTJY-QGZVFWFLSA-N 1 0 382.508 2.795 50 0 GFAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(C)n1)C2 ZINC000014732925 210125704 /nfs/dbraw/zinc/12/57/04/210125704.db2.gz BFKJGTYYEKULIU-QGZVFWFLSA-N 1 0 381.524 2.880 50 0 GFAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]Cc1ccccn1)C2 ZINC000014741652 210124997 /nfs/dbraw/zinc/12/49/97/210124997.db2.gz WTTWMFKXUHLCDG-INIZCTEOSA-N 1 0 393.466 2.531 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014743097 210124185 /nfs/dbraw/zinc/12/41/85/210124185.db2.gz DRYZUZGCBLZQQW-QGZVFWFLSA-N 1 0 382.508 2.795 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000013572304 210068764 /nfs/dbraw/zinc/06/87/64/210068764.db2.gz HLJFSDOUDBCMRB-YFMZZAKFSA-N 1 0 389.883 2.515 50 0 GFAARO O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012813970 210014649 /nfs/dbraw/zinc/01/46/49/210014649.db2.gz UYCMHCNCXCDXAT-MRXNPFEDSA-N 1 0 385.489 2.999 50 0 GFAARO CN(Cc1ccsc1)C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012818501 210015569 /nfs/dbraw/zinc/01/55/69/210015569.db2.gz GAQJGEGQPKDIDT-UHFFFAOYSA-N 1 0 385.533 2.735 50 0 GFAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccc(Br)cc2)CC1 ZINC000002194960 209350090 /nfs/dbraw/zinc/35/00/90/209350090.db2.gz CECIMEPAGXZGOA-UHFFFAOYSA-N 1 0 380.330 2.755 50 0 GFAARO COc1ccc(Cl)cc1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000009875279 209319957 /nfs/dbraw/zinc/31/99/57/209319957.db2.gz UKPRWQGEKGZONK-UHFFFAOYSA-N 1 0 394.903 2.686 50 0 GFAARO CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000001019443 209289358 /nfs/dbraw/zinc/28/93/58/209289358.db2.gz SLRNTUZAHJZDTR-SFHVURJKSA-N 1 0 389.521 2.647 50 0 GFAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000000795511 209265397 /nfs/dbraw/zinc/26/53/97/209265397.db2.gz KYUQQMWSCVAJQU-UHFFFAOYSA-N 1 0 388.508 2.709 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252511249 209218390 /nfs/dbraw/zinc/21/83/90/209218390.db2.gz FIYSNFKLNQPDMP-FHWLQOOXSA-N 1 0 396.535 2.803 50 0 GFAARO COCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCc1ccccc1)C3 ZINC000299778874 212034666 /nfs/dbraw/zinc/03/46/66/212034666.db2.gz OZWXCDHJFOZXDV-MRXNPFEDSA-N 1 0 383.517 2.794 50 0 GFAARO CCC(CC)[NH2+][C@H]1C[C@@H](C(=O)NCCOC)N(Cc2ccccc2Cl)C1 ZINC000299784345 212036749 /nfs/dbraw/zinc/03/67/49/212036749.db2.gz XKFVIIYXRXHJEP-HKUYNNGSSA-N 1 0 381.948 2.824 50 0 GFAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000299756726 212031974 /nfs/dbraw/zinc/03/19/74/212031974.db2.gz DXYRZRPCEWHHRI-CQSZACIVSA-N 1 0 386.418 2.616 50 0 GFAARO CN1CC[N@H+](CCCNC(=O)c2ccc3c(c2)CCO3)[C@@H](c2ccccc2)C1 ZINC000033136145 209138620 /nfs/dbraw/zinc/13/86/20/209138620.db2.gz OOTZTLCYFXXVOL-OAQYLSRUSA-N 1 0 379.504 2.730 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1OCc1ccccc1F ZINC000215632911 211740114 /nfs/dbraw/zinc/74/01/14/211740114.db2.gz YKKWWDKIDWPDTM-OAQYLSRUSA-N 1 0 375.440 2.733 50 0 GFAARO CNC(=O)CCc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000097743606 211371509 /nfs/dbraw/zinc/37/15/09/211371509.db2.gz VWQYNWKGMWTFAT-FQEVSTJZSA-N 1 0 380.492 2.761 50 0 GFAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)c3ccccc3-c3nc[nH]n3)O2)CC1 ZINC000097578999 211368017 /nfs/dbraw/zinc/36/80/17/211368017.db2.gz XCEDMLKLKNVNKL-MRXNPFEDSA-N 1 0 383.496 2.624 50 0 GFAARO O=C(c1ccon1)N1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](CO)C1 ZINC000097307515 211361690 /nfs/dbraw/zinc/36/16/90/211361690.db2.gz TVFSVRFIFJVIMR-KRWDZBQOSA-N 1 0 387.455 2.551 50 0 GFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000096162366 211313537 /nfs/dbraw/zinc/31/35/37/211313537.db2.gz NXPZHCDUCUYUKJ-FQEVSTJZSA-N 1 0 383.536 2.727 50 0 GFAARO COc1ccc(C(=O)N2CCCOCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095518587 211263996 /nfs/dbraw/zinc/26/39/96/211263996.db2.gz UVCQIWBNZPLYHV-UHFFFAOYSA-N 1 0 376.497 2.809 50 0 GFAARO C[NH2+][C@@H](C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000095510807 211262356 /nfs/dbraw/zinc/26/23/56/211262356.db2.gz MXRRDHHHXQGXEU-OAQYLSRUSA-N 1 0 389.503 2.993 50 0 GFAARO CC(C)C(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095508200 211259772 /nfs/dbraw/zinc/25/97/72/211259772.db2.gz AIUSQZSGTAPERS-UHFFFAOYSA-N 1 0 395.931 2.657 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000095502394 211255055 /nfs/dbraw/zinc/25/50/55/211255055.db2.gz WLUDZIZORFVHTJ-IBGZPJMESA-N 1 0 387.524 2.625 50 0 GFAARO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)n(-c2ccc(C)cc2)n1 ZINC000095446635 211240994 /nfs/dbraw/zinc/24/09/94/211240994.db2.gz XAFJOGWRKYZJSX-KRWDZBQOSA-N 1 0 397.523 2.666 50 0 GFAARO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1NCc1cccnc1 ZINC000095448249 211241463 /nfs/dbraw/zinc/24/14/63/211241463.db2.gz ZDLHWULRGDDJCX-LJQANCHMSA-N 1 0 382.508 2.660 50 0 GFAARO Cc1nc(C)c(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)s1 ZINC000095360975 211223339 /nfs/dbraw/zinc/22/33/39/211223339.db2.gz GMJZVMUHUHKVFI-UHFFFAOYSA-N 1 0 375.542 2.928 50 0 GFAARO O=C(CC(F)(F)F)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095356354 211222356 /nfs/dbraw/zinc/22/23/56/211222356.db2.gz SSJUSENYCUEXDD-MORSLUCNSA-N 1 0 382.382 2.756 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2c(Cl)cnn2C)C3)cc1 ZINC000095385892 211234331 /nfs/dbraw/zinc/23/43/31/211234331.db2.gz WLYWLBGZHFWXNT-JKSUJKDBSA-N 1 0 388.899 2.819 50 0 GFAARO Cn1c(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cc2ccccc21 ZINC000095388356 211233973 /nfs/dbraw/zinc/23/39/73/211233973.db2.gz JQGLOBCNMSJMML-GOSISDBHSA-N 1 0 389.507 2.931 50 0 GFAARO CNc1ncc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095379198 211232204 /nfs/dbraw/zinc/23/22/04/211232204.db2.gz VFWLVRWPVKKRFA-XUVXKRRUSA-N 1 0 377.492 2.529 50 0 GFAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(F)c1F)CC2 ZINC000095372616 211228832 /nfs/dbraw/zinc/22/88/32/211228832.db2.gz ROWXALUVWNCNGN-UHFFFAOYSA-N 1 0 393.478 2.761 50 0 GFAARO CNc1cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095363850 211226481 /nfs/dbraw/zinc/22/64/81/211226481.db2.gz CEGZJOSWOALEDJ-KSEOMHKRSA-N 1 0 392.503 2.834 50 0 GFAARO Cc1ncsc1CN1C(=O)N(CCc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000095362365 211225066 /nfs/dbraw/zinc/22/50/66/211225066.db2.gz VRPRAIXHWMVBEB-UHFFFAOYSA-N 1 0 384.505 2.581 50 0 GFAARO OCCC[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC[C@@H]1[NH+]1CCOCC1 ZINC000091966569 211212850 /nfs/dbraw/zinc/21/28/50/211212850.db2.gz FMLYUUSZOYHYTB-KDOFPFPSSA-N 1 0 388.339 2.684 50 0 GFAARO Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c[nH]1 ZINC000091665157 211201524 /nfs/dbraw/zinc/20/15/24/211201524.db2.gz KKUZUEAKUSLDCB-VQTJNVASSA-N 1 0 379.504 2.853 50 0 GFAARO CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)[N@H+](C)CC ZINC000091390913 211190170 /nfs/dbraw/zinc/19/01/70/211190170.db2.gz ZEECIHBFXJRBBE-IBGZPJMESA-N 1 0 386.540 2.543 50 0 GFAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)cc2C1 ZINC000091255832 211187067 /nfs/dbraw/zinc/18/70/67/211187067.db2.gz FFHPLHCTBYIPRQ-UHFFFAOYSA-N 1 0 378.480 2.675 50 0 GFAARO CN(C(=O)C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1)[C@@H]1CCCc2ccccc21 ZINC000089756779 211183815 /nfs/dbraw/zinc/18/38/15/211183815.db2.gz YRYGUFFTUALDGA-DWLFOUALSA-N 1 0 396.535 2.702 50 0 GFAARO CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1)[C@@H]1CCCc2ccccc21 ZINC000089756778 211183224 /nfs/dbraw/zinc/18/32/24/211183224.db2.gz YRYGUFFTUALDGA-CZTZKLFOSA-N 1 0 396.535 2.702 50 0 GFAARO C[C@H](C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1)[NH+]1CCCC1 ZINC000091547238 211193968 /nfs/dbraw/zinc/19/39/68/211193968.db2.gz DFFWEXFNVUFHKC-HXUWFJFHSA-N 1 0 397.563 2.945 50 0 GFAARO CCNC(=O)c1ccc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)nc1 ZINC000091461898 211192751 /nfs/dbraw/zinc/19/27/51/211192751.db2.gz GZJJAWSMBGTTGS-UHFFFAOYSA-N 1 0 382.512 2.788 50 0 GFAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C[C@H](C)O1 ZINC000072422192 211115951 /nfs/dbraw/zinc/11/59/51/211115951.db2.gz BDRNMFXXNJARPP-CALCHBBNSA-N 1 0 385.508 2.527 50 0 GFAARO CC(C)n1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072150427 211075806 /nfs/dbraw/zinc/07/58/06/211075806.db2.gz FDUHBDRCOZJIIF-PWRODBHTSA-N 1 0 380.492 2.872 50 0 GFAARO OC[C@@]12CCC[C@@H]1CN(c1nc(-c3c[nH]c4ccccc43)nc3c1C[NH2+]C3)C2 ZINC000072163159 211080798 /nfs/dbraw/zinc/08/07/98/211080798.db2.gz GCDCUJBZLLUJGT-PEBXRYMYSA-N 1 0 375.476 2.827 50 0 GFAARO CSc1ccccc1C[N@@H+]1CCC[C@](O)(CNC(=O)N2CCCC2)CC1 ZINC000072137049 211073657 /nfs/dbraw/zinc/07/36/57/211073657.db2.gz IEDSZPGWOMDJHR-HXUWFJFHSA-N 1 0 377.554 2.931 50 0 GFAARO O=C(Cc1ccc(CO)cc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071745625 211053780 /nfs/dbraw/zinc/05/37/80/211053780.db2.gz PSFKVURVOBMRPD-GMKZXUHWSA-N 1 0 376.500 2.810 50 0 GFAARO COc1ccccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071747999 211053355 /nfs/dbraw/zinc/05/33/55/211053355.db2.gz KWQUUFRWOIWKAR-GOSISDBHSA-N 1 0 399.535 2.634 50 0 GFAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746003 211052978 /nfs/dbraw/zinc/05/29/78/211052978.db2.gz WFTCGEDGYXGQOL-LJQANCHMSA-N 1 0 386.540 2.591 50 0 GFAARO CN1c2ccccc2[C@@](CCC(=O)NC2CC[NH2+]CC2)(Cc2ccccc2)C1=O ZINC000071751374 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381.520 2.774 50 0 GFAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cnc2c(c1)CCC2 ZINC000067688570 211017586 /nfs/dbraw/zinc/01/75/86/211017586.db2.gz WPUFAWHJPYSWEO-XMMPIXPASA-N 1 0 393.531 2.646 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)CC[NH+]3CCCC3)C2=O)cc1 ZINC000067713609 211017384 /nfs/dbraw/zinc/01/73/84/211017384.db2.gz RWAAAFDHJXSTIC-HSZRJFAPSA-N 1 0 387.568 2.691 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC(C)(C)CC3)C2=O)c1 ZINC000067642450 211012141 /nfs/dbraw/zinc/01/21/41/211012141.db2.gz QRNQUGCTFRXXHQ-NRFANRHFSA-N 1 0 378.488 2.810 50 0 GFAARO COc1cc(/C=C\C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000041865200 210801142 /nfs/dbraw/zinc/80/11/42/210801142.db2.gz MGRPKLNOCNAVNK-CMKSSICZSA-N 1 0 376.497 2.721 50 0 GFAARO COc1ccc2c(ccn2CC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)c1 ZINC000020723015 210357852 /nfs/dbraw/zinc/35/78/52/210357852.db2.gz JWANMNWDHWXFRL-UHFFFAOYSA-N 1 0 398.551 2.716 50 0 GFAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000020542494 210346380 /nfs/dbraw/zinc/34/63/80/210346380.db2.gz OCFDANAKTIQXDI-HSZRJFAPSA-N 1 0 399.579 2.701 50 0 GFAARO Cc1c(C(=O)N2CCO[C@H](C[NH3+])C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000020209613 210320991 /nfs/dbraw/zinc/32/09/91/210320991.db2.gz PVUZUGGKHQCDNH-LJQANCHMSA-N 1 0 376.460 2.647 50 0 GFAARO CC(=O)N1CCC(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000011932767 221137698 /nfs/dbraw/zinc/13/76/98/221137698.db2.gz VAUBCYFCZHBHTF-NRFANRHFSA-N 1 0 385.552 2.658 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023590 136158621 /nfs/dbraw/zinc/15/86/21/136158621.db2.gz DODUGVDKRZOJQI-SFHVURJKSA-N 1 0 399.514 2.957 50 0 GFAARO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000065362835 136163445 /nfs/dbraw/zinc/16/34/45/136163445.db2.gz XFSICWDVSZPQKR-UHFFFAOYSA-N 1 0 384.484 2.522 50 0 GFAARO c1cc2nc(-c3ccccc3)cc(N3CCN(CC[NH+]4CCCC4)CC3)n2n1 ZINC000072162107 136167163 /nfs/dbraw/zinc/16/71/63/136167163.db2.gz XKYWILYMMODZOI-UHFFFAOYSA-N 1 0 376.508 2.614 50 0 GFAARO Fc1cnc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc1N1CCOCC1 ZINC000072470610 136171159 /nfs/dbraw/zinc/17/11/59/136171159.db2.gz YQNYADCNVJISKG-QGZVFWFLSA-N 1 0 377.508 2.909 50 0 GFAARO Cc1cc(N2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)nc(N)[nH+]1 ZINC000092022351 136177418 /nfs/dbraw/zinc/17/74/18/136177418.db2.gz LVGUEFBWQDBHQW-UHFFFAOYSA-N 1 0 387.434 2.665 50 0 GFAARO CNc1nc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)cc(C)[nH+]1 ZINC000092038575 136177665 /nfs/dbraw/zinc/17/76/65/136177665.db2.gz QOANZSYSETYFBH-INIZCTEOSA-N 1 0 397.527 2.703 50 0 GFAARO CCc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000096121061 136183851 /nfs/dbraw/zinc/18/38/51/136183851.db2.gz VSHAUNVAEBUXSD-UHFFFAOYSA-N 1 0 380.496 2.993 50 0 GFAARO Cc1cccc2cc(CO)c(N3CCC([C@H](C)[NH+]4CCN(C)CC4)CC3)nc12 ZINC000096137544 136184120 /nfs/dbraw/zinc/18/41/20/136184120.db2.gz MPSQOOUGSGMHOG-SFHVURJKSA-N 1 0 382.552 2.888 50 0 GFAARO CCc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012069446 136199980 /nfs/dbraw/zinc/19/99/80/136199980.db2.gz MGIPHNZNBGXTFK-UHFFFAOYSA-N 1 0 394.519 2.516 50 0 GFAARO O=C(c1ccc(-c2cccc(=O)[nH]2)cc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000426728088 534679399 /nfs/dbraw/zinc/67/93/99/534679399.db2.gz AAGBFOHSAGXZMJ-LJQANCHMSA-N 1 0 381.476 2.781 50 0 GFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C1 ZINC000246900148 527814000 /nfs/dbraw/zinc/81/40/00/527814000.db2.gz KEOPJKMORRQBPG-FNHZYXHNSA-N 1 0 377.916 2.660 50 0 GFAARO CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426412280 529120408 /nfs/dbraw/zinc/12/04/08/529120408.db2.gz MJQKEBLVKWLLOX-OAQYLSRUSA-N 1 0 393.478 2.694 50 0 GFAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C=C12 ZINC000061999322 535241747 /nfs/dbraw/zinc/24/17/47/535241747.db2.gz OIVSDSZMJGFJMJ-IVKZONNUSA-N 1 0 394.519 2.833 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)[C@H]1C[NH3+] ZINC000156631700 551526140 /nfs/dbraw/zinc/52/61/40/551526140.db2.gz HGCRYQGRVRAIPS-HIFRSBDPSA-N 1 0 378.519 2.780 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000237478502 553078151 /nfs/dbraw/zinc/07/81/51/553078151.db2.gz FGLUKKMWZYHERX-VHSXEESVSA-N 1 0 381.723 2.850 50 0 GFAARO Cc1sc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc1-c1ccc(Br)cc1 ZINC000299749829 563390531 /nfs/dbraw/zinc/39/05/31/563390531.db2.gz LUYSZFIBHIOCGD-NEPJUHHUSA-N 1 0 382.283 2.542 50 0 GFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1ccc(F)cc1 ZINC000011615993 570236477 /nfs/dbraw/zinc/23/64/77/570236477.db2.gz FBLBMFGSSLYNBL-UHFFFAOYSA-N 1 0 394.454 2.719 50 0 GFAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nnn1-c1ccccc1F ZINC000011616004 570236588 /nfs/dbraw/zinc/23/65/88/570236588.db2.gz BEPFFXYAKRBSLZ-UHFFFAOYSA-N 1 0 394.454 2.719 50 0 GFAARO Cc1ccc2nc(C)c(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2c1 ZINC000048354220 570241662 /nfs/dbraw/zinc/24/16/62/570241662.db2.gz AKNQIYQGPLZXPC-UHFFFAOYSA-N 1 0 389.503 2.928 50 0 GFAARO CCOc1cccc(CN2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)c1 ZINC000015779446 570243724 /nfs/dbraw/zinc/24/37/24/570243724.db2.gz WORJNCFNWNRCLU-UHFFFAOYSA-N 1 0 381.524 2.576 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000048355683 570243965 /nfs/dbraw/zinc/24/39/65/570243965.db2.gz KVFDSAKGIBYHST-INIZCTEOSA-N 1 0 377.554 2.981 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2CCSC2=O)C1 ZINC000048373980 570248718 /nfs/dbraw/zinc/24/87/18/570248718.db2.gz FLRKUFYSMTYWDT-HZPDHXFCSA-N 1 0 375.538 2.950 50 0 GFAARO C[NH+]1CCN(c2cc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)CC1 ZINC000048374570 570249525 /nfs/dbraw/zinc/24/95/25/570249525.db2.gz LWWXANFJXUSYMM-UHFFFAOYSA-N 1 0 383.883 2.898 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)CC1 ZINC000104629317 570260226 /nfs/dbraw/zinc/26/02/26/570260226.db2.gz UVSQEFISMDOTDA-LJQANCHMSA-N 1 0 395.975 2.787 50 0 GFAARO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C ZINC000071890362 570275313 /nfs/dbraw/zinc/27/53/13/570275313.db2.gz MYZSEWOTIACDRJ-OAHLLOKOSA-N 1 0 397.523 2.641 50 0 GFAARO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000248723723 570291157 /nfs/dbraw/zinc/29/11/57/570291157.db2.gz MPJJUHGQDOUXGF-OAGGEKHMSA-N 1 0 393.532 2.680 50 0 GFAARO CC1CCN(C(=O)COc2ccc(CN3C[C@H]4CC[C@@H](C3)[N@H+](C)C4)cc2)CC1 ZINC000216346199 570299363 /nfs/dbraw/zinc/29/93/63/570299363.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 1 0 385.552 2.850 50 0 GFAARO COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000033402690 570307352 /nfs/dbraw/zinc/30/73/52/570307352.db2.gz DGGVEHMWNAHTIB-HXUWFJFHSA-N 1 0 395.434 2.665 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)CCNC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000022684622 570324628 /nfs/dbraw/zinc/32/46/28/570324628.db2.gz KIUDELITSDZDDM-OAQYLSRUSA-N 1 0 396.535 2.857 50 0 GFAARO c1cc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851588 570331716 /nfs/dbraw/zinc/33/17/16/570331716.db2.gz CBWPKQRMQGJTMP-NRFANRHFSA-N 1 0 394.519 2.593 50 0 GFAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936351 570338741 /nfs/dbraw/zinc/33/87/41/570338741.db2.gz WOGCOKKCXWCFLL-SFHVURJKSA-N 1 0 391.556 2.953 50 0 GFAARO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCCc4ccccc4)CC3)C2=O)cc1 ZINC000022972165 570339557 /nfs/dbraw/zinc/33/95/57/570339557.db2.gz RZPHORQUHOIJAY-JOCHJYFZSA-N 1 0 391.515 2.877 50 0 GFAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCN(Cc1cccc(-c3ccco3)c1)C2 ZINC000219182708 570348897 /nfs/dbraw/zinc/34/88/97/570348897.db2.gz QTYOEDVVZVVIAV-JOCHJYFZSA-N 1 0 389.459 2.974 50 0 GFAARO COc1cccc(N2CCC([N@@H+]3CCC[C@H](N4CCC(CO)CC4)C3)CC2)c1 ZINC000023374534 570358473 /nfs/dbraw/zinc/35/84/73/570358473.db2.gz IXQMMZHSJRRFCV-QFIPXVFZSA-N 1 0 387.568 2.833 50 0 GFAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc(OC)c1OC ZINC000004745196 570401814 /nfs/dbraw/zinc/40/18/14/570401814.db2.gz RZYNIPPEJBIZJE-QGZVFWFLSA-N 1 0 376.497 2.937 50 0 GFAARO CCOc1ccccc1[C@@](N)(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C(F)(F)F ZINC000221896740 570402953 /nfs/dbraw/zinc/40/29/53/570402953.db2.gz DDXAFYPESUOTGV-RDTXWAMCSA-N 1 0 387.446 2.650 50 0 GFAARO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025631157 570417404 /nfs/dbraw/zinc/41/74/04/570417404.db2.gz MCWTZNGPKOMEAD-INIZCTEOSA-N 1 0 396.487 2.840 50 0 GFAARO Cc1cccc2c1ncn(CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c2=O ZINC000027150618 570432161 /nfs/dbraw/zinc/43/21/61/570432161.db2.gz AMUQMCLKMCVSKE-FQEVSTJZSA-N 1 0 392.503 2.904 50 0 GFAARO CCC[N@H+](CC1CC1)CN1C(=O)C(=Cc2coc3ccccc3c2=O)NC1=S ZINC000005642877 570449920 /nfs/dbraw/zinc/44/99/20/570449920.db2.gz BMEHDGZTDOGKTP-YVLHZVERSA-N 1 0 397.500 2.930 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000156813376 570459947 /nfs/dbraw/zinc/45/99/47/570459947.db2.gz HMBYRNYOSSYKBC-OXQOHEQNSA-N 1 0 386.517 2.860 50 0 GFAARO CC[C@H](C(=O)N1C[C@H](OC)C[C@H]1c1nc(-c2cccnc2)c[nH]1)[NH+](CC)CC ZINC000253370529 570482685 /nfs/dbraw/zinc/48/26/85/570482685.db2.gz SAISANLBZVYLDZ-QRQLOZEOSA-N 1 0 385.512 2.881 50 0 GFAARO COc1ccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096087 570533830 /nfs/dbraw/zinc/53/38/30/570533830.db2.gz BLGYYDZTZGPETQ-MSOLQXFVSA-N 1 0 381.513 2.861 50 0 GFAARO Cc1ccc(-c2nc3cnccn3c2NCCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000064758772 570536131 /nfs/dbraw/zinc/53/61/31/570536131.db2.gz BXKNETFSVIYDFB-UHFFFAOYSA-N 1 0 392.507 2.717 50 0 GFAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCN1CCCCO1 ZINC000011661739 570576921 /nfs/dbraw/zinc/57/69/21/570576921.db2.gz WCKASUVLCJBJPZ-UHFFFAOYSA-N 1 0 391.531 2.956 50 0 GFAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCn1cncn1 ZINC000011843568 570587626 /nfs/dbraw/zinc/58/76/26/570587626.db2.gz OADUESSKJLBWDQ-GOSISDBHSA-N 1 0 389.931 2.735 50 0 GFAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000039551467 570593457 /nfs/dbraw/zinc/59/34/57/570593457.db2.gz NDEYEEPNAVLILT-HXUWFJFHSA-N 1 0 395.551 2.639 50 0 GFAARO Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012031204 570599879 /nfs/dbraw/zinc/59/98/79/570599879.db2.gz YLPRQGUQCINMJU-ZDUSSCGKSA-N 1 0 391.541 2.661 50 0 GFAARO O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012050698 570601159 /nfs/dbraw/zinc/60/11/59/570601159.db2.gz RNLILUXWTYJJRT-IBGZPJMESA-N 1 0 393.487 2.808 50 0 GFAARO CCc1c(C(=O)NCc2ccccn2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000012053815 570601661 /nfs/dbraw/zinc/60/16/61/570601661.db2.gz HIDWYGJDICJYKE-UHFFFAOYSA-N 1 0 382.508 2.530 50 0 GFAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000012112240 570608598 /nfs/dbraw/zinc/60/85/98/570608598.db2.gz ABUFISBHKQXEIP-UHFFFAOYSA-N 1 0 391.462 2.560 50 0 GFAARO CC[NH+]1CCN(CCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000064967968 570618958 /nfs/dbraw/zinc/61/89/58/570618958.db2.gz RPQROBMFOHNUSX-UHFFFAOYSA-N 1 0 392.503 2.786 50 0 GFAARO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)CC)CC2)c1Cc1ccc(F)cc1 ZINC000036340784 570624763 /nfs/dbraw/zinc/62/47/63/570624763.db2.gz GSRAFYWRABEVFF-LJQANCHMSA-N 1 0 386.515 2.970 50 0 GFAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000012297207 570634286 /nfs/dbraw/zinc/63/42/86/570634286.db2.gz KLNJGSBACBNOKN-UHFFFAOYSA-N 1 0 394.479 2.715 50 0 GFAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCn1cccn1 ZINC000012305595 570638841 /nfs/dbraw/zinc/63/88/41/570638841.db2.gz JSIFRYGOPOKALU-UHFFFAOYSA-N 1 0 380.496 2.645 50 0 GFAARO CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000012379733 570649434 /nfs/dbraw/zinc/64/94/34/570649434.db2.gz CYBPMHHQQKIFIB-UHFFFAOYSA-N 1 0 377.492 2.896 50 0 GFAARO Cc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000033024223 570652816 /nfs/dbraw/zinc/65/28/16/570652816.db2.gz DCHLYIOXEMYIFN-LJQANCHMSA-N 1 0 383.492 2.970 50 0 GFAARO CCC[NH+]1CCN(C(=O)Cn2cccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000065035644 570653807 /nfs/dbraw/zinc/65/38/07/570653807.db2.gz JBVZSCPJCYHHCE-UHFFFAOYSA-N 1 0 379.464 2.759 50 0 GFAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)C2)C1 ZINC000012429869 570658576 /nfs/dbraw/zinc/65/85/76/570658576.db2.gz FGNXCMXCVOPSKI-FQEVSTJZSA-N 1 0 387.915 2.928 50 0 GFAARO CN(C(=O)CCN1CCCCCC1=O)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012432118 570660254 /nfs/dbraw/zinc/66/02/54/570660254.db2.gz XLOMYWFHHCLBBM-NRFANRHFSA-N 1 0 397.563 2.869 50 0 GFAARO COc1ccc(CCN2C[C@@H]([NH2+]Cc3ccc(-n4cccn4)cc3)CC2=O)cc1 ZINC000012454228 570668695 /nfs/dbraw/zinc/66/86/95/570668695.db2.gz AZBNKIPIRWWEHH-FQEVSTJZSA-N 1 0 390.487 2.814 50 0 GFAARO O=C(N[C@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000237867331 570678840 /nfs/dbraw/zinc/67/88/40/570678840.db2.gz JBEAIKPIANFEHD-LJQANCHMSA-N 1 0 385.895 2.549 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCc3cnccn3)C2)cc1 ZINC000012585554 570684977 /nfs/dbraw/zinc/68/49/77/570684977.db2.gz AJWIECVXCOLDQD-HXUWFJFHSA-N 1 0 396.535 2.831 50 0 GFAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000243901519 570692095 /nfs/dbraw/zinc/69/20/95/570692095.db2.gz BCCAXZCOXCBVHN-OAHLLOKOSA-N 1 0 376.888 2.800 50 0 GFAARO O=C(CCNC(=O)c1ccccc1F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000055359337 570692261 /nfs/dbraw/zinc/69/22/61/570692261.db2.gz YEVWBKIRTKAKAG-KRWDZBQOSA-N 1 0 375.488 2.813 50 0 GFAARO COCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055385264 570693974 /nfs/dbraw/zinc/69/39/74/570693974.db2.gz SCSYVCKGVWLWES-SFHVURJKSA-N 1 0 399.457 2.855 50 0 GFAARO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000058162145 570713067 /nfs/dbraw/zinc/71/30/67/570713067.db2.gz UNHQPLLTWZDPEV-CYBMUJFWSA-N 1 0 375.332 2.768 50 0 GFAARO CCn1c(CN2CCC(C(=O)N3CC[NH+](C(C)C)CC3)CC2)nc2ccccc21 ZINC000248036172 570720250 /nfs/dbraw/zinc/72/02/50/570720250.db2.gz YZMAKAQUMSJHQS-UHFFFAOYSA-N 1 0 397.567 2.821 50 0 GFAARO COc1cc(NC2CC[NH+](CCn3c(=O)oc4cccnc43)CC2)cc(OC)c1 ZINC000180601718 570721087 /nfs/dbraw/zinc/72/10/87/570721087.db2.gz FXUZVEFYLKBPTA-UHFFFAOYSA-N 1 0 398.463 2.583 50 0 GFAARO COc1ccc(CC(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000058434945 570733650 /nfs/dbraw/zinc/73/36/50/570733650.db2.gz ZWEQGMIMRPJVFQ-SFHVURJKSA-N 1 0 381.476 2.574 50 0 GFAARO CCCC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3C)CC2)CC1 ZINC000253612896 570735639 /nfs/dbraw/zinc/73/56/39/570735639.db2.gz IMBAUNPZFJDNFQ-UHFFFAOYSA-N 1 0 397.567 2.730 50 0 GFAARO FC(F)(F)c1nnc(N2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)s1 ZINC000063855270 570751130 /nfs/dbraw/zinc/75/11/30/570751130.db2.gz BBFHDIWRTHAGQG-UONOGXRCSA-N 1 0 389.491 2.943 50 0 GFAARO O=C(NCCc1cccnc1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255935 570754572 /nfs/dbraw/zinc/75/45/72/570754572.db2.gz YLCZQKFBBMELMR-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO Cc1scc2nc(C(=O)NCCC[NH+]3CCC(C)CC3)nc(N(C)C)c12 ZINC000065283496 570780593 /nfs/dbraw/zinc/78/05/93/570780593.db2.gz WICPMBHHCZQUEW-UHFFFAOYSA-N 1 0 375.542 2.918 50 0 GFAARO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000015144322 570782407 /nfs/dbraw/zinc/78/24/07/570782407.db2.gz GVFBAQZKFLLBBB-CQSZACIVSA-N 1 0 399.447 2.635 50 0 GFAARO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000032753244 570795999 /nfs/dbraw/zinc/79/59/99/570795999.db2.gz KTDNTHQFZHLDHB-UHFFFAOYSA-N 1 0 379.460 2.591 50 0 GFAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1cc(OC)no1 ZINC000583647589 570804043 /nfs/dbraw/zinc/80/40/43/570804043.db2.gz NDOVSJSFJUILLN-MJGOQNOKSA-N 1 0 393.528 2.745 50 0 GFAARO O=C(C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)NCCc1ccc(F)cc1 ZINC000065495944 570826243 /nfs/dbraw/zinc/82/62/43/570826243.db2.gz UWYZVRVJIPYBFY-UHFFFAOYSA-N 1 0 389.515 2.645 50 0 GFAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ncc(Br)cn2n1 ZINC000004689289 570834977 /nfs/dbraw/zinc/83/49/77/570834977.db2.gz JHZKYSMXDNEOKP-SWLSCSKDSA-N 1 0 393.285 2.913 50 0 GFAARO Cc1cc(C)n2ncc(C(=O)N[C@H](c3nccn3C)c3ccccc3F)c2n1 ZINC000012535313 570835082 /nfs/dbraw/zinc/83/50/82/570835082.db2.gz AEWVDOFEKVDICU-KRWDZBQOSA-N 1 0 378.411 2.738 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)N1CCC(O)(c2cccnc2)CC1)c1ccco1 ZINC000534578492 570901985 /nfs/dbraw/zinc/90/19/85/570901985.db2.gz BFWZXWUQHAEJGZ-GOSISDBHSA-N 1 0 386.496 2.751 50 0 GFAARO CCOc1ccccc1CN(C)C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1 ZINC000534589116 570905753 /nfs/dbraw/zinc/90/57/53/570905753.db2.gz GXTSRTDLJKOYIF-UHFFFAOYSA-N 1 0 388.556 2.787 50 0 GFAARO CC(C)[NH+]1CCN(c2nc3nn(C)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000037358608 570930135 /nfs/dbraw/zinc/93/01/35/570930135.db2.gz HHVIQQPNKIIINO-UHFFFAOYSA-N 1 0 385.903 2.796 50 0 GFAARO COc1cccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(C)c(N)c32)c1 ZINC000037360001 570949538 /nfs/dbraw/zinc/94/95/38/570949538.db2.gz YZMCMNWSWQSAJG-UHFFFAOYSA-N 1 0 381.484 2.519 50 0 GFAARO CC(C)c1ccc(C[NH+]2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)cc1 ZINC000012134905 570960076 /nfs/dbraw/zinc/96/00/76/570960076.db2.gz DUTANIUDSFPEPW-UHFFFAOYSA-N 1 0 397.523 2.711 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000106574018 570965562 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QQZBEEJJUXFTBE-IBGZPJMESA-N 1 0 377.579 2.745 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2Br)no1 ZINC000408519281 231049616 /nfs/dbraw/zinc/04/96/16/231049616.db2.gz IEXISOSNCUCJBU-LLVKDONJSA-N 1 0 394.269 2.758 50 0 GFAARO O[C@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc21 ZINC000019372177 210247036 /nfs/dbraw/zinc/24/70/36/210247036.db2.gz MXQRCYFAJZRXRA-HXUWFJFHSA-N 1 0 379.460 2.748 50 0 GFAARO CCc1oc(C(N)=O)cc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426505878 231231988 /nfs/dbraw/zinc/23/19/88/231231988.db2.gz RWNWKJPFWGTKKG-NBHGPNQESA-N 1 0 376.497 2.880 50 0 GFAARO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426536002 231236408 /nfs/dbraw/zinc/23/64/08/231236408.db2.gz ZFNWHGHHGNGMBU-OAHLLOKOSA-N 1 0 381.524 2.972 50 0 GFAARO COc1ccc(F)cc1-c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000426563066 231241214 /nfs/dbraw/zinc/24/12/14/231241214.db2.gz HCTFMUFNZOMYOL-MRXNPFEDSA-N 1 0 386.467 2.935 50 0 GFAARO NC(=O)c1cncc(N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426571675 231242712 /nfs/dbraw/zinc/24/27/12/231242712.db2.gz VJLUCVGTBBBESJ-QFIPXVFZSA-N 1 0 379.508 2.501 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)cc1C ZINC000019225294 210232898 /nfs/dbraw/zinc/23/28/98/210232898.db2.gz RMEGKWZPDHWEEL-IBGZPJMESA-N 1 0 396.491 2.609 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4OC)C3=O)c2c1 ZINC000018088218 210212533 /nfs/dbraw/zinc/21/25/33/210212533.db2.gz GGRLZSHZCKKBDQ-GOSISDBHSA-N 1 0 393.443 2.649 50 0 GFAARO CSc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317396 210210274 /nfs/dbraw/zinc/21/02/74/210210274.db2.gz TYSANUXIFDPRKO-UHFFFAOYSA-N 1 0 392.546 2.719 50 0 GFAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000017270640 210208475 /nfs/dbraw/zinc/20/84/75/210208475.db2.gz ZBXCCKVHFSRWPU-UHFFFAOYSA-N 1 0 397.523 2.992 50 0 GFAARO C[NH+]1CCN([C@H]2CCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000426690194 529776351 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NIFUQYWJDUVYRF-LJQANCHMSA-N 1 0 398.551 2.774 50 0 GFAARO COc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)cn2)cc1 ZINC000015080230 210152090 /nfs/dbraw/zinc/15/20/90/210152090.db2.gz XPAUEWGNKIOFHW-SFHVURJKSA-N 1 0 376.464 2.701 50 0 GFAARO COc1cc(C[C@H]2CC(C[NH+]3CCCCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015085878 210151932 /nfs/dbraw/zinc/15/19/32/210151932.db2.gz VNDUAOKBTMOHMM-INIZCTEOSA-N 1 0 376.453 2.996 50 0 GFAARO COc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)ccc1F ZINC000015074784 210150396 /nfs/dbraw/zinc/15/03/96/210150396.db2.gz XQHIILYAFGYIGV-QGZVFWFLSA-N 1 0 377.504 2.601 50 0 GFAARO Cc1ccccc1CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000015069309 210148836 /nfs/dbraw/zinc/14/88/36/210148836.db2.gz DHSCFKALVGEVRJ-LJQANCHMSA-N 1 0 383.536 2.519 50 0 GFAARO C[N@@H+]1CCCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1 ZINC000015002139 210142223 /nfs/dbraw/zinc/14/22/23/210142223.db2.gz AYWLPCHDQPQIEG-UHFFFAOYSA-N 1 0 392.463 2.577 50 0 GFAARO O=C(Cn1cccn1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000014977264 210139545 /nfs/dbraw/zinc/13/95/45/210139545.db2.gz XLIVCHMDDSXAGX-QGZVFWFLSA-N 1 0 388.462 2.922 50 0 GFAARO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014733469 210124262 /nfs/dbraw/zinc/12/42/62/210124262.db2.gz FZWHWFJUVKKNMW-GOSISDBHSA-N 1 0 398.576 2.819 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH2+]CCOC(C)C)C2 ZINC000014540525 210119184 /nfs/dbraw/zinc/11/91/84/210119184.db2.gz ZVXLFFFDYKEPCI-QGZVFWFLSA-N 1 0 388.512 2.640 50 0 GFAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NC(=O)NCc1ccco1 ZINC000012939217 210034375 /nfs/dbraw/zinc/03/43/75/210034375.db2.gz PYTLURHKDYUWSA-UHFFFAOYSA-N 1 0 399.447 2.779 50 0 GFAARO COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(OC)c1OC ZINC000012813040 210015859 /nfs/dbraw/zinc/01/58/59/210015859.db2.gz JVXSZKWNEOUWEF-MRXNPFEDSA-N 1 0 376.428 2.884 50 0 GFAARO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000012766808 210005832 /nfs/dbraw/zinc/00/58/32/210005832.db2.gz FNGWZQVMJDSXIZ-UHFFFAOYSA-N 1 0 397.431 2.649 50 0 GFAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc(OCC)c(CO)c2)CC1 ZINC000012386848 209946412 /nfs/dbraw/zinc/94/64/12/209946412.db2.gz YNFPCEIAAUKVNN-UHFFFAOYSA-N 1 0 379.497 2.759 50 0 GFAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000011753642 209881359 /nfs/dbraw/zinc/88/13/59/209881359.db2.gz JPPGWFGJOVWPJV-UHFFFAOYSA-N 1 0 398.507 2.673 50 0 GFAARO O=C(Cn1cnc2ccccc2c1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009835233 209848409 /nfs/dbraw/zinc/84/84/09/209848409.db2.gz VCJSTPLGXTWYLD-UHFFFAOYSA-N 1 0 382.508 2.702 50 0 GFAARO O=C(c1cc(Br)ccc1OC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002789658 209385187 /nfs/dbraw/zinc/38/51/87/209385187.db2.gz QRYYYEGQDVYDTC-LLVKDONJSA-N 1 0 375.213 2.971 50 0 GFAARO Cc1ccc(-c2ccc(=O)n(CCC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2)cc1 ZINC000002941000 209399730 /nfs/dbraw/zinc/39/97/30/209399730.db2.gz BYESPMUCZOURPD-OALUTQOASA-N 1 0 396.535 2.988 50 0 GFAARO CCOc1ccc(N2C(=O)c3ccccc3/C(=C/NCC[NH+](C)C)C2=O)cc1 ZINC000102305206 209191129 /nfs/dbraw/zinc/19/11/29/209191129.db2.gz FEEBEIJKGSKJMM-HKWRFOASSA-N 1 0 379.460 2.764 50 0 GFAARO COCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000023127561 211786831 /nfs/dbraw/zinc/78/68/31/211786831.db2.gz NCORQLAYVWOJPB-UHFFFAOYSA-N 1 0 381.325 2.630 50 0 GFAARO CCc1csc([C@@H]2CCCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)n1 ZINC000237113948 211459410 /nfs/dbraw/zinc/45/94/10/211459410.db2.gz JRZNTAYLNSXLJP-CQSZACIVSA-N 1 0 388.541 2.550 50 0 GFAARO Cc1cc(C)n2ncc(C(=O)NCC[NH+]3CCC(c4ccccc4)CC3)c2n1 ZINC000097572237 211367836 /nfs/dbraw/zinc/36/78/36/211367836.db2.gz GAFJEMBVKJSRRY-UHFFFAOYSA-N 1 0 377.492 2.956 50 0 GFAARO CC(=O)N1CCc2[nH]c3ccc(C(=O)N4CC[NH+](C5CCCC5)CC4)cc3c2C1 ZINC000096363735 211336314 /nfs/dbraw/zinc/33/63/14/211336314.db2.gz DPOVHKMCEBPVRN-UHFFFAOYSA-N 1 0 394.519 2.773 50 0 GFAARO CCN1C(=O)Cc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000096386212 211338869 /nfs/dbraw/zinc/33/88/69/211338869.db2.gz CGJURWXEPKYFNC-UHFFFAOYSA-N 1 0 377.488 2.990 50 0 GFAARO CN(CCC[NH+]1CCCCCC1)C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000096163412 211314409 /nfs/dbraw/zinc/31/44/09/211314409.db2.gz DGAZYYXDNNEEFJ-UHFFFAOYSA-N 1 0 382.530 2.788 50 0 GFAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cncc(Cl)c2)CC1 ZINC000096132760 211304097 /nfs/dbraw/zinc/30/40/97/211304097.db2.gz PXVGTKBNQGNVGO-LJQANCHMSA-N 1 0 395.931 2.715 50 0 GFAARO Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)nnn1-c1cccc2cnccc21 ZINC000095954778 211286203 /nfs/dbraw/zinc/28/62/03/211286203.db2.gz NIALGTNTFRNORA-UHFFFAOYSA-N 1 0 378.480 2.728 50 0 GFAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2c(C)noc2C)CC1 ZINC000095524714 211270029 /nfs/dbraw/zinc/27/00/29/211270029.db2.gz UVWBLBXNZRYMHO-UHFFFAOYSA-N 1 0 386.496 2.687 50 0 GFAARO COCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511175 211262674 /nfs/dbraw/zinc/26/26/74/211262674.db2.gz XHOYGCURVJJWHA-LJQANCHMSA-N 1 0 378.488 2.692 50 0 GFAARO C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000095513252 211262306 /nfs/dbraw/zinc/26/23/06/211262306.db2.gz ONYSXBPQXPLEQQ-ZDUSSCGKSA-N 1 0 393.915 2.729 50 0 GFAARO O=C(NC[C@H]1CCC[N@H+](Cc2cnc(-c3ccco3)nc2)C1)c1cccnc1 ZINC000095501868 211254554 /nfs/dbraw/zinc/25/45/54/211254554.db2.gz IPGCNWHWOMYAIQ-MRXNPFEDSA-N 1 0 377.448 2.774 50 0 GFAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095498511 211252744 /nfs/dbraw/zinc/25/27/44/211252744.db2.gz RXXVEHVSDIVVII-INIZCTEOSA-N 1 0 382.493 2.752 50 0 GFAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095391691 211237362 /nfs/dbraw/zinc/23/73/62/211237362.db2.gz IBFSFLUMQGEIAM-SFHVURJKSA-N 1 0 377.448 2.871 50 0 GFAARO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095388615 211237368 /nfs/dbraw/zinc/23/73/68/211237368.db2.gz SFANMRCJHIMMAL-LJQANCHMSA-N 1 0 376.464 2.606 50 0 GFAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000095477172 211248298 /nfs/dbraw/zinc/24/82/98/211248298.db2.gz RAYFKMXRMOAQRG-JOCHJYFZSA-N 1 0 397.519 2.650 50 0 GFAARO COc1ccc([C@@H](CNC(=O)c2cc(OCC(F)F)ccn2)[NH+](C)C)cc1 ZINC000095465720 211245507 /nfs/dbraw/zinc/24/55/07/211245507.db2.gz XRPQCEURVBRAKG-QGZVFWFLSA-N 1 0 379.407 2.767 50 0 GFAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2ccc(C)n2)C3)cc1 ZINC000095360626 211223666 /nfs/dbraw/zinc/22/36/66/211223666.db2.gz XENAVCBBAZQZSO-VQTJNVASSA-N 1 0 382.508 2.713 50 0 GFAARO O=c1c2ccccc2cnn1CC[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095359349 211222760 /nfs/dbraw/zinc/22/27/60/211222760.db2.gz LLVMZQHQSCXMNR-UHFFFAOYSA-N 1 0 389.459 2.796 50 0 GFAARO CCN1CC[NH+](C[C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@@H]2CO)CC1 ZINC000095386380 211234025 /nfs/dbraw/zinc/23/40/25/211234025.db2.gz STCWQCBAUMCSBH-IAGOWNOFSA-N 1 0 386.367 2.671 50 0 GFAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccccc3Cl)no1)C2 ZINC000095374298 211229211 /nfs/dbraw/zinc/22/92/11/211229211.db2.gz NJWWAUHJRAKURV-LSDHHAIUSA-N 1 0 376.888 2.933 50 0 GFAARO O=C(c1cc(C2CC2)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095369848 211228517 /nfs/dbraw/zinc/22/85/17/211228517.db2.gz KIQHCVKKUNNLRI-HNAYVOBHSA-N 1 0 376.504 2.991 50 0 GFAARO Cc1nn(CCO)cc1CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095366969 211227651 /nfs/dbraw/zinc/22/76/51/211227651.db2.gz NSQIKMADRKUTBN-JTHBVZDNSA-N 1 0 382.552 2.713 50 0 GFAARO Cc1cc(=O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000095366279 211226225 /nfs/dbraw/zinc/22/62/25/211226225.db2.gz UBSGVOANXWUIGW-CEWLAPEOSA-N 1 0 381.451 2.525 50 0 GFAARO O=C(N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000092001896 211213228 /nfs/dbraw/zinc/21/32/28/211213228.db2.gz ZODQNVUEOKUBNP-IAGOWNOFSA-N 1 0 376.928 2.924 50 0 GFAARO C[C@H](C(=O)N1CCCC1)[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000091474581 211195265 /nfs/dbraw/zinc/19/52/65/211195265.db2.gz WAWADARTSBAUMZ-HXUWFJFHSA-N 1 0 397.563 2.945 50 0 GFAARO C[NH+](C)CCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](F)c1ccccc1)CC2 ZINC000091849210 211207087 /nfs/dbraw/zinc/20/70/87/211207087.db2.gz ATUNNWHZOPHHHK-FQEVSTJZSA-N 1 0 389.515 2.880 50 0 GFAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)c3ccc4c(c3)CCC4)C2)CCC1=O ZINC000091779201 211206606 /nfs/dbraw/zinc/20/66/06/211206606.db2.gz XBRUZLIRAVFBRP-QHCPKHFHSA-N 1 0 383.536 2.582 50 0 GFAARO O=C(c1nnc2n1CCCC2)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091381595 211190762 /nfs/dbraw/zinc/19/07/62/211190762.db2.gz GYXAOTOMIPSSCB-VQTJNVASSA-N 1 0 393.535 2.784 50 0 GFAARO O=C(Cc1ccccc1O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091526214 211194552 /nfs/dbraw/zinc/19/45/52/211194552.db2.gz SZEGURHEZHQBNN-UHFFFAOYSA-N 1 0 382.508 2.986 50 0 GFAARO CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cn1 ZINC000091494117 211194688 /nfs/dbraw/zinc/19/46/88/211194688.db2.gz GWVGNGJKWPNJFB-LJQANCHMSA-N 1 0 386.540 2.984 50 0 GFAARO CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O)C1CCCCC1 ZINC000091518576 211194290 /nfs/dbraw/zinc/19/42/90/211194290.db2.gz GYEVYALCYYBJHH-QFIPXVFZSA-N 1 0 375.557 2.892 50 0 GFAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@@H]4CCN(Cc5c[nH]cn5)[C@@H]4C3)c2)n1 ZINC000082107251 211161980 /nfs/dbraw/zinc/16/19/80/211161980.db2.gz ZQNSRPGHHIAYST-SIKLNZKXSA-N 1 0 376.508 2.919 50 0 GFAARO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc1F ZINC000082125841 211161169 /nfs/dbraw/zinc/16/11/69/211161169.db2.gz QFEAQSHVBRWYBA-OAQYLSRUSA-N 1 0 375.488 2.541 50 0 GFAARO O=C(CCn1cnc2ccccc21)N1C[C@@H]2CC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000082092144 211159189 /nfs/dbraw/zinc/15/91/89/211159189.db2.gz NKBCMFIWPWVCHF-GHTZIAJQSA-N 1 0 375.476 2.554 50 0 GFAARO C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000077358254 211131211 /nfs/dbraw/zinc/13/12/11/211131211.db2.gz UHHWNYKMCFKMOF-HNNXBMFYSA-N 1 0 376.460 2.837 50 0 GFAARO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)c1 ZINC000072433309 211118147 /nfs/dbraw/zinc/11/81/47/211118147.db2.gz PVEITTVUBUJPPQ-GHTZIAJQSA-N 1 0 382.508 2.864 50 0 GFAARO CCc1c(C)cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(=O)n1C ZINC000072144921 211075913 /nfs/dbraw/zinc/07/59/13/211075913.db2.gz YEOPWHWEVWGEEI-LJQANCHMSA-N 1 0 381.520 2.993 50 0 GFAARO Cc1cc(C)n(CCCN(C)c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)n1 ZINC000072158857 211078868 /nfs/dbraw/zinc/07/88/68/211078868.db2.gz GYZAYAFCVZKGER-UHFFFAOYSA-N 1 0 377.496 2.524 50 0 GFAARO CCn1cc(C[N@@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072151911 211078383 /nfs/dbraw/zinc/07/83/83/211078383.db2.gz XVFGTUHEGZOHBL-STZQEDGTSA-N 1 0 380.492 2.694 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCCCC[NH3+])CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121856 211070961 /nfs/dbraw/zinc/07/09/61/211070961.db2.gz ANLJPKKVDRFLNQ-IBGZPJMESA-N 1 0 377.504 2.930 50 0 GFAARO CNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000072143666 211075057 /nfs/dbraw/zinc/07/50/57/211075057.db2.gz DBFKWXUFQSKVOW-QGZVFWFLSA-N 1 0 393.553 2.512 50 0 GFAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1ccccc1CN1CCCC1=O ZINC000071844051 211064912 /nfs/dbraw/zinc/06/49/12/211064912.db2.gz UZLSYSCPTSUUAQ-QFIPXVFZSA-N 1 0 391.515 2.915 50 0 GFAARO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071765574 211059745 /nfs/dbraw/zinc/05/97/45/211059745.db2.gz HMENXBWBCFVHCZ-LJQANCHMSA-N 1 0 382.508 2.667 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000071746465 211054112 /nfs/dbraw/zinc/05/41/12/211054112.db2.gz PINRPRFYOVYWTH-KRWDZBQOSA-N 1 0 399.564 2.531 50 0 GFAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(c3nccs3)CC2)C1 ZINC000071735885 211052503 /nfs/dbraw/zinc/05/25/03/211052503.db2.gz QTLGBRBGBZYBPK-QGZVFWFLSA-N 1 0 385.537 2.535 50 0 GFAARO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+][C@@H](C)C1CCC1 ZINC000071750425 211056046 /nfs/dbraw/zinc/05/60/46/211056046.db2.gz LBTAHGDBZZSTMW-HNNXBMFYSA-N 1 0 380.492 2.962 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071498203 211049293 /nfs/dbraw/zinc/04/92/93/211049293.db2.gz ZGXYZJGDCPYBFU-IBGZPJMESA-N 1 0 382.508 2.516 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)Cc3ccsc3)C2=O)c1 ZINC000067974537 211031795 /nfs/dbraw/zinc/03/17/95/211031795.db2.gz QSSYXIQABBENID-FQEVSTJZSA-N 1 0 392.496 2.881 50 0 GFAARO COc1ccccc1-n1cc(C2=CC[N@H+](C[C@@H](C)N3CCOCC3)CC2)cn1 ZINC000067956021 211031742 /nfs/dbraw/zinc/03/17/42/211031742.db2.gz ZTNBQHMAOKKDDE-GOSISDBHSA-N 1 0 382.508 2.691 50 0 GFAARO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1C1Cc2ccccc2C1 ZINC000067974867 211030272 /nfs/dbraw/zinc/03/02/72/211030272.db2.gz ORGKEMRVBRQWFR-DEOSSOPVSA-N 1 0 389.499 2.687 50 0 GFAARO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067847248 211024193 /nfs/dbraw/zinc/02/41/93/211024193.db2.gz RVDSZJBVZWEUJY-UHFFFAOYSA-N 1 0 382.508 2.837 50 0 GFAARO Cc1nc2cc(OCc3nc(C(=O)N[C@H]4CCC[N@@H+](C)C4)co3)ccc2s1 ZINC000067869383 211026103 /nfs/dbraw/zinc/02/61/03/211026103.db2.gz XBUBRSPJZXNLDA-ZDUSSCGKSA-N 1 0 386.477 2.996 50 0 GFAARO CC(=O)NCC1CC[NH+](Cc2ccccc2-c2nc(CC(C)C)cc(=O)[nH]2)CC1 ZINC000067850943 211024600 /nfs/dbraw/zinc/02/46/00/211024600.db2.gz MNNOFPQGSZKOHZ-UHFFFAOYSA-N 1 0 396.535 2.984 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(C)cccc3C)CC2)C1 ZINC000067772872 211020649 /nfs/dbraw/zinc/02/06/49/211020649.db2.gz GZKGBPCQKADDCM-HXUWFJFHSA-N 1 0 387.568 2.742 50 0 GFAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000067723754 211019939 /nfs/dbraw/zinc/01/99/39/211019939.db2.gz NIEMRSZXDIYIAT-IBGZPJMESA-N 1 0 382.508 2.548 50 0 GFAARO Cc1nc(CN2C(=O)N[C@@](CCCc3ccccc3)(C3CC[NH2+]CC3)C2=O)co1 ZINC000067677628 211016111 /nfs/dbraw/zinc/01/61/11/211016111.db2.gz MDDQCYFORJBGNN-QFIPXVFZSA-N 1 0 396.491 2.796 50 0 GFAARO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]C2Cc3ccccc3C2)CC1 ZINC000023338611 210444095 /nfs/dbraw/zinc/44/40/95/210444095.db2.gz JVQUFTZZTJLFAC-OAQYLSRUSA-N 1 0 378.520 2.820 50 0 GFAARO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795058 210392770 /nfs/dbraw/zinc/39/27/70/210392770.db2.gz RBGPTAFCCWHXEH-UHFFFAOYSA-N 1 0 396.495 2.748 50 0 GFAARO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CCc1ccccc1 ZINC000020206484 210322697 /nfs/dbraw/zinc/32/26/97/210322697.db2.gz UHWOEHCIQOUCFD-HSZRJFAPSA-N 1 0 390.531 2.984 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000020209335 210320486 /nfs/dbraw/zinc/32/04/86/210320486.db2.gz ZWWMXKYZVONICI-SFHVURJKSA-N 1 0 381.511 2.706 50 0 GFAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000020100368 210316749 /nfs/dbraw/zinc/31/67/49/210316749.db2.gz CRXMSNXYSLARLN-UHFFFAOYSA-N 1 0 393.915 2.853 50 0 GFAARO CN1CC[NH+](CCC(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000019839039 210303157 /nfs/dbraw/zinc/30/31/57/210303157.db2.gz GJIPJHMBIAAZKX-GOSISDBHSA-N 1 0 379.495 2.774 50 0 GFAARO C[NH+]1CCN(CCOCCOc2ccc(Br)cc2Cl)CC1 ZINC000019792512 210297019 /nfs/dbraw/zinc/29/70/19/210297019.db2.gz QAPZAHBJVOOYBD-UHFFFAOYSA-N 1 0 377.710 2.745 50 0 GFAARO O=C(c1nc2ccccn2c1C[NH2+]Cc1ccc(Cl)s1)N1CCOCC1 ZINC000019789748 210295996 /nfs/dbraw/zinc/29/59/96/210295996.db2.gz JNGOTPXGQCGNGT-UHFFFAOYSA-N 1 0 390.896 2.811 50 0 GFAARO O=C(C1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000011933857 221138055 /nfs/dbraw/zinc/13/80/55/221138055.db2.gz AFEIQTWCTYKYAN-OAQYLSRUSA-N 1 0 395.547 2.684 50 0 GFAARO O=C(CC[NH2+]C1CCN(C(=O)c2ccco2)CC1)N1CCCc2ccccc21 ZINC000065435330 136164054 /nfs/dbraw/zinc/16/40/54/136164054.db2.gz HQUIRYUWHRLMSH-UHFFFAOYSA-N 1 0 381.476 2.843 50 0 GFAARO Cc1nn(C)c2nc(-c3ccncc3)nc(N3CC[NH2+][C@H](c4ccccc4)C3)c12 ZINC000072475051 136171365 /nfs/dbraw/zinc/17/13/65/136171365.db2.gz VBZCSZQBJYERIG-SFHVURJKSA-N 1 0 385.475 2.885 50 0 GFAARO C[C@@H](CNC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1)Oc1cccnc1 ZINC000426431393 533914586 /nfs/dbraw/zinc/91/45/86/533914586.db2.gz SPLTWLPJAOXSLN-KRWDZBQOSA-N 1 0 383.496 2.550 50 0 GFAARO CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000071745776 536473879 /nfs/dbraw/zinc/47/38/79/536473879.db2.gz DBUCHVDVGAZWHD-BGYRXZFFSA-N 1 0 387.487 2.843 50 0 GFAARO CC(C)[C@H](NC(=O)C[NH+]1[C@H](C)CC(O)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000241644365 529083483 /nfs/dbraw/zinc/08/34/83/529083483.db2.gz PQESKIOZKOMVCP-MCFFVMPBSA-N 1 0 390.524 2.895 50 0 GFAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC000426722697 529083915 /nfs/dbraw/zinc/08/39/15/529083915.db2.gz UBTHRANQTJFDAB-LJQANCHMSA-N 1 0 376.520 2.775 50 0 GFAARO CC(C)[C@H](NC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000241644367 529084136 /nfs/dbraw/zinc/08/41/36/529084136.db2.gz PQESKIOZKOMVCP-UTAOTPEMSA-N 1 0 390.524 2.895 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCN2C(=O)COc3ccccc32)cc1 ZINC000007829122 535603465 /nfs/dbraw/zinc/60/34/65/535603465.db2.gz WDJQYZYPSDECAL-UHFFFAOYSA-N 1 0 395.503 2.960 50 0 GFAARO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000003583478 551094019 /nfs/dbraw/zinc/09/40/19/551094019.db2.gz PIGMKYOBKOJELR-ZDUSSCGKSA-N 1 0 382.302 2.687 50 0 GFAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH2+]CC1 ZINC000019288091 551114688 /nfs/dbraw/zinc/11/46/88/551114688.db2.gz XVXPAKUWKWBDDA-OAHLLOKOSA-N 1 0 388.309 2.823 50 0 GFAARO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2Br)CCCCC1 ZINC000033047766 551133028 /nfs/dbraw/zinc/13/30/28/551133028.db2.gz RHQVQSKJXBOLKS-UHFFFAOYSA-N 1 0 375.332 2.992 50 0 GFAARO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000182028560 552273551 /nfs/dbraw/zinc/27/35/51/552273551.db2.gz KFGXKXCILYAQDN-CYBMUJFWSA-N 1 0 377.432 2.739 50 0 GFAARO CCOc1ccc(Br)cc1S(=O)(=O)NCCC[NH+](CC)CC ZINC000231416572 553066275 /nfs/dbraw/zinc/06/62/75/553066275.db2.gz TZTJCSJMTLYCFZ-UHFFFAOYSA-N 1 0 393.347 2.858 50 0 GFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000237440080 553077653 /nfs/dbraw/zinc/07/76/53/553077653.db2.gz LNDIEROBRWMQJU-OBJOEFQTSA-N 1 0 384.307 2.932 50 0 GFAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1c(Cl)cc(F)cc1Br ZINC000237706624 553080599 /nfs/dbraw/zinc/08/05/99/553080599.db2.gz PJWJSIZKLICXAF-MRVPVSSYSA-N 1 0 385.686 2.520 50 0 GFAARO Cc1[nH]c2c(cccc2C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC000048311909 570233442 /nfs/dbraw/zinc/23/34/42/570233442.db2.gz LLVLVWWPMJRZGO-UHFFFAOYSA-N 1 0 377.492 2.862 50 0 GFAARO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048355564 570243916 /nfs/dbraw/zinc/24/39/16/570243916.db2.gz IIQJQXAGHGWZPW-TWFHAPMSSA-N 1 0 385.552 2.943 50 0 GFAARO COc1cc(/C=C/CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1O ZINC000105268258 570260819 /nfs/dbraw/zinc/26/08/19/570260819.db2.gz KHIONHKZXZNJOE-GNAXCBTBSA-N 1 0 386.492 2.884 50 0 GFAARO O=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000049343653 570263126 /nfs/dbraw/zinc/26/31/26/570263126.db2.gz PLLVRQJTAMMRRN-UHFFFAOYSA-N 1 0 387.447 2.867 50 0 GFAARO O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000006167917 570279501 /nfs/dbraw/zinc/27/95/01/570279501.db2.gz QZYXALGFGOGFGD-UHFFFAOYSA-N 1 0 384.461 2.504 50 0 GFAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncnc(NCc3ccccn3)c12 ZINC000020646474 570280853 /nfs/dbraw/zinc/28/08/53/570280853.db2.gz RMQCFETVXDSTJJ-UHFFFAOYSA-N 1 0 380.496 2.778 50 0 GFAARO CC(C)NC(=O)NCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759793 570326681 /nfs/dbraw/zinc/32/66/81/570326681.db2.gz RSTBNMADWDWMRZ-QGZVFWFLSA-N 1 0 388.537 2.988 50 0 GFAARO CC(C)C[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000022918594 570335536 /nfs/dbraw/zinc/33/55/36/570335536.db2.gz OWUIEDQTEAYIDI-JOCHJYFZSA-N 1 0 386.540 2.808 50 0 GFAARO C[NH2+]C[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 ZINC000237322565 570345708 /nfs/dbraw/zinc/34/57/08/570345708.db2.gz XCXHYSAUZTUGLK-GOSISDBHSA-N 1 0 392.565 2.848 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CCCC2)c1 ZINC000237428940 570355543 /nfs/dbraw/zinc/35/55/43/570355543.db2.gz BFRVHFVTDLQKSN-ROUUACIJSA-N 1 0 392.565 2.976 50 0 GFAARO O[C@@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)CSc1ccc(F)cc1 ZINC000004299443 570365978 /nfs/dbraw/zinc/36/59/78/570365978.db2.gz NCCMJYHUZIELLX-LBPRGKRZSA-N 1 0 390.406 2.789 50 0 GFAARO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000219830049 570376115 /nfs/dbraw/zinc/37/61/15/570376115.db2.gz PYHPUQSBWISHFD-OAHLLOKOSA-N 1 0 381.467 2.606 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccc(Cl)c3)C2=O)cc1 ZINC000004649065 570389405 /nfs/dbraw/zinc/38/94/05/570389405.db2.gz GFAAGKLUEIOOAP-GOSISDBHSA-N 1 0 385.851 2.763 50 0 GFAARO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)no1 ZINC000035598031 570400573 /nfs/dbraw/zinc/40/05/73/570400573.db2.gz POVTXJILOHXVSP-UHFFFAOYSA-N 1 0 377.448 2.953 50 0 GFAARO O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000025134284 570406481 /nfs/dbraw/zinc/40/64/81/570406481.db2.gz JRSFDIAPPFZSRE-UHFFFAOYSA-N 1 0 393.409 2.648 50 0 GFAARO O=C(CCn1cnc2sccc2c1=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000026357859 570424721 /nfs/dbraw/zinc/42/47/21/570424721.db2.gz UZZXRBYUIRQTKU-UHFFFAOYSA-N 1 0 396.516 2.583 50 0 GFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000027336298 570433420 /nfs/dbraw/zinc/43/34/20/570433420.db2.gz CACUPVZPYYAYRD-DLBZAZTESA-N 1 0 385.464 2.678 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)CCN2C(=O)COc3ccccc32)[NH+](C)C)cc1 ZINC000027596981 570437462 /nfs/dbraw/zinc/43/74/62/570437462.db2.gz JFMHUDNHXWRNBI-HXUWFJFHSA-N 1 0 395.503 2.784 50 0 GFAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c4ccccc4oc3=O)C2)C1 ZINC000011879660 570442785 /nfs/dbraw/zinc/44/27/85/570442785.db2.gz BLWNQIKAJAGKHK-QFIPXVFZSA-N 1 0 385.508 2.955 50 0 GFAARO COC(=O)Cn1c(=O)c2ccccc2nc1SCc1cn2ccccc2n1 ZINC000005165942 570484996 /nfs/dbraw/zinc/48/49/96/570484996.db2.gz WGYFGUKAPYVSMR-UHFFFAOYSA-N 1 0 380.429 2.510 50 0 GFAARO C[N@H+](CCNC(=O)Cn1ncc2c1-c1ccccc1OC2)Cc1ccccc1 ZINC000006805327 570494059 /nfs/dbraw/zinc/49/40/59/570494059.db2.gz PWTIUMAYSHBTSY-UHFFFAOYSA-N 1 0 376.460 2.691 50 0 GFAARO CCCCc1noc([C@@H](C)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000072293179 570494341 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GFAARO CC(C)Oc1ccc(Br)cc1C[NH2+]CCSc1nnnn1C ZINC000040721882 570606444 /nfs/dbraw/zinc/60/64/44/570606444.db2.gz CNPGBVASZMJTQC-UHFFFAOYSA-N 1 0 386.319 2.642 50 0 GFAARO Cc1cc2nc(C)c(=O)n(CCC(=O)NCC[NH+]3CCCCCC3)c2cc1C ZINC000033005675 570618888 /nfs/dbraw/zinc/61/88/88/570618888.db2.gz LTDZWUJEYSCADR-UHFFFAOYSA-N 1 0 384.524 2.704 50 0 GFAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000045966732 570650070 /nfs/dbraw/zinc/65/00/70/570650070.db2.gz KWDIJMXJBSIXAP-SFHVURJKSA-N 1 0 397.494 2.894 50 0 GFAARO CCOc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1OCC ZINC000047386891 570654314 /nfs/dbraw/zinc/65/43/14/570654314.db2.gz GWFLMMUMVSFVPW-UHFFFAOYSA-N 1 0 376.497 2.668 50 0 GFAARO Cc1ccc2nccc(C(=O)N3CCC[C@@H](Cn4cc(C(C)(C)[NH3+])nn4)C3)c2c1 ZINC000048319759 570657424 /nfs/dbraw/zinc/65/74/24/570657424.db2.gz BGZLVUFZXVFLKS-MRXNPFEDSA-N 1 0 392.507 2.881 50 0 GFAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000227448454 570660487 /nfs/dbraw/zinc/66/04/87/570660487.db2.gz JFUWFOXPLAYQLI-ZMMAXQRCSA-N 1 0 389.565 2.684 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C)n(C)n2)C1 ZINC000012438381 570663081 /nfs/dbraw/zinc/66/30/81/570663081.db2.gz YUVLAQSOBQYCDN-GOSISDBHSA-N 1 0 384.524 2.764 50 0 GFAARO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(Br)cc3)ccn2)CC1 ZINC000036392957 570676464 /nfs/dbraw/zinc/67/64/64/570676464.db2.gz RTSQXIGJEAOVIF-UHFFFAOYSA-N 1 0 389.297 2.526 50 0 GFAARO COc1ccc(C2=NN(C(=O)C[NH2+]C(C)(C)CO)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000036393648 570678341 /nfs/dbraw/zinc/67/83/41/570678341.db2.gz NKWWTEVGXSSQEQ-HXUWFJFHSA-N 1 0 399.466 2.873 50 0 GFAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000006882303 570678362 /nfs/dbraw/zinc/67/83/62/570678362.db2.gz VBZKPPFEPZGWIX-FQEVSTJZSA-N 1 0 398.459 2.964 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012590700 570687052 /nfs/dbraw/zinc/68/70/52/570687052.db2.gz COVHKFPDMQLSHG-IBGZPJMESA-N 1 0 396.535 2.831 50 0 GFAARO Cc1c(C(=O)N2CCc3ccccc32)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048276 570699311 /nfs/dbraw/zinc/69/93/11/570699311.db2.gz NZKRYFIBVOLZEH-UHFFFAOYSA-N 1 0 393.516 2.954 50 0 GFAARO Cc1ccc([C@H](CNC(=O)CCc2nc(-c3cccnc3)no2)[NH+](C)C)cc1 ZINC000058181809 570717392 /nfs/dbraw/zinc/71/73/92/570717392.db2.gz MZUHTBHBHBZFPY-SFHVURJKSA-N 1 0 379.464 2.792 50 0 GFAARO CCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248161377 570721550 /nfs/dbraw/zinc/72/15/50/570721550.db2.gz LRJIQVVIBWKPJG-LJQANCHMSA-N 1 0 397.567 2.993 50 0 GFAARO CCS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000058391517 570730159 /nfs/dbraw/zinc/73/01/59/570730159.db2.gz LEJLTOKVLHICRH-UHFFFAOYSA-N 1 0 386.517 2.658 50 0 GFAARO CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C[NH+](C)C)CC2=O)cc1 ZINC000006992900 570731133 /nfs/dbraw/zinc/73/11/33/570731133.db2.gz ZLNJHXXHZZAWQS-FQEVSTJZSA-N 1 0 379.504 2.980 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)NCCNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000058439598 570734039 /nfs/dbraw/zinc/73/40/39/570734039.db2.gz RHPPZQWJMZAWAQ-GOSISDBHSA-N 1 0 388.899 2.672 50 0 GFAARO O=C(NCCc1ccccn1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255768 570754186 /nfs/dbraw/zinc/75/41/86/570754186.db2.gz DAAFYPIWNOGDIT-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000018101965 570799559 /nfs/dbraw/zinc/79/95/59/570799559.db2.gz JQLZTZXZYACGOQ-OALUTQOASA-N 1 0 381.476 2.562 50 0 GFAARO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000043940936 570841997 /nfs/dbraw/zinc/84/19/97/570841997.db2.gz FMAMBWUXGXAPFY-MRXNPFEDSA-N 1 0 385.533 2.954 50 0 GFAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000043941094 570842029 /nfs/dbraw/zinc/84/20/29/570842029.db2.gz ZHMMWFMIUWKSJA-UHFFFAOYSA-N 1 0 399.491 2.872 50 0 GFAARO CC(C)[NH+](CCN(C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000012569115 570873418 /nfs/dbraw/zinc/87/34/18/570873418.db2.gz STCGHBAVVZZCDW-SFHVURJKSA-N 1 0 381.542 2.826 50 0 GFAARO CCn1cc(-c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)cn1 ZINC000534590840 570906557 /nfs/dbraw/zinc/90/65/57/570906557.db2.gz JQBJQCUOMBTSPW-SFHVURJKSA-N 1 0 382.508 2.754 50 0 GFAARO Cc1c(C(=O)NCC[NH+]2CCCCC2)nnn1-c1ccc(Br)cc1 ZINC000051318060 570910202 /nfs/dbraw/zinc/91/02/02/570910202.db2.gz HZDLOYLIMKWYQZ-UHFFFAOYSA-N 1 0 392.301 2.554 50 0 GFAARO CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)nc1 ZINC000534632968 570910989 /nfs/dbraw/zinc/91/09/89/570910989.db2.gz CNBJTVONUQLUJR-IBGZPJMESA-N 1 0 380.492 2.617 50 0 GFAARO COCC[NH+]1CCC(CN(C)C(=O)c2cccc(-c3cnn(C)c3C)c2)CC1 ZINC000534651175 570914090 /nfs/dbraw/zinc/91/40/90/570914090.db2.gz HAZHULCYFNBNDM-UHFFFAOYSA-N 1 0 384.524 2.826 50 0 GFAARO C[NH+](C)CCNC(=O)[C@@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1 ZINC000065273148 570933556 /nfs/dbraw/zinc/93/35/56/570933556.db2.gz KKWMSZZTVOSHOA-OAHLLOKOSA-N 1 0 377.554 2.547 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000032930888 570944719 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50 0 GFAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccccc1Cl ZINC000299777141 212035636 /nfs/dbraw/zinc/03/56/36/212035636.db2.gz JLCOCYZUCBLOEE-CTNGQTDRSA-N 1 0 383.923 2.786 50 0 GFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc(Br)cn3)c(F)c2)C1 ZINC000328596432 209144852 /nfs/dbraw/zinc/14/48/52/209144852.db2.gz PIPGUORJQDZWLL-OHVSUOQFSA-N 1 0 393.260 2.594 50 0 GFAARO OCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000002818421 211616285 /nfs/dbraw/zinc/61/62/85/211616285.db2.gz AZAQEODUJOBDSQ-KRWDZBQOSA-N 1 0 380.282 2.683 50 0 GFAARO Cc1ncccc1C(=O)N1CCC2(CC[NH+](Cc3ccccn3)CC2)[C@@H](CO)C1 ZINC000097717459 211371601 /nfs/dbraw/zinc/37/16/01/211371601.db2.gz WMHSRMGEIYRAFH-LJQANCHMSA-N 1 0 394.519 2.522 50 0 GFAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000097610119 211368468 /nfs/dbraw/zinc/36/84/68/211368468.db2.gz MWFHXWMIZGKGNY-FQEVSTJZSA-N 1 0 376.460 2.880 50 0 GFAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000097532334 211366992 /nfs/dbraw/zinc/36/69/92/211366992.db2.gz TZSQDCRKWDUENV-AWEZNQCLSA-N 1 0 380.448 2.586 50 0 GFAARO CCCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCSC)CC2)cc1 ZINC000097468135 211365601 /nfs/dbraw/zinc/36/56/01/211365601.db2.gz FYEGZHRSLUHESX-UHFFFAOYSA-N 1 0 378.542 2.775 50 0 GFAARO CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000096396571 211340479 /nfs/dbraw/zinc/34/04/79/211340479.db2.gz JYCOOLXKOYSVQU-JOCHJYFZSA-N 1 0 383.536 2.999 50 0 GFAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000096162098 211314393 /nfs/dbraw/zinc/31/43/93/211314393.db2.gz YEQPJWBULZFEMP-NRFANRHFSA-N 1 0 393.531 2.967 50 0 GFAARO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1N1CCNC1=O ZINC000096133446 211304286 /nfs/dbraw/zinc/30/42/86/211304286.db2.gz KGPAZGDHSKMUFW-QGZVFWFLSA-N 1 0 396.491 2.760 50 0 GFAARO C[NH+]1CCN(CCCNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000096136405 211305758 /nfs/dbraw/zinc/30/57/58/211305758.db2.gz JEWDXRGQEVWYHX-UHFFFAOYSA-N 1 0 387.528 2.574 50 0 GFAARO COc1ccc(CN(C)Cc2ccon2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095531804 211276367 /nfs/dbraw/zinc/27/63/67/211276367.db2.gz URDKGGABNHFPTN-LJQANCHMSA-N 1 0 389.496 2.541 50 0 GFAARO Cc1nc2cc(C(=O)N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)ccc2[nH]1 ZINC000095530599 211275159 /nfs/dbraw/zinc/27/51/59/211275159.db2.gz GETKRENWWGXDHV-KRWDZBQOSA-N 1 0 380.496 2.649 50 0 GFAARO CCN1CC2(CC1=O)CCN(C(=O)c1ccc(C[C@@H]3CCC[NH2+]C3)cc1)CC2 ZINC000095531086 211274751 /nfs/dbraw/zinc/27/47/51/211274751.db2.gz IAAQYDDHNFXNQP-IBGZPJMESA-N 1 0 383.536 2.703 50 0 GFAARO O=C1[C@H]2CC[C@H](C[N@@H+](CCOc3ccc(F)cc3)C2)N1Cc1cscn1 ZINC000095523128 211270120 /nfs/dbraw/zinc/27/01/20/211270120.db2.gz RAVZUTFOTKFJHO-WMLDXEAASA-N 1 0 375.469 2.784 50 0 GFAARO C[NH+]1CCC(Cc2nc(-c3ccc(=O)[nH]c3)n(CCc3ccccc3)n2)CC1 ZINC000095519683 211266451 /nfs/dbraw/zinc/26/64/51/211266451.db2.gz DLMPCQPOGJWWIG-UHFFFAOYSA-N 1 0 377.492 2.760 50 0 GFAARO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C[C@@H]1C ZINC000095406054 211239404 /nfs/dbraw/zinc/23/94/04/211239404.db2.gz TWFYDXYNIKKSTJ-QWHCGFSZSA-N 1 0 394.422 2.755 50 0 GFAARO C[C@H](NC(=O)CN(C)CC[N@H+](C)C1CCN(C)CC1)c1cccc2ccccc21 ZINC000095409010 211239416 /nfs/dbraw/zinc/23/94/16/211239416.db2.gz PCKYWESQCVFRJE-IBGZPJMESA-N 1 0 396.579 2.975 50 0 GFAARO Cn1c(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc2ccccc21 ZINC000095388355 211234487 /nfs/dbraw/zinc/23/44/87/211234487.db2.gz JQGLOBCNMSJMML-SFHVURJKSA-N 1 0 389.507 2.931 50 0 GFAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1nc(-c2cccnc2)no1 ZINC000095387130 211234225 /nfs/dbraw/zinc/23/42/25/211234225.db2.gz RSTNTGQUDGQREM-LJQANCHMSA-N 1 0 391.475 2.670 50 0 GFAARO Cn1c(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cc2ccccc21 ZINC000095376140 211230183 /nfs/dbraw/zinc/23/01/83/211230183.db2.gz MSVVGDNKOQZCLW-GOSISDBHSA-N 1 0 379.508 2.956 50 0 GFAARO O=C1CCC2(CC[NH+](CCn3cnc4ccccc43)CC2)CN1C[C@@H]1CCCO1 ZINC000095370813 211227044 /nfs/dbraw/zinc/22/70/44/211227044.db2.gz MJUDNDGYVRFUJU-IBGZPJMESA-N 1 0 396.535 2.920 50 0 GFAARO COc1ccc([C@@H]2C[N@@H+](C3CCN(C(C)=O)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095364146 211225555 /nfs/dbraw/zinc/22/55/55/211225555.db2.gz BQOFCFGOPSLXNQ-YTFSRNRJSA-N 1 0 383.536 2.568 50 0 GFAARO O=C1CC[C@]2(CCC[N@@H+](C3Cc4ccccc4C3)C2)CN1CCc1c[nH]cn1 ZINC000092019853 211212036 /nfs/dbraw/zinc/21/20/36/211212036.db2.gz IGQPGICBQXPKCB-QHCPKHFHSA-N 1 0 378.520 2.824 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc3c(c1)CCCC3)CC2 ZINC000092003240 211211760 /nfs/dbraw/zinc/21/17/60/211211760.db2.gz PXQMDZIIVSJPKX-UHFFFAOYSA-N 1 0 379.508 2.693 50 0 GFAARO CCc1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)cn1 ZINC000091943124 211210719 /nfs/dbraw/zinc/21/07/19/211210719.db2.gz SEBQOJGKPXGMPO-UHFFFAOYSA-N 1 0 394.523 2.542 50 0 GFAARO O=C(Cn1cnc2ccccc21)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091793427 211208755 /nfs/dbraw/zinc/20/87/55/211208755.db2.gz ZGBAEQGGJQCLSO-PKOBYXMFSA-N 1 0 375.476 2.554 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1 ZINC000092046179 211214829 /nfs/dbraw/zinc/21/48/29/211214829.db2.gz XBZUEHJERGJRLH-JOCHJYFZSA-N 1 0 382.508 2.866 50 0 GFAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cc(SC)ccc3n2)C[C@@H]1CO ZINC000092037663 211214577 /nfs/dbraw/zinc/21/45/77/211214577.db2.gz DRRVSFAKDATOTC-IAGOWNOFSA-N 1 0 389.565 2.888 50 0 GFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000092038696 211214433 /nfs/dbraw/zinc/21/44/33/211214433.db2.gz WXKUKAXTNFBUCV-IBGZPJMESA-N 1 0 377.554 2.529 50 0 GFAARO C[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091616631 211199299 /nfs/dbraw/zinc/19/92/99/211199299.db2.gz OVRJTXLHAIYKNB-HAJZBTJFSA-N 1 0 389.515 2.642 50 0 GFAARO C[C@H](CCNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)[NH+](C)C ZINC000091625444 211198620 /nfs/dbraw/zinc/19/86/20/211198620.db2.gz JMGFIEDGVSXGBR-LLVKDONJSA-N 1 0 397.306 2.738 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c1 ZINC000091575390 211196692 /nfs/dbraw/zinc/19/66/92/211196692.db2.gz DTFKHXLUAPADGT-QFIPXVFZSA-N 1 0 382.508 2.866 50 0 GFAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000091820357 211208406 /nfs/dbraw/zinc/20/84/06/211208406.db2.gz VMKOIKMJFFFXKK-UHFFFAOYSA-N 1 0 380.492 2.791 50 0 GFAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000091808349 211207431 /nfs/dbraw/zinc/20/74/31/211207431.db2.gz QTBVAKFMGNYCDW-UHFFFAOYSA-N 1 0 377.492 2.621 50 0 GFAARO Cc1ccc(CNC(=O)CC[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000091745736 211206623 /nfs/dbraw/zinc/20/66/23/211206623.db2.gz UKGXUYSEZIHURK-QHCPKHFHSA-N 1 0 383.536 2.726 50 0 GFAARO Cc1nc(C)c(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)s1 ZINC000091781928 211206192 /nfs/dbraw/zinc/20/61/92/211206192.db2.gz PMVWZEWBUREMEZ-FQEVSTJZSA-N 1 0 376.570 2.669 50 0 GFAARO COCCCN1CC2(CCC1=O)CC[NH+](C[C@H]1COc3ccccc3O1)CC2 ZINC000091468508 211191909 /nfs/dbraw/zinc/19/19/09/211191909.db2.gz SEXXJJVGHGWHLG-SFHVURJKSA-N 1 0 388.508 2.568 50 0 GFAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091504576 211193685 /nfs/dbraw/zinc/19/36/85/211193685.db2.gz NAYJHANAPLERCJ-IBGZPJMESA-N 1 0 398.551 2.687 50 0 GFAARO COc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091440851 211193277 /nfs/dbraw/zinc/19/32/77/211193277.db2.gz QKVVREUNFWPGBE-HZPDHXFCSA-N 1 0 380.916 2.905 50 0 GFAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091452380 211192547 /nfs/dbraw/zinc/19/25/47/211192547.db2.gz CTQPILKIBUMMJO-QUCCMNQESA-N 1 0 382.508 2.617 50 0 GFAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091468775 211192694 /nfs/dbraw/zinc/19/26/94/211192694.db2.gz YKYVAQJUJFWELP-QFIPXVFZSA-N 1 0 379.508 2.893 50 0 GFAARO Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)s1 ZINC000091434152 211192430 /nfs/dbraw/zinc/19/24/30/211192430.db2.gz LENXKOOYHPVMDO-MRXNPFEDSA-N 1 0 375.538 2.605 50 0 GFAARO COCCC[NH+]1CCC(NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000089410257 211180525 /nfs/dbraw/zinc/18/05/25/211180525.db2.gz FDMPDHRHEUSVCG-UHFFFAOYSA-N 1 0 375.296 2.989 50 0 GFAARO C[C@@H](C1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082120208 211162055 /nfs/dbraw/zinc/16/20/55/211162055.db2.gz KHYNLXUFNCYRHH-HNNXBMFYSA-N 1 0 381.467 2.776 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccc2c(c1)OCO2 ZINC000082091206 211159369 /nfs/dbraw/zinc/15/93/69/211159369.db2.gz YDGWQVWJMKIVSD-UHFFFAOYSA-N 1 0 382.464 2.690 50 0 GFAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCSCC1)CC2 ZINC000082039558 211159078 /nfs/dbraw/zinc/15/90/78/211159078.db2.gz VGHVHEYBUVHVSB-INIZCTEOSA-N 1 0 376.570 2.729 50 0 GFAARO Cc1cc(C)nc(NCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000079491129 211157809 /nfs/dbraw/zinc/15/78/09/211157809.db2.gz WASAVEJKZLIJDH-UHFFFAOYSA-N 1 0 385.487 2.815 50 0 GFAARO C[C@H](C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082120226 211162625 /nfs/dbraw/zinc/16/26/25/211162625.db2.gz ULBLEVAMUJESPA-LJQANCHMSA-N 1 0 384.568 2.775 50 0 GFAARO C[N@@H+]1CCCC[C@@H]1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000078958477 211150430 /nfs/dbraw/zinc/15/04/30/211150430.db2.gz XCUDZASYAHVGMZ-MRXNPFEDSA-N 1 0 385.961 2.521 50 0 GFAARO C[NH+](C)CCC(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077538642 211138388 /nfs/dbraw/zinc/13/83/88/211138388.db2.gz SCHMNDKFFPKZGG-UHFFFAOYSA-N 1 0 377.916 2.633 50 0 GFAARO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077489664 211135933 /nfs/dbraw/zinc/13/59/33/211135933.db2.gz BCSHOURDMTWBHR-LJQANCHMSA-N 1 0 379.508 2.877 50 0 GFAARO O=C(NCc1ccc(C(F)(F)F)cc1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077357969 211131206 /nfs/dbraw/zinc/13/12/06/211131206.db2.gz ZKQYRKTZCRBPMB-OAHLLOKOSA-N 1 0 381.402 2.759 50 0 GFAARO C[C@@H](C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000077321344 211128935 /nfs/dbraw/zinc/12/89/35/211128935.db2.gz GUGHMTJHGDCWKF-KRWDZBQOSA-N 1 0 381.524 2.565 50 0 GFAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+](CCO)CCO ZINC000072476353 211124187 /nfs/dbraw/zinc/12/41/87/211124187.db2.gz YRJBBLSPZSYGJM-UHFFFAOYSA-N 1 0 387.430 2.913 50 0 GFAARO Cc1c(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)cnn1C ZINC000072462965 211122817 /nfs/dbraw/zinc/12/28/17/211122817.db2.gz KWHNCPRUCGMIBX-UHFFFAOYSA-N 1 0 384.480 2.594 50 0 GFAARO C[NH+](C)CCN1C[C@]2(CCCN(c3noc(-c4ccccc4)n3)C2)CCC1=O ZINC000072411189 211114145 /nfs/dbraw/zinc/11/41/45/211114145.db2.gz VIGLPGWLZJFHBG-NRFANRHFSA-N 1 0 383.496 2.507 50 0 GFAARO Cc1nc2ccc(C(=O)N3CCC[C@@H]3CN3C[C@@H](C)O[C@@H](C)C3)cc2nc1C ZINC000072274587 211083237 /nfs/dbraw/zinc/08/32/37/211083237.db2.gz PZAQTQHTCZQYLY-ZRGWGRIASA-N 1 0 382.508 2.960 50 0 GFAARO CCOC(=O)c1coc(N2C[C@@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072151150 211076628 /nfs/dbraw/zinc/07/66/28/211076628.db2.gz AFXASWZZMNGNGX-PWIZWCRZSA-N 1 0 397.475 2.927 50 0 GFAARO COc1ncccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151048 211076281 /nfs/dbraw/zinc/07/62/81/211076281.db2.gz GCUBPNGQEDQKLF-XUVXKRRUSA-N 1 0 381.451 2.932 50 0 GFAARO C[NH+]1CCC(Oc2ccccc2NS(=O)(=O)NCc2ccccc2)CC1 ZINC000072163999 211079936 /nfs/dbraw/zinc/07/99/36/211079936.db2.gz PKNQPESWDWDSEL-UHFFFAOYSA-N 1 0 375.494 2.606 50 0 GFAARO Fc1cccc(CN2CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)c1 ZINC000072169887 211079986 /nfs/dbraw/zinc/07/99/86/211079986.db2.gz WBHXPQOEJBVDAE-UHFFFAOYSA-N 1 0 383.511 2.976 50 0 GFAARO c1cnn(CCC[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072158630 211078788 /nfs/dbraw/zinc/07/87/88/211078788.db2.gz CHFVSXCXFYHYAB-VLCRHTCISA-N 1 0 380.492 2.564 50 0 GFAARO CCc1nccn1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133088 211072814 /nfs/dbraw/zinc/07/28/14/211072814.db2.gz QZMZDWVWFYGYDH-VLCRHTCISA-N 1 0 382.483 2.673 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CCCCC[NH3+])CCC(=O)N1Cc1ccc(F)cc1 ZINC000072121857 211071680 /nfs/dbraw/zinc/07/16/80/211071680.db2.gz ANLJPKKVDRFLNQ-LJQANCHMSA-N 1 0 377.504 2.930 50 0 GFAARO CC(C)[C@H]1CN(C(=O)c2cn3cc(Cl)cnc3n2)CCC[N@@H+]1CC1CC1 ZINC000072146250 211075085 /nfs/dbraw/zinc/07/50/85/211075085.db2.gz MRXFGYRPXBZRJL-QGZVFWFLSA-N 1 0 375.904 2.965 50 0 GFAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000071771062 211062296 /nfs/dbraw/zinc/06/22/96/211062296.db2.gz GCPPHWBUOITRKC-LJQANCHMSA-N 1 0 395.503 2.898 50 0 GFAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC1CC[NH+](C(C)C)CC1 ZINC000071775941 211061706 /nfs/dbraw/zinc/06/17/06/211061706.db2.gz SUHWGTZIQIEXGN-UHFFFAOYSA-N 1 0 386.540 2.951 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)C[NH+]2CCCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071765142 211060510 /nfs/dbraw/zinc/06/05/10/211060510.db2.gz UHLNPFWCEKCEPC-FQEVSTJZSA-N 1 0 389.515 2.897 50 0 GFAARO CN1c2ccccc2[C@@](CCC(=O)N2CCC[NH2+]CC2)(Cc2ccccc2)C1=O ZINC000071762734 211059766 /nfs/dbraw/zinc/05/97/66/211059766.db2.gz AVPAHXAAHPBPEX-XMMPIXPASA-N 1 0 391.515 2.746 50 0 GFAARO CCCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753725 211055415 /nfs/dbraw/zinc/05/54/15/211055415.db2.gz UAUBWOUVYVSVIQ-GOSISDBHSA-N 1 0 385.556 2.697 50 0 GFAARO CC[C@H](CO)NC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000071748475 211053836 /nfs/dbraw/zinc/05/38/36/211053836.db2.gz JWJDUMKEENJZNM-OAQYLSRUSA-N 1 0 387.568 2.559 50 0 GFAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(c3nccs3)CC2)C1 ZINC000071735887 211050832 /nfs/dbraw/zinc/05/08/32/211050832.db2.gz QTLGBRBGBZYBPK-KRWDZBQOSA-N 1 0 385.537 2.535 50 0 GFAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000071575659 211049808 /nfs/dbraw/zinc/04/98/08/211049808.db2.gz AFMWDYDVDSUBBE-QGZVFWFLSA-N 1 0 376.570 2.750 50 0 GFAARO CC(C)C(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071736039 211051181 /nfs/dbraw/zinc/05/11/81/211051181.db2.gz UQOFPIYSTBKEON-LJQANCHMSA-N 1 0 377.504 2.657 50 0 GFAARO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCC3)cc2=O)cc1Cl ZINC000071284679 211044602 /nfs/dbraw/zinc/04/46/02/211044602.db2.gz LXYJPYVVVWDJSQ-UHFFFAOYSA-N 1 0 392.839 2.915 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1cccc(N2CCCC2=O)c1 ZINC000069879449 211041090 /nfs/dbraw/zinc/04/10/90/211041090.db2.gz KZKDAYRSOJEQFC-HXUWFJFHSA-N 1 0 377.488 2.919 50 0 GFAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090700158 211038220 /nfs/dbraw/zinc/03/82/20/211038220.db2.gz UBHRVINJAFSKSK-INIZCTEOSA-N 1 0 376.501 2.736 50 0 GFAARO CCc1[nH]nc2c1[C@@H](c1ccc(OCC[NH+]3CCCC3)c(OC)c1)CC(=O)N2 ZINC000067974813 211031150 /nfs/dbraw/zinc/03/11/50/211031150.db2.gz CSTANZBKKHIWDH-OAHLLOKOSA-N 1 0 384.480 2.929 50 0 GFAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908572 211030003 /nfs/dbraw/zinc/03/00/03/211030003.db2.gz PQKRUAUVLFHMQF-LJQANCHMSA-N 1 0 391.531 2.573 50 0 GFAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000067867327 211027637 /nfs/dbraw/zinc/02/76/37/211027637.db2.gz WDUBXODHBIMANW-LBPRGKRZSA-N 1 0 382.386 2.689 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3ccccn3)C2=O)cc1 ZINC000067856828 211026175 /nfs/dbraw/zinc/02/61/75/211026175.db2.gz VWZKFOYTWXMDNZ-QHCPKHFHSA-N 1 0 381.520 2.891 50 0 GFAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000067787038 211021794 /nfs/dbraw/zinc/02/17/94/211021794.db2.gz AZZKQRQNIZSCMG-SFHVURJKSA-N 1 0 378.476 2.676 50 0 GFAARO CC(C)[C@@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067741688 211019989 /nfs/dbraw/zinc/01/99/89/211019989.db2.gz FBXMBCHXASIPSG-QGZVFWFLSA-N 1 0 375.856 2.812 50 0 GFAARO Cc1ccc(C)c(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000067604383 211013688 /nfs/dbraw/zinc/01/36/88/211013688.db2.gz HNSYPBDAMWUOBO-UHFFFAOYSA-N 1 0 379.508 2.964 50 0 GFAARO CCNc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(C)[nH+]1 ZINC000067629807 211012346 /nfs/dbraw/zinc/01/23/46/211012346.db2.gz JACHVXALLOKGNT-UHFFFAOYSA-N 1 0 377.851 2.972 50 0 GFAARO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(-n2cccn2)cc1)C(F)(F)F ZINC000048366185 210855949 /nfs/dbraw/zinc/85/59/49/210855949.db2.gz XBZKUCVRYALSAF-QGZVFWFLSA-N 1 0 379.386 2.536 50 0 GFAARO COc1ccccc1NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000040105473 210526274 /nfs/dbraw/zinc/52/62/74/210526274.db2.gz FISQJJCXXMNMHW-UHFFFAOYSA-N 1 0 388.512 2.541 50 0 GFAARO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000020358602 210329825 /nfs/dbraw/zinc/32/98/25/210329825.db2.gz DHQVVBRZMJVGCJ-UHFFFAOYSA-N 1 0 393.557 2.686 50 0 GFAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN(c2ccccn2)CC1 ZINC000020363446 210329332 /nfs/dbraw/zinc/32/93/32/210329332.db2.gz AJIHVCICRLGSEX-HXUWFJFHSA-N 1 0 393.535 2.818 50 0 GFAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(Cl)c3)C2=O)cc1 ZINC000020137661 210317807 /nfs/dbraw/zinc/31/78/07/210317807.db2.gz GFAAGKLUEIOOAP-SFHVURJKSA-N 1 0 385.851 2.763 50 0 GFAARO CNc1ncccc1CN1CCC[C@@H]1c1ccc(C(=O)NCC[NH+](C)C)s1 ZINC000019771186 210296580 /nfs/dbraw/zinc/29/65/80/210296580.db2.gz LWDSLZRTIZCDAN-MRXNPFEDSA-N 1 0 387.553 2.813 50 0 GFAARO CC[NH+]1CCN(C[C@@H](O)CN2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019706625 210282974 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O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1csc(Br)c1 ZINC000030628172 551128440 /nfs/dbraw/zinc/12/84/40/551128440.db2.gz RLDYUYVACFJEOV-UHFFFAOYSA-N 1 0 386.315 2.855 50 0 GFAARO CCc1c(C(=O)N2CC[C@H](C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000178559893 552172624 /nfs/dbraw/zinc/17/26/24/552172624.db2.gz YYHKECRVJIDTJO-GFCCVEGCSA-N 1 0 377.286 2.618 50 0 GFAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237279003 553076399 /nfs/dbraw/zinc/07/63/99/553076399.db2.gz TWJNURNPMCKXFZ-SECBINFHSA-N 1 0 385.686 2.614 50 0 GFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000370798293 563255537 /nfs/dbraw/zinc/25/55/37/563255537.db2.gz LNDIEROBRWMQJU-OUCADQQQSA-N 1 0 384.307 2.932 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2Br)no1 ZINC000521394613 564626836 /nfs/dbraw/zinc/62/68/36/564626836.db2.gz VPZJXCRSSRAVNV-CQSZACIVSA-N 1 0 394.269 2.758 50 0 GFAARO O=C1CCCN1C1CC[NH+](Cc2ccccc2OCCCn2ccnc2)CC1 ZINC000216370044 570300164 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C[C@@H]1C[NH+](CCCNc2cnn(-c3ccccc3)c(=O)c2Cl)C[C@@H](C)O1 ZINC000023619225 570328453 /nfs/dbraw/zinc/32/84/53/570328453.db2.gz XBQYZTUJCLNQCC-HUUCEWRRSA-N 1 0 376.888 2.797 50 0 GFAARO COc1cc(OC)c(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(OC)c1 ZINC000022807533 570329458 /nfs/dbraw/zinc/32/94/58/570329458.db2.gz IWZMISXVVQZLFI-QGZVFWFLSA-N 1 0 392.521 2.937 50 0 GFAARO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000023694581 570330112 /nfs/dbraw/zinc/33/01/12/570330112.db2.gz BAFNNWJMRROISX-QGZVFWFLSA-N 1 0 378.476 2.943 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc4ccccc4c3)cn2)CC1 ZINC000023318315 570354551 /nfs/dbraw/zinc/35/45/51/570354551.db2.gz SGQDZCCNRKNVOA-UHFFFAOYSA-N 1 0 390.487 2.682 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000237446927 570359685 /nfs/dbraw/zinc/35/96/85/570359685.db2.gz BOMCJDSDVWXLMH-OXQOHEQNSA-N 1 0 386.517 2.860 50 0 GFAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000023731538 570370315 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[NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)nn2)CC1 ZINC000247708998 570440419 /nfs/dbraw/zinc/44/04/19/570440419.db2.gz HMEGWJYOGTZWKO-RYQLBKOJSA-N 1 0 386.475 2.576 50 0 GFAARO COc1ccccc1O[C@H](C)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027742219 570441333 /nfs/dbraw/zinc/44/13/33/570441333.db2.gz JYXJNWVEBZRYKU-GOSISDBHSA-N 1 0 389.540 2.529 50 0 GFAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCCCCC2)CC1 ZINC000006221820 570472771 /nfs/dbraw/zinc/47/27/71/570472771.db2.gz YLBPHKYGCZCKCT-UHFFFAOYSA-N 1 0 386.945 2.732 50 0 GFAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccn2)N(CCC[NH+](C)C)C1=O ZINC000006660969 570524738 /nfs/dbraw/zinc/52/47/38/570524738.db2.gz PGTDIVFDRAWIQL-LJQANCHMSA-N 1 0 393.443 2.694 50 0 GFAARO CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1=O ZINC000022696993 570529636 /nfs/dbraw/zinc/52/96/36/570529636.db2.gz KXWJHPORDOIBTI-IBGZPJMESA-N 1 0 375.900 2.872 50 0 GFAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@H](O)COc1ccccc1C ZINC000036104385 570540949 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ZINC000044572002 570633629 /nfs/dbraw/zinc/63/36/29/570633629.db2.gz RTDSJGZIQQBMRG-MRXNPFEDSA-N 1 0 389.521 2.970 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1OC ZINC000012299187 570635296 /nfs/dbraw/zinc/63/52/96/570635296.db2.gz UKORIUVCNZIVHH-IBGZPJMESA-N 1 0 383.492 2.878 50 0 GFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840413 570641437 /nfs/dbraw/zinc/64/14/37/570641437.db2.gz YANBKOFXHYRDGV-AWEZNQCLSA-N 1 0 388.537 2.707 50 0 GFAARO O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1)N1CCOCC1 ZINC000012433428 570660815 /nfs/dbraw/zinc/66/08/15/570660815.db2.gz ZMHFEWRDWBMADN-SFHVURJKSA-N 1 0 382.508 2.928 50 0 GFAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000012449390 570668258 /nfs/dbraw/zinc/66/82/58/570668258.db2.gz UAMKDVQJDVRKDC-GOSISDBHSA-N 1 0 382.508 2.667 50 0 GFAARO COCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000012479289 570674179 /nfs/dbraw/zinc/67/41/79/570674179.db2.gz DBBQRAPKZRHYRN-NRFANRHFSA-N 1 0 376.497 2.555 50 0 GFAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000006882304 570678398 /nfs/dbraw/zinc/67/83/98/570678398.db2.gz VBZKPPFEPZGWIX-HXUWFJFHSA-N 1 0 398.459 2.964 50 0 GFAARO CCc1oc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1C[NH+](CC)CC ZINC000055042027 570680153 /nfs/dbraw/zinc/68/01/53/570680153.db2.gz WRNNVCATCIIPHX-UHFFFAOYSA-N 1 0 382.464 2.850 50 0 GFAARO Cn1cc(-c2csc(CNc3ccc(N4CCC(CO)CC4)cn3)n2)cn1 ZINC000240668117 570685560 /nfs/dbraw/zinc/68/55/60/570685560.db2.gz HMLCXUGPMZFIJF-UHFFFAOYSA-N 1 0 384.509 2.759 50 0 GFAARO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000242047862 570687880 /nfs/dbraw/zinc/68/78/80/570687880.db2.gz VQSFSRMWTCGSFE-GOSISDBHSA-N 1 0 389.540 2.541 50 0 GFAARO CC1=C(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)OCCO1 ZINC000012593232 570688250 /nfs/dbraw/zinc/68/82/50/570688250.db2.gz WXTIYESZIMXYDU-UHFFFAOYSA-N 1 0 376.472 2.817 50 0 GFAARO O=CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000242047875 570688864 /nfs/dbraw/zinc/68/88/64/570688864.db2.gz VQTOMCAAFZMDDD-GOSISDBHSA-N 1 0 398.334 2.641 50 0 GFAARO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000243893762 570691741 /nfs/dbraw/zinc/69/17/41/570691741.db2.gz AUBQHSCJLKSRAL-KRWDZBQOSA-N 1 0 380.492 2.572 50 0 GFAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCCN(c3ccc(F)cc3)CC2)n1 ZINC000244734534 570695657 /nfs/dbraw/zinc/69/56/57/570695657.db2.gz NHHJDHUIZVLJJG-JCNLHEQBSA-N 1 0 385.487 2.684 50 0 GFAARO O=C(CCN1CC[N@H+](CC2CC2)[C@H](CCO)C1)Nc1cccc2ccccc21 ZINC000244817021 570697340 /nfs/dbraw/zinc/69/73/40/570697340.db2.gz SSXBSOVBYKLSGS-HXUWFJFHSA-N 1 0 381.520 2.947 50 0 GFAARO CCCn1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c(C)n1 ZINC000012717821 570704950 /nfs/dbraw/zinc/70/49/50/570704950.db2.gz BJBORDDBAKKFGW-FQEVSTJZSA-N 1 0 376.545 2.889 50 0 GFAARO COc1ccccc1C1=NO[C@@](C)(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000222283747 570709247 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/nfs/dbraw/zinc/76/31/69/570763169.db2.gz SXYPDHVSZIMLSI-GOSISDBHSA-N 1 0 375.856 2.584 50 0 GFAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc3sc4c(c3c(=O)n2C)CCC4)C1 ZINC000022018999 570777241 /nfs/dbraw/zinc/77/72/41/570777241.db2.gz MKEAPVNQSIRLLJ-CYBMUJFWSA-N 1 0 393.578 2.933 50 0 GFAARO C[C@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)NC(=O)c1ccccc1 ZINC000032736185 570788473 /nfs/dbraw/zinc/78/84/73/570788473.db2.gz OATHRLUPSZQKPE-GOSISDBHSA-N 1 0 379.504 2.976 50 0 GFAARO Cc1ccccc1CS(=O)(=O)CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000003006133 570821663 /nfs/dbraw/zinc/82/16/63/570821663.db2.gz KRMLISDHPFTJQH-UHFFFAOYSA-N 1 0 380.554 2.538 50 0 GFAARO CCc1ccc(CNc2nn3c(nc(C[NH+]4CCCCCC4)cc3=O)[nH]2)cc1 ZINC000101796959 570834984 /nfs/dbraw/zinc/83/49/84/570834984.db2.gz OYEISKQIKXLGRK-UHFFFAOYSA-N 1 0 380.496 2.968 50 0 GFAARO CN1CCO[C@@H](CNC(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534589573 570905698 /nfs/dbraw/zinc/90/56/98/570905698.db2.gz XZZZPRWYOMZNCK-SFHVURJKSA-N 1 0 376.460 2.544 50 0 GFAARO O=C(c1cccc(-c2ccc(O)cn2)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000534633518 570910736 /nfs/dbraw/zinc/91/07/36/570910736.db2.gz FGPPVHNPRGRYJI-UHFFFAOYSA-N 1 0 381.476 2.517 50 0 GFAARO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000020606155 570951955 /nfs/dbraw/zinc/95/19/55/570951955.db2.gz DTEXTVRNUSPOTI-CQSZACIVSA-N 1 0 381.505 2.925 50 0 GFAARO COc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C1=O ZINC000021035115 570952653 /nfs/dbraw/zinc/95/26/53/570952653.db2.gz DZPPHJJXECWPPS-GOSISDBHSA-N 1 0 377.444 2.949 50 0 GFAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000252444062 570957197 /nfs/dbraw/zinc/95/71/97/570957197.db2.gz YOTIDOANGYFEDL-UYAOXDASSA-N 1 0 388.471 2.690 50 0 GFAARO Cc1cc(NC(=O)c2cccc(-n3ccnn3)c2)cc(N2CC[NH+](C)CC2)c1 ZINC000252489812 570970850 /nfs/dbraw/zinc/97/08/50/570970850.db2.gz KBHBUFHCOMNXQP-UHFFFAOYSA-N 1 0 376.464 2.580 50 0 GFAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)on3)nc21 ZINC000012229562 570972552 /nfs/dbraw/zinc/97/25/52/570972552.db2.gz RMSFLUYNQDPBBH-UHFFFAOYSA-N 1 0 390.465 2.818 50 0 GFAARO CCCc1ccc([C@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 ZINC000012743186 570987025 /nfs/dbraw/zinc/98/70/25/570987025.db2.gz QWXYFRDEMGTPRZ-FQEVSTJZSA-N 1 0 383.517 2.977 50 0 GFAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c1C ZINC000015482963 570988350 /nfs/dbraw/zinc/98/83/50/570988350.db2.gz BKYMBFRZEXBJPO-CYBMUJFWSA-N 1 0 395.912 2.894 50 0 GFAARO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000170676588 571008424 /nfs/dbraw/zinc/00/84/24/571008424.db2.gz RGZDAGWJKJUUMP-GCJKJVERSA-N 1 0 381.520 2.639 50 0 GFAARO [NH3+]CCCOC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000170677270 571009119 /nfs/dbraw/zinc/00/91/19/571009119.db2.gz WDBYFGQCRCTTLM-UHFFFAOYSA-N 1 0 398.385 2.725 50 0 GFAARO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000007777482 571035868 /nfs/dbraw/zinc/03/58/68/571035868.db2.gz FBKPMKBCCBKFIB-HNNXBMFYSA-N 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/nfs/dbraw/zinc/98/99/85/529989985.db2.gz LNKNCPFXVWGJSF-UHFFFAOYSA-N 1 0 382.508 2.868 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCCC2)nn1 ZINC000225521862 222681435 /nfs/dbraw/zinc/68/14/35/222681435.db2.gz AFEKIIIWEMIIJY-UHFFFAOYSA-N 1 0 379.508 2.861 50 0 GFAARO COc1ccc(-c2noc(CCC(=O)N3CCC4(CC[NH2+]CC4)CC3)n2)cc1 ZINC000252478651 222732145 /nfs/dbraw/zinc/73/21/45/222732145.db2.gz ARGULTYWNQXGGA-UHFFFAOYSA-N 1 0 384.480 2.670 50 0 GFAARO COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000010329530 212247897 /nfs/dbraw/zinc/24/78/97/212247897.db2.gz VHCNIZCUKWPYKK-MRXNPFEDSA-N 1 0 376.428 2.884 50 0 GFAARO C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)c1nc(-c2ccccn2)no1 ZINC000426494507 533115929 /nfs/dbraw/zinc/11/59/29/533115929.db2.gz PLHKMUZYKIZWAL-OAHLLOKOSA-N 1 0 384.484 2.853 50 0 GFAARO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000007777483 221009864 /nfs/dbraw/zinc/00/98/64/221009864.db2.gz FBKPMKBCCBKFIB-OAHLLOKOSA-N 1 0 397.500 2.946 50 0 GFAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000007771016 221010120 /nfs/dbraw/zinc/01/01/20/221010120.db2.gz KXJOSRPZDLLZIG-UHFFFAOYSA-N 1 0 395.569 2.756 50 0 GFAARO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000008938722 221063793 /nfs/dbraw/zinc/06/37/93/221063793.db2.gz XOZBNYQQUYOSEO-SFHVURJKSA-N 1 0 375.476 2.993 50 0 GFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccccc1 ZINC000008751293 221055081 /nfs/dbraw/zinc/05/50/81/221055081.db2.gz CUDZKFDHBWZESM-CTNGQTDRSA-N 1 0 377.488 2.949 50 0 GFAARO CCOc1c(C[NH2+]CCSc2nnnn2-c2ccccc2)cccc1OC ZINC000009249991 221075995 /nfs/dbraw/zinc/07/59/95/221075995.db2.gz NDIMFROJZANCLB-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1 ZINC000011873912 221133760 /nfs/dbraw/zinc/13/37/60/221133760.db2.gz NVOZGORXYMVRBL-CYBMUJFWSA-N 1 0 376.482 2.534 50 0 GFAARO O=C(NCC[NH+]1CCCCC1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000011878576 221134703 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2.894 50 0 GFAARO COCCNC(=O)c1ccc(OC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000012300966 221178600 /nfs/dbraw/zinc/17/86/00/221178600.db2.gz GVJMRMOJWCWNTC-UHFFFAOYSA-N 1 0 396.915 2.738 50 0 GFAARO O=C(c1nc2ccccn2c1C[NH2+]CCCc1ccccc1)N1CCOCC1 ZINC000012314509 221179379 /nfs/dbraw/zinc/17/93/79/221179379.db2.gz PYEPHHSNKSJPRK-UHFFFAOYSA-N 1 0 378.476 2.529 50 0 GFAARO C[C@@]1(COc2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cn2)CCC[NH2+]C1 ZINC000012429832 221190908 /nfs/dbraw/zinc/19/09/08/221190908.db2.gz YIFDAIOZQQVSCK-JOCHJYFZSA-N 1 0 397.523 2.599 50 0 GFAARO Nc1cc(N)[nH+]c(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000012528586 221203147 /nfs/dbraw/zinc/20/31/47/221203147.db2.gz WDRXVHWHMXLZJO-UHFFFAOYSA-N 1 0 389.868 2.963 50 0 GFAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2F)nn1 ZINC000012572984 221208455 /nfs/dbraw/zinc/20/84/55/221208455.db2.gz TWHYMCDTXKDZMH-LJQANCHMSA-N 1 0 393.466 2.860 50 0 GFAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)CC1=O ZINC000012372761 221186539 /nfs/dbraw/zinc/18/65/39/221186539.db2.gz CMYRNEHOVRQDGX-HNNXBMFYSA-N 1 0 387.480 2.967 50 0 GFAARO CN(Cc1ccc(F)cc1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000012709357 221219481 /nfs/dbraw/zinc/21/94/81/221219481.db2.gz SNSCHNPUGFZGHB-IBGZPJMESA-N 1 0 375.488 2.555 50 0 GFAARO CCC[NH+]1CCC(NC(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)CC1 ZINC000012718715 221221828 /nfs/dbraw/zinc/22/18/28/221221828.db2.gz SSCGRJHBKSQDDN-KDURUIRLSA-N 1 0 399.579 2.624 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(OC)c1 ZINC000012751279 221224477 /nfs/dbraw/zinc/22/44/77/221224477.db2.gz HJCYMJSYPIIALS-LJQANCHMSA-N 1 0 397.475 2.839 50 0 GFAARO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000012995625 221253807 /nfs/dbraw/zinc/25/38/07/221253807.db2.gz GBIMILIITBQWIG-SFHVURJKSA-N 1 0 395.532 2.961 50 0 GFAARO Cc1ccc2nc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc(=O)n2c1 ZINC000012993655 221253905 /nfs/dbraw/zinc/25/39/05/221253905.db2.gz FTQIKCVASZBHDX-UHFFFAOYSA-N 1 0 382.508 2.618 50 0 GFAARO [NH2+]=C1NC(SCC(=O)NC2CCCCC2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579112 221274190 /nfs/dbraw/zinc/27/41/90/221274190.db2.gz JTSCVNNSRAOCAO-KRWDZBQOSA-N 1 0 384.509 2.623 50 0 GFAARO CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000014238422 221305426 /nfs/dbraw/zinc/30/54/26/221305426.db2.gz FBTHMEOPKXRUIE-AWEZNQCLSA-N 1 0 375.296 2.533 50 0 GFAARO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000014745784 221316079 /nfs/dbraw/zinc/31/60/79/221316079.db2.gz CDJLLIYKUMAVOO-KRWDZBQOSA-N 1 0 395.532 2.937 50 0 GFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CCOC ZINC000014754973 221316199 /nfs/dbraw/zinc/31/61/99/221316199.db2.gz IZYGNLHDARCIAT-KRWDZBQOSA-N 1 0 399.535 2.698 50 0 GFAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)CCc1ccccc1)C2 ZINC000014743778 221316226 /nfs/dbraw/zinc/31/62/26/221316226.db2.gz VWKCPUJWWCHBRC-GOSISDBHSA-N 1 0 398.576 2.641 50 0 GFAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCC[C@H](O)C3)CC2)CC1 ZINC000014959951 221320257 /nfs/dbraw/zinc/32/02/57/221320257.db2.gz YRFSGOZUBHWLPQ-QHCPKHFHSA-N 1 0 399.579 2.655 50 0 GFAARO COc1cc(C)c(C[NH+]2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)cc1C ZINC000014992539 221325362 /nfs/dbraw/zinc/32/53/62/221325362.db2.gz WQAMCZMAEFHVOL-UHFFFAOYSA-N 1 0 397.523 2.977 50 0 GFAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1OC ZINC000015072398 221330923 /nfs/dbraw/zinc/33/09/23/221330923.db2.gz JUDJCIXPJJKCJD-GOSISDBHSA-N 1 0 383.492 2.878 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)C1 ZINC000015677463 221340415 /nfs/dbraw/zinc/34/04/15/221340415.db2.gz MNTZWHSUQJSUNI-IAGOWNOFSA-N 1 0 396.535 2.831 50 0 GFAARO COc1cn(CC(=O)NCCc2ccccc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974450 221374529 /nfs/dbraw/zinc/37/45/29/221374529.db2.gz PMVPRYVGKARGJE-UHFFFAOYSA-N 1 0 397.519 2.592 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4C)C3=O)c2c1 ZINC000018088211 221387385 /nfs/dbraw/zinc/38/73/85/221387385.db2.gz MTCYSBNJEWTUMO-IBGZPJMESA-N 1 0 377.444 2.949 50 0 GFAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000067785514 136164927 /nfs/dbraw/zinc/16/49/27/136164927.db2.gz FGUZHRRKMGNIGR-QHCPKHFHSA-N 1 0 378.520 2.818 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)c(C)c1C ZINC000072424189 136169796 /nfs/dbraw/zinc/16/97/96/136169796.db2.gz PMBDOTLUMQPOBU-SFHVURJKSA-N 1 0 395.507 2.657 50 0 GFAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](C1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2 ZINC000095381102 136178730 /nfs/dbraw/zinc/17/87/30/136178730.db2.gz YKEFFEXKGPRHPV-HIFRSBDPSA-N 1 0 382.430 2.670 50 0 GFAARO Cc1cc(N2CCN(C(=O)Nc3ccc(-n4cncn4)cc3)CC2)cc(C)[nH+]1 ZINC000095496783 136179704 /nfs/dbraw/zinc/17/97/04/136179704.db2.gz XXWZQRGFXAWZIK-UHFFFAOYSA-N 1 0 377.452 2.633 50 0 GFAARO Cc1cc(N2CCC([NH2+][C@H](C)Cn3cncn3)CC2)nc(-c2ccccc2)n1 ZINC000095520078 136181193 /nfs/dbraw/zinc/18/11/93/136181193.db2.gz SXUFQICOVNJFNU-QGZVFWFLSA-N 1 0 377.496 2.691 50 0 GFAARO Cc1nc2sccc2c(N2CCC([NH2+]Cc3nnc4n3CCCC4)CC2)n1 ZINC000096165593 136184917 /nfs/dbraw/zinc/18/49/17/136184917.db2.gz LZWKQMDNDQGACG-UHFFFAOYSA-N 1 0 383.525 2.686 50 0 GFAARO COc1ccc(C[N@@H+]2CCN(c3ncnc4c3CCC4)C[C@H]2CCO)c(C)c1C ZINC000106942613 136196964 /nfs/dbraw/zinc/19/69/64/136196964.db2.gz PZXQHQXDNMEKAK-LJQANCHMSA-N 1 0 396.535 2.664 50 0 GFAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cn[nH+]c(N(C)C)c2)CC1 ZINC000206724174 136199365 /nfs/dbraw/zinc/19/93/65/136199365.db2.gz QQDNUUUCKGCLEQ-UHFFFAOYSA-N 1 0 390.875 2.559 50 0 GFAARO Cc1nc(-c2ccccc2)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000023258132 221590027 /nfs/dbraw/zinc/59/00/27/221590027.db2.gz UVOSYCSWRSKFMB-UHFFFAOYSA-N 1 0 384.549 2.972 50 0 GFAARO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000038780506 221884740 /nfs/dbraw/zinc/88/47/40/221884740.db2.gz AXQVWPAGHOMYDA-HNNXBMFYSA-N 1 0 386.496 2.747 50 0 GFAARO COC(=O)Cn1cc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c2ccccc21 ZINC000039360031 221887706 /nfs/dbraw/zinc/88/77/06/221887706.db2.gz AXGDFXIKTARJCZ-KRWDZBQOSA-N 1 0 380.444 2.916 50 0 GFAARO O=C(C[N@@H+]1CCC[C@H](COCc2ccccc2)C1)NCc1ccc2c(c1)OCO2 ZINC000056908454 222026563 /nfs/dbraw/zinc/02/65/63/222026563.db2.gz VUHNTQLDAGATDD-FQEVSTJZSA-N 1 0 396.487 2.960 50 0 GFAARO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000055408879 222022290 /nfs/dbraw/zinc/02/22/90/222022290.db2.gz DJSLMQVHDYKZII-RTBURBONSA-N 1 0 399.578 2.501 50 0 GFAARO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4n[nH]nc4c3)CC2)cc1 ZINC000058191976 222043415 /nfs/dbraw/zinc/04/34/15/222043415.db2.gz SSRWEFLUJUSPGX-UHFFFAOYSA-N 1 0 379.464 2.609 50 0 GFAARO CCCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[NH+](C)C)c1=O ZINC000058372172 222051242 /nfs/dbraw/zinc/05/12/42/222051242.db2.gz HZWVCHGDSYWTSL-UHFFFAOYSA-N 1 0 394.519 2.981 50 0 GFAARO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000060375727 222059427 /nfs/dbraw/zinc/05/94/27/222059427.db2.gz QQRLYOBMNNMYNL-UHFFFAOYSA-N 1 0 380.492 2.788 50 0 GFAARO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000061999498 222065672 /nfs/dbraw/zinc/06/56/72/222065672.db2.gz RAWOHIWYAHGABO-REDKUUPNSA-N 1 0 377.444 2.966 50 0 GFAARO CCC[NH+]1CCN(C(=O)CCc2c(C)c(C(=O)OCC)c(C)n2CC)CC1 ZINC000064970508 222090810 /nfs/dbraw/zinc/09/08/10/222090810.db2.gz WUEOSYTUEFZAFG-UHFFFAOYSA-N 1 0 377.529 2.788 50 0 GFAARO CN(Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071750214 222189182 /nfs/dbraw/zinc/18/91/82/222189182.db2.gz FGBOLBIWSQMIQV-SFHVURJKSA-N 1 0 389.565 2.820 50 0 GFAARO O=C(Nc1ccnn1C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)OCO2 ZINC000067514574 222148185 /nfs/dbraw/zinc/14/81/85/222148185.db2.gz WTTZADUHOSPUBS-KRWDZBQOSA-N 1 0 398.463 2.680 50 0 GFAARO CCNc1nc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc(C)[nH+]1 ZINC000067601780 222150047 /nfs/dbraw/zinc/15/00/47/222150047.db2.gz FLYXPRMKDFTEQC-UHFFFAOYSA-N 1 0 389.887 2.841 50 0 GFAARO COCCCC[NH+]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067589094 222150144 /nfs/dbraw/zinc/15/01/44/222150144.db2.gz HHZKIKLARRIZDO-UHFFFAOYSA-N 1 0 379.508 2.941 50 0 GFAARO CNc1nc(NCc2cc3c(=O)n(C4CCCC4)cc-3[nH]c2OC)cc(C)[nH+]1 ZINC000071755239 222191533 /nfs/dbraw/zinc/19/15/33/222191533.db2.gz CXWZZTDLBNJYMA-UHFFFAOYSA-N 1 0 382.468 2.741 50 0 GFAARO CC(C)C(=O)N1CCC([N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2)CC1 ZINC000067696630 222156373 /nfs/dbraw/zinc/15/63/73/222156373.db2.gz TYXBRERPPPUPIP-JOCHJYFZSA-N 1 0 387.524 2.855 50 0 GFAARO CN(C(=O)c1coc(COc2cccc3cnccc32)n1)C1CC[NH+](C)CC1 ZINC000067754663 222157420 /nfs/dbraw/zinc/15/74/20/222157420.db2.gz OOZLMRNBPYMCLW-UHFFFAOYSA-N 1 0 380.448 2.968 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000067740609 222158134 /nfs/dbraw/zinc/15/81/34/222158134.db2.gz ZWXNLLXSRQFKFP-HNNXBMFYSA-N 1 0 399.988 2.841 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccc(F)cc3)C2=O)c1 ZINC000067966265 222168749 /nfs/dbraw/zinc/16/87/49/222168749.db2.gz XJPINULSODBSLO-NRFANRHFSA-N 1 0 390.430 2.617 50 0 GFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1 ZINC000068232037 222170980 /nfs/dbraw/zinc/17/09/80/222170980.db2.gz TVSAADIPTZJIQY-UHFFFAOYSA-N 1 0 375.476 2.936 50 0 GFAARO Cc1ccn2cc(Cn3nc([C@@H]4CCC[NH2+]C4)n(-c4ccccc4)c3=O)nc2c1 ZINC000071756856 222191039 /nfs/dbraw/zinc/19/10/39/222191039.db2.gz BDUBWXMOGOMUSW-QGZVFWFLSA-N 1 0 388.475 2.505 50 0 GFAARO CCCSc1nn(CC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCC4 ZINC000071280935 222178729 /nfs/dbraw/zinc/17/87/29/222178729.db2.gz OWOLCNBJSROOCL-UHFFFAOYSA-N 1 0 377.539 2.658 50 0 GFAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000071736483 222187190 /nfs/dbraw/zinc/18/71/90/222187190.db2.gz JRFRNRKGBWNRCY-IBGZPJMESA-N 1 0 398.551 2.591 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCc3ccccc3)C2=O)c1 ZINC000071753470 222192486 /nfs/dbraw/zinc/19/24/86/222192486.db2.gz QXJBMQPNVVKKPV-JOCHJYFZSA-N 1 0 386.467 2.520 50 0 GFAARO CCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071763419 222195464 /nfs/dbraw/zinc/19/54/64/222195464.db2.gz DAVXDOMVGCJVIJ-IBGZPJMESA-N 1 0 398.551 2.543 50 0 GFAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000071763671 222195616 /nfs/dbraw/zinc/19/56/16/222195616.db2.gz RBYZYDRFIYAZRV-LJQANCHMSA-N 1 0 382.508 2.667 50 0 GFAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)C1 ZINC000072140301 222210574 /nfs/dbraw/zinc/21/05/74/222210574.db2.gz VXUNRVZWVGLFLG-AWEZNQCLSA-N 1 0 393.894 2.921 50 0 GFAARO O=S(=O)(c1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000072154696 222212488 /nfs/dbraw/zinc/21/24/88/222212488.db2.gz CQGCFMHKMMAGLG-HXUWFJFHSA-N 1 0 389.496 2.898 50 0 GFAARO Cc1c(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cnc2ccnn21 ZINC000072164077 222215114 /nfs/dbraw/zinc/21/51/14/222215114.db2.gz IIZVDSLROZCITG-LJQANCHMSA-N 1 0 375.476 2.701 50 0 GFAARO O[C@H]1[C@H](n2cc(-c3ccc(F)cc3F)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072173854 222216649 /nfs/dbraw/zinc/21/66/49/222216649.db2.gz GJDQXKXMLXYSST-UXHICEINSA-N 1 0 382.414 2.808 50 0 GFAARO c1cc2nc(-c3ccncc3)cc(N3CCC[N@@H+](Cc4cccnc4)CC3)n2n1 ZINC000072417839 222257868 /nfs/dbraw/zinc/25/78/68/222257868.db2.gz NUWOEEJYIWNCLU-UHFFFAOYSA-N 1 0 385.475 2.899 50 0 GFAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000072426186 222259252 /nfs/dbraw/zinc/25/92/52/222259252.db2.gz OTVSSJFVTOXSAI-LJQANCHMSA-N 1 0 375.561 2.797 50 0 GFAARO COc1ccc(CCNC(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)cc1 ZINC000085473248 222324320 /nfs/dbraw/zinc/32/43/20/222324320.db2.gz AXXSQBYPCADCLQ-GOSISDBHSA-N 1 0 377.554 2.851 50 0 GFAARO Cc1ccc(C(N)=O)cc1NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000095503588 222336346 /nfs/dbraw/zinc/33/63/46/222336346.db2.gz GWWBUPHAZZFDLX-UHFFFAOYSA-N 1 0 380.492 2.879 50 0 GFAARO CCN1CC[C@@]2(CN(C(=O)c3csc4c3CCCC4)CC[N@@H+]2C)CCC1=O ZINC000095503656 222336367 /nfs/dbraw/zinc/33/63/67/222336367.db2.gz SGKGJDPHFAKQRN-OAQYLSRUSA-N 1 0 389.565 2.786 50 0 GFAARO CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095504154 222336792 /nfs/dbraw/zinc/33/67/92/222336792.db2.gz GSKJBCSBKXXMLO-LJQANCHMSA-N 1 0 383.540 2.921 50 0 GFAARO COc1ccc(CN2CC(c3cccnc3)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095507731 222339997 /nfs/dbraw/zinc/33/99/97/222339997.db2.gz UUUJOXVFIXUYHM-OAQYLSRUSA-N 1 0 397.519 2.525 50 0 GFAARO CN(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000095512897 222342071 /nfs/dbraw/zinc/34/20/71/222342071.db2.gz YAAWCXNDHXPZFC-FQEVSTJZSA-N 1 0 380.492 2.827 50 0 GFAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)CCC1=O ZINC000095513187 222342308 /nfs/dbraw/zinc/34/23/08/222342308.db2.gz JDNBZLLXBVBYGJ-HSZRJFAPSA-N 1 0 394.519 2.641 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095511585 222342973 /nfs/dbraw/zinc/34/29/73/222342973.db2.gz JXHUUOZEPIOAEA-KRWDZBQOSA-N 1 0 384.480 2.583 50 0 GFAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cnco3)CC2)CC1 ZINC000095516908 222343426 /nfs/dbraw/zinc/34/34/26/222343426.db2.gz SZMDNGFTUISVAR-UHFFFAOYSA-N 1 0 397.523 2.518 50 0 GFAARO Cc1ccc(C(=O)N2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)cc1Cl ZINC000077458013 222283435 /nfs/dbraw/zinc/28/34/35/222283435.db2.gz ASKJVCDKMXXPFC-UHFFFAOYSA-N 1 0 379.888 2.637 50 0 GFAARO CC(C)(C)C(=O)Cn1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000078964419 222299029 /nfs/dbraw/zinc/29/90/29/222299029.db2.gz MIQBQEIFIRJVRB-UHFFFAOYSA-N 1 0 397.523 2.809 50 0 GFAARO CC(C)C[C@@H](CNC(=O)NCc1nnc2n1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000078974048 222300430 /nfs/dbraw/zinc/30/04/30/222300430.db2.gz FBIFOPNODQQNCO-WMZOPIPTSA-N 1 0 384.528 2.789 50 0 GFAARO COC[C@](C)(CCO)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000079025842 222301707 /nfs/dbraw/zinc/30/17/07/222301707.db2.gz MOEZMGAEBCFYAW-IBGZPJMESA-N 1 0 380.872 2.593 50 0 GFAARO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000079474092 222305176 /nfs/dbraw/zinc/30/51/76/222305176.db2.gz SAFKUIUZYFNLQU-SFHVURJKSA-N 1 0 399.560 2.629 50 0 GFAARO [NH3+][C@@H]1CCN(C(=O)CSc2cn(Cc3ccccc3)c3ccccc23)C[C@H]1O ZINC000082137036 222310360 /nfs/dbraw/zinc/31/03/60/222310360.db2.gz DGYAUUMXNPOHKY-UYAOXDASSA-N 1 0 395.528 2.702 50 0 GFAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc2c(c1)CCO2 ZINC000096025843 222372446 /nfs/dbraw/zinc/37/24/46/222372446.db2.gz GFQDXAXHCPJBQX-UHFFFAOYSA-N 1 0 392.546 2.874 50 0 GFAARO Cc1ccc(C)c([C@@H](C)NC(=O)CSc2nnc(C3CC[NH2+]CC3)n2C)c1 ZINC000426535911 533712394 /nfs/dbraw/zinc/71/23/94/533712394.db2.gz PYDNNLXYRPIQKJ-OAHLLOKOSA-N 1 0 387.553 2.868 50 0 GFAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1 ZINC000426431371 534635943 /nfs/dbraw/zinc/63/59/43/534635943.db2.gz RPBPXHHAMAHXBY-MRXNPFEDSA-N 1 0 376.888 2.959 50 0 GFAARO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 ZINC000426740550 527742168 /nfs/dbraw/zinc/74/21/68/527742168.db2.gz NSSUEHDRMYOLNH-SFHVURJKSA-N 1 0 386.517 2.732 50 0 GFAARO CC(C)n1cc(CNC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000426478008 528564695 /nfs/dbraw/zinc/56/46/95/528564695.db2.gz NEFRAVDYJQQUII-UHFFFAOYSA-N 1 0 381.524 2.849 50 0 GFAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000019872256 551115252 /nfs/dbraw/zinc/11/52/52/551115252.db2.gz LIKRUJRMODFVBT-UHFFFAOYSA-N 1 0 389.304 2.982 50 0 GFAARO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182028536 552273240 /nfs/dbraw/zinc/27/32/40/552273240.db2.gz KFGXKXCILYAQDN-ZDUSSCGKSA-N 1 0 377.432 2.739 50 0 GFAARO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCn2ccnc2C1 ZINC000225671966 553060072 /nfs/dbraw/zinc/06/00/72/553060072.db2.gz SXFMMNLCEIYSLS-CYBMUJFWSA-N 1 0 377.286 2.779 50 0 GFAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000238058321 553085644 /nfs/dbraw/zinc/08/56/44/553085644.db2.gz YERDJMDMHJOSMH-SECBINFHSA-N 1 0 387.221 2.580 50 0 GFAARO COCCN1C[C@H](C[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)CC1=O ZINC000299782807 563390810 /nfs/dbraw/zinc/39/08/10/563390810.db2.gz GKYFMQCRYDMWDT-AWEZNQCLSA-N 1 0 386.323 2.610 50 0 GFAARO O=C(CC[NH2+]C1CCN([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000655704525 566082623 /nfs/dbraw/zinc/08/26/23/566082623.db2.gz DYCQDTKVXBFYMR-KRWDZBQOSA-N 1 0 396.329 2.621 50 0 GFAARO COc1ccc(F)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019730743 570211558 /nfs/dbraw/zinc/21/15/58/570211558.db2.gz CUHJTEVIGVYYIS-FQEVSTJZSA-N 1 0 393.547 2.576 50 0 GFAARO O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CC[NH2+]CC1)c1ccccc1 ZINC000019810987 570221203 /nfs/dbraw/zinc/22/12/03/570221203.db2.gz DFHHBGRWPZJXGB-VXKWHMMOSA-N 1 0 393.512 2.819 50 0 GFAARO O[C@H](CSc1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019834919 570223594 /nfs/dbraw/zinc/22/35/94/570223594.db2.gz VBYATBPADKESOY-SFHVURJKSA-N 1 0 386.517 2.686 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019889898 570228010 /nfs/dbraw/zinc/22/80/10/570228010.db2.gz YJXDCYFODFWQFP-HOTGVXAUSA-N 1 0 378.513 2.786 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000048355682 570244006 /nfs/dbraw/zinc/24/40/06/570244006.db2.gz KVFDSAKGIBYHST-MRXNPFEDSA-N 1 0 377.554 2.981 50 0 GFAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2CC[NH+](C3CCCCC3)CC2)on1 ZINC000097594817 570247172 /nfs/dbraw/zinc/24/71/72/570247172.db2.gz WXOOUDYFBYTRGB-XLIONFOSSA-N 1 0 375.513 2.701 50 0 GFAARO CC[C@@H]1CN(C(=O)c2ccc(N(CC)Cc3cnn(C)c3)nc2)CC[N@@H+]1C(C)C ZINC000020203645 570247343 /nfs/dbraw/zinc/24/73/43/570247343.db2.gz HNEZDHVOFIFHMZ-HXUWFJFHSA-N 1 0 398.555 2.786 50 0 GFAARO Cc1cccc([C@@H](CNC(=O)CCn2c(CO)nc3ccccc32)[NH+](C)C)c1 ZINC000097776147 570255338 /nfs/dbraw/zinc/25/53/38/570255338.db2.gz PVHPWDGLXLDIDN-HXUWFJFHSA-N 1 0 380.492 2.646 50 0 GFAARO CCOc1cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)ccc1O ZINC000020450039 570256249 /nfs/dbraw/zinc/25/62/49/570256249.db2.gz YNCBXANLVPLPJT-KRWDZBQOSA-N 1 0 376.522 2.921 50 0 GFAARO COc1ccc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cc1Cn1cccn1 ZINC000104385520 570257999 /nfs/dbraw/zinc/25/79/99/570257999.db2.gz GYORVKNPBVBPPT-JOCHJYFZSA-N 1 0 398.551 2.775 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000020565906 570268017 /nfs/dbraw/zinc/26/80/17/570268017.db2.gz DMDCLRFIYHUMCD-UJKGCTCZSA-N 1 0 389.883 2.517 50 0 GFAARO COc1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)c(C)c1C ZINC000020906583 570284208 /nfs/dbraw/zinc/28/42/08/570284208.db2.gz YJCRQXKIKLWMBP-FGZHOGPDSA-N 1 0 383.536 2.817 50 0 GFAARO CCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)ncn1 ZINC000249694621 570321661 /nfs/dbraw/zinc/32/16/61/570321661.db2.gz PFZIMRSKCBKQAP-ZWKOTPCHSA-N 1 0 388.560 2.506 50 0 GFAARO CCc1csc([C@H]2CCCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)n1 ZINC000237114367 570328921 /nfs/dbraw/zinc/32/89/21/570328921.db2.gz JRZNTAYLNSXLJP-AWEZNQCLSA-N 1 0 388.541 2.550 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)c2c1 ZINC000004090853 570356914 /nfs/dbraw/zinc/35/69/14/570356914.db2.gz LNPGETLWPJAHAS-HXUWFJFHSA-N 1 0 393.443 2.649 50 0 GFAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(OC(F)(F)F)cc1 ZINC000004324503 570367966 /nfs/dbraw/zinc/36/79/66/570367966.db2.gz YQCDAXIANIPBDK-ZDUSSCGKSA-N 1 0 385.338 2.843 50 0 GFAARO CC[NH+](CC)[C@@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1ccccc1 ZINC000024943452 570369508 /nfs/dbraw/zinc/36/95/08/570369508.db2.gz TVVMLOAVVGBRJK-IBGZPJMESA-N 1 0 395.459 2.560 50 0 GFAARO Cc1nn(Cc2ccccc2)c(Cl)c1CNCCC[NH+]1CCC(O)CC1 ZINC000237655049 570388262 /nfs/dbraw/zinc/38/82/62/570388262.db2.gz UKGQBGPSNMZYNB-UHFFFAOYSA-N 1 0 376.932 2.830 50 0 GFAARO CN1CCC[N@H+](C)CC12CCN(C(=O)CCSCc1ccccc1)CC2 ZINC000221360803 570394135 /nfs/dbraw/zinc/39/41/35/570394135.db2.gz QOXXSRVDGJJQFI-UHFFFAOYSA-N 1 0 375.582 2.938 50 0 GFAARO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc(I)cc1 ZINC000004723374 570397930 /nfs/dbraw/zinc/39/79/30/570397930.db2.gz XIFNHAZJYIVXCK-CQSZACIVSA-N 1 0 398.244 2.845 50 0 GFAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)C[C@H](C)O1 ZINC000024924280 570398619 /nfs/dbraw/zinc/39/86/19/570398619.db2.gz FUSHYTUXGOFIJZ-HOTGVXAUSA-N 1 0 385.464 2.761 50 0 GFAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000051449894 570402855 /nfs/dbraw/zinc/40/28/55/570402855.db2.gz IVPZAELTOXFLLW-IBGZPJMESA-N 1 0 389.540 2.522 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(F)c1 ZINC000027594548 570437407 /nfs/dbraw/zinc/43/74/07/570437407.db2.gz LENBNVUKJOMHGX-FUHWJXTLSA-N 1 0 387.455 2.690 50 0 GFAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000248087492 570439036 /nfs/dbraw/zinc/43/90/36/570439036.db2.gz BOOCVYNAIUOAHD-JZXOWHBKSA-N 1 0 394.537 2.604 50 0 GFAARO CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871764 570468822 /nfs/dbraw/zinc/46/88/22/570468822.db2.gz PIMQXHKZXYBFLB-RBBKRZOGSA-N 1 0 397.494 2.834 50 0 GFAARO COc1ccc(NC(=O)c2nnc(CN(CCO)[C@@H]3CC[C@@H](C)C3)s2)cc1 ZINC000252527926 570476530 /nfs/dbraw/zinc/47/65/30/570476530.db2.gz DSHSBABRMKTSKS-UKRRQHHQSA-N 1 0 390.509 2.782 50 0 GFAARO COc1ccc(NC(=O)c2nnc(CN(CCO)[C@H]3CC[C@@H](C)C3)s2)cc1 ZINC000252527925 570476698 /nfs/dbraw/zinc/47/66/98/570476698.db2.gz DSHSBABRMKTSKS-HIFRSBDPSA-N 1 0 390.509 2.782 50 0 GFAARO COCC[N@H+](C)C[C@H]1CCCN1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000072291964 570484558 /nfs/dbraw/zinc/48/45/58/570484558.db2.gz WSBRVSMVKAYGAI-CTNGQTDRSA-N 1 0 379.520 2.682 50 0 GFAARO O=C(CCNC(=O)c1ccc(Cl)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030320091 570488586 /nfs/dbraw/zinc/48/85/86/570488586.db2.gz LJJQDBQJMKZDMB-UHFFFAOYSA-N 1 0 385.895 2.634 50 0 GFAARO C[C@H]1CCc2c(sc3nc(SCC[NH+]4CCCCC4)n(N)c(=O)c32)C1 ZINC000036646186 570567496 /nfs/dbraw/zinc/56/74/96/570567496.db2.gz HODAKYUFURCYBF-LBPRGKRZSA-N 1 0 378.567 2.875 50 0 GFAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000225436808 570574210 /nfs/dbraw/zinc/57/42/10/570574210.db2.gz ABHDRSYJQHRDQR-RJYAGPCLSA-N 1 0 375.488 2.713 50 0 GFAARO CCOc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000039468275 570592219 /nfs/dbraw/zinc/59/22/19/570592219.db2.gz MCFOOHKBCRHZNV-JOCHJYFZSA-N 1 0 389.584 2.827 50 0 GFAARO CC[C@H](C)[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040722010 570606462 /nfs/dbraw/zinc/60/64/62/570606462.db2.gz VISJZEZZQZJOPZ-BTYIYWSLSA-N 1 0 383.492 2.878 50 0 GFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(=O)n3c4ccccc4nc3s2)C1 ZINC000033008865 570620541 /nfs/dbraw/zinc/62/05/41/570620541.db2.gz ZRNLICKXNFSHQK-CQSZACIVSA-N 1 0 384.505 2.761 50 0 GFAARO O=C(CN(CCCc1ccccc1)C(=O)c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000033032672 570669691 /nfs/dbraw/zinc/66/96/91/570669691.db2.gz XVSMXLDNNFEWRZ-UHFFFAOYSA-N 1 0 399.922 2.847 50 0 GFAARO COCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000012479284 570674184 /nfs/dbraw/zinc/67/41/84/570674184.db2.gz DBBQRAPKZRHYRN-OAQYLSRUSA-N 1 0 376.497 2.555 50 0 GFAARO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238142161 570679181 /nfs/dbraw/zinc/67/91/81/570679181.db2.gz IGCFUOWWCOPLJM-FPOVZHCZSA-N 1 0 379.504 2.534 50 0 GFAARO O=C(CSc1ccncc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055052770 570680224 /nfs/dbraw/zinc/68/02/24/570680224.db2.gz FACHVKDWMXLWLA-FQEVSTJZSA-N 1 0 396.560 2.987 50 0 GFAARO Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)n1 ZINC000238950620 570680402 /nfs/dbraw/zinc/68/04/02/570680402.db2.gz ZALXBUPLKWCELC-HSALFYBXSA-N 1 0 385.556 2.691 50 0 GFAARO Cc1noc(C)c1CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055386596 570693965 /nfs/dbraw/zinc/69/39/65/570693965.db2.gz LTYXNFCUCAXSSG-FQEVSTJZSA-N 1 0 396.535 2.956 50 0 GFAARO COc1ccccc1C1=NO[C@@](C)(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000222283838 570709094 /nfs/dbraw/zinc/70/90/94/570709094.db2.gz GBQWSWCKMRPAKU-DENIHFKCSA-N 1 0 381.476 2.997 50 0 GFAARO COCCn1nc(C)c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000058172224 570715282 /nfs/dbraw/zinc/71/52/82/570715282.db2.gz RLHOWUHIRFGIKZ-FQEVSTJZSA-N 1 0 393.576 2.846 50 0 GFAARO CCC1CC[NH+](C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067563182 570782029 /nfs/dbraw/zinc/78/20/29/570782029.db2.gz QXSIRQXJKXHYEN-NRFANRHFSA-N 1 0 378.488 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GFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)C1 ZINC000015677577 221339804 /nfs/dbraw/zinc/33/98/04/221339804.db2.gz YMUTUEJHHBYRNC-MRXNPFEDSA-N 1 0 382.508 2.585 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770104 221343385 /nfs/dbraw/zinc/34/33/85/221343385.db2.gz CFFKGJNREFJKEX-UHFFFAOYSA-N 1 0 375.542 2.756 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(F)cc(F)c2)C3)CC1 ZINC000015779589 221344498 /nfs/dbraw/zinc/34/44/98/221344498.db2.gz FPMHCHNDEHNSEZ-UHFFFAOYSA-N 1 0 387.478 2.845 50 0 GFAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770414 221344954 /nfs/dbraw/zinc/34/49/54/221344954.db2.gz FDOSZGFGGXEUNR-MRXNPFEDSA-N 1 0 387.553 2.900 50 0 GFAARO Cc1ccn2c(=O)cc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)nc2c1 ZINC000016396478 221362305 /nfs/dbraw/zinc/36/23/05/221362305.db2.gz XBKWFAGBYLSSBE-UHFFFAOYSA-N 1 0 390.487 2.531 50 0 GFAARO CC(C)N(CC(N)=O)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000016419686 221362461 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C[C@H]1CCC(=O)N1c1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000097619033 136188554 /nfs/dbraw/zinc/18/85/54/136188554.db2.gz QSTBPVXMELDDCQ-INIZCTEOSA-N 1 0 379.464 2.951 50 0 GFAARO O=C(c1ccccc1F)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697931 136199774 /nfs/dbraw/zinc/19/97/74/136199774.db2.gz OWECFLQQAWEOBD-UHFFFAOYSA-N 1 0 378.411 2.717 50 0 GFAARO CCOC(=O)c1c2c(sc1NC(=O)CCN1CC[NH+](CC)CC1)CCCC2 ZINC000021487216 221532420 /nfs/dbraw/zinc/53/24/20/221532420.db2.gz GSHKVDUXXLVHLJ-UHFFFAOYSA-N 1 0 393.553 2.770 50 0 GFAARO COC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3cccnc3)c2)CC1 ZINC000023582051 221600902 /nfs/dbraw/zinc/60/09/02/221600902.db2.gz PVASGPNSVLGNTI-QGZVFWFLSA-N 1 0 383.492 2.890 50 0 GFAARO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)[NH+](C)C ZINC000030611210 221701582 /nfs/dbraw/zinc/70/15/82/221701582.db2.gz RKSGBIFRANEPQC-LJQANCHMSA-N 1 0 384.524 2.829 50 0 GFAARO C[C@@H]1CCc2sc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2C1 ZINC000032891506 221743485 /nfs/dbraw/zinc/74/34/85/221743485.db2.gz NQEATEGCMVEISV-OAHLLOKOSA-N 1 0 384.549 2.950 50 0 GFAARO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000056071089 222025670 /nfs/dbraw/zinc/02/56/70/222025670.db2.gz WIRGJEKONRTTCM-QZTJIDSGSA-N 1 0 379.570 2.772 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CN3CCSC3=O)cc2)C1 ZINC000048310371 221986385 /nfs/dbraw/zinc/98/63/85/221986385.db2.gz JKTKIYZPFAXCQE-HOTGVXAUSA-N 1 0 375.538 2.950 50 0 GFAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(-n2cnnn2)c1C ZINC000049545198 222000660 /nfs/dbraw/zinc/00/06/60/222000660.db2.gz NHDBAYKYPIEIKK-UHFFFAOYSA-N 1 0 390.491 2.674 50 0 GFAARO O=C(CN1CCC[N@H+](CC2CCCCC2)CC1)NC(=O)NCc1ccccc1 ZINC000054318156 222013607 /nfs/dbraw/zinc/01/36/07/222013607.db2.gz NEQLEHKVYQDYRR-UHFFFAOYSA-N 1 0 386.540 2.600 50 0 GFAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3ccc(CSc4nc[nH]n4)o3)C2)C1 ZINC000055325497 222019448 /nfs/dbraw/zinc/01/94/48/222019448.db2.gz XYBLHSPLTQFALX-SFHVURJKSA-N 1 0 375.498 2.638 50 0 GFAARO CC[NH+](CC)Cc1ccccc1NC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000058086208 222039175 /nfs/dbraw/zinc/03/91/75/222039175.db2.gz XIMCYHXAVHQTKU-UHFFFAOYSA-N 1 0 379.468 2.826 50 0 GFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000058264646 222047806 /nfs/dbraw/zinc/04/78/06/222047806.db2.gz YHLBBWPBTZREAD-IBGZPJMESA-N 1 0 376.501 2.513 50 0 GFAARO C[C@@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[NH+]1CCCCC1 ZINC000058405536 222052699 /nfs/dbraw/zinc/05/26/99/222052699.db2.gz JAKCPTIFMQUYSZ-JKSUJKDBSA-N 1 0 380.483 2.965 50 0 GFAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)cc(OC)c1 ZINC000064382214 222071232 /nfs/dbraw/zinc/07/12/32/222071232.db2.gz XFAUCXDPIWLJFM-KRWDZBQOSA-N 1 0 392.496 2.584 50 0 GFAARO C[NH2+]C1CCN(C(=O)C[C@@]2(Cc3ccccc3)c3ccccc3N(C)C2=O)CC1 ZINC000071751208 222189115 /nfs/dbraw/zinc/18/91/15/222189115.db2.gz YNSXSLIQPUHYEG-DEOSSOPVSA-N 1 0 391.515 2.744 50 0 GFAARO O=C(C[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)NCc1ccccc1F ZINC000065395723 222127116 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Cc1nc(CN2C(=O)N[C@](CCCc3ccccc3)(C3CC[NH2+]CC3)C2=O)co1 ZINC000067677625 222154334 /nfs/dbraw/zinc/15/43/34/222154334.db2.gz MDDQCYFORJBGNN-JOCHJYFZSA-N 1 0 396.491 2.796 50 0 GFAARO O=C(CCc1ccncc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067803390 222159172 /nfs/dbraw/zinc/15/91/72/222159172.db2.gz RLTYYQWBPGZELX-QFIPXVFZSA-N 1 0 378.520 2.827 50 0 GFAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCCn1cnnn1)C2 ZINC000067841377 222160900 /nfs/dbraw/zinc/16/09/00/222160900.db2.gz DTPSDONVFLWZGD-UHFFFAOYSA-N 1 0 385.855 2.984 50 0 GFAARO C[NH+](C)CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067805055 222161684 /nfs/dbraw/zinc/16/16/84/222161684.db2.gz VQTONSCHSMQMJY-GOSISDBHSA-N 1 0 393.535 2.527 50 0 GFAARO O=S1(=O)CC[C@@H](n2cc(C3=CC[N@H+](CCCc4ccccc4)CC3)cn2)C1 ZINC000067841531 222164237 /nfs/dbraw/zinc/16/42/37/222164237.db2.gz ICTANZGXTJWSTO-OAQYLSRUSA-N 1 0 385.533 2.965 50 0 GFAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3cc(C)cc(C)n3)cnn2c1 ZINC000067974245 222170028 /nfs/dbraw/zinc/17/00/28/222170028.db2.gz AWILICRZSVIPCJ-UHFFFAOYSA-N 1 0 380.496 2.855 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000071754306 222191049 /nfs/dbraw/zinc/19/10/49/222191049.db2.gz BVAUFKHNVCBCHX-JOCHJYFZSA-N 1 0 399.579 2.594 50 0 GFAARO CC(C)[C@H]1CN(C(=O)Cn2ccccc2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071715143 222188120 /nfs/dbraw/zinc/18/81/20/222188120.db2.gz IRYKDPCRXXRFAX-HXUWFJFHSA-N 1 0 385.483 2.747 50 0 GFAARO CN(C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O)C1CC[NH2+]CC1 ZINC000071774412 222196186 /nfs/dbraw/zinc/19/61/86/222196186.db2.gz AHTSDOAIEBDHHW-XMMPIXPASA-N 1 0 391.515 2.744 50 0 GFAARO Cn1nc(-c2ccccc2)c2cc(C(=O)NC[C@]3(O)CCC[NH2+]CC3)sc21 ZINC000072158448 222212283 /nfs/dbraw/zinc/21/22/83/222212283.db2.gz WQIRTJGYUFDVOQ-FQEVSTJZSA-N 1 0 384.505 2.536 50 0 GFAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000072154529 222212382 /nfs/dbraw/zinc/21/23/82/222212382.db2.gz ZCOFYWNILHTXAN-IBGZPJMESA-N 1 0 381.524 2.832 50 0 GFAARO Cc1nnc(SCCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)s1 ZINC000072425882 222258984 /nfs/dbraw/zinc/25/89/84/222258984.db2.gz UIMRHYCTTXBFSW-UHFFFAOYSA-N 1 0 375.527 2.582 50 0 GFAARO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2=O)c1OC ZINC000072440683 222260817 /nfs/dbraw/zinc/26/08/17/222260817.db2.gz QCAQJEVIPLLEJA-JOCHJYFZSA-N 1 0 388.508 2.697 50 0 GFAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000071754794 222191651 /nfs/dbraw/zinc/19/16/51/222191651.db2.gz FPMVORUADNNPCV-FQEVSTJZSA-N 1 0 396.535 2.976 50 0 GFAARO C[C@H]([NH3+])C(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000095518639 222345053 /nfs/dbraw/zinc/34/50/53/222345053.db2.gz NMWWJTUCKJKHJZ-ZDUSSCGKSA-N 1 0 385.430 2.688 50 0 GFAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000095499846 222333490 /nfs/dbraw/zinc/33/34/90/222333490.db2.gz AJPIUJWPOXMYNW-CQSZACIVSA-N 1 0 391.475 2.754 50 0 GFAARO COc1cccc2c1OC[C@H](C[NH2+]C1CCN(C(=O)c3cccnc3)CC1)C2 ZINC000095508215 222340498 /nfs/dbraw/zinc/34/04/98/222340498.db2.gz NNYZAPGUEFMHPQ-INIZCTEOSA-N 1 0 381.476 2.536 50 0 GFAARO COCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511174 222342014 /nfs/dbraw/zinc/34/20/14/222342014.db2.gz XHOYGCURVJJWHA-IBGZPJMESA-N 1 0 378.488 2.692 50 0 GFAARO O=C(CC[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1)N1CCCC1 ZINC000077486188 222282761 /nfs/dbraw/zinc/28/27/61/222282761.db2.gz QVKDAWZAVPHNTE-UHFFFAOYSA-N 1 0 385.508 2.528 50 0 GFAARO Cc1cccnc1CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000077471082 222283846 /nfs/dbraw/zinc/28/38/46/222283846.db2.gz FNUHULRXYACWNT-UHFFFAOYSA-N 1 0 378.520 2.944 50 0 GFAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCCc1ccccc1 ZINC000079479143 222305846 /nfs/dbraw/zinc/30/58/46/222305846.db2.gz RRHWTSYAADLIPD-UHFFFAOYSA-N 1 0 384.476 2.754 50 0 GFAARO CCC[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nc(COC)cc(=O)[nH]3)cc2)C1 ZINC000082039444 222306295 /nfs/dbraw/zinc/30/62/95/222306295.db2.gz UFQQSTYOCDPKOK-JOCHJYFZSA-N 1 0 385.508 2.958 50 0 GFAARO Cc1coc(-c2cccc(NC(=O)C(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c2)n1 ZINC000084265443 222314351 /nfs/dbraw/zinc/31/43/51/222314351.db2.gz RMLQWTVADKREJP-GOSISDBHSA-N 1 0 384.480 2.921 50 0 GFAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCc3ccccc3C1)CC2 ZINC000095520636 222346805 /nfs/dbraw/zinc/34/68/05/222346805.db2.gz YUBVNGPCRUNYBF-IBGZPJMESA-N 1 0 378.520 2.911 50 0 GFAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](OC)c1ccccc1)CC2 ZINC000095521542 222347388 /nfs/dbraw/zinc/34/73/88/222347388.db2.gz OCYRHARKHATIOM-IBGZPJMESA-N 1 0 382.508 2.883 50 0 GFAARO O=C(c1ccc(CSc2nc[nH]n2)o1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095524672 222348018 /nfs/dbraw/zinc/34/80/18/222348018.db2.gz DJPRGBBSFSZGEM-HUUCEWRRSA-N 1 0 387.509 2.636 50 0 GFAARO O=C(c1cccc(=O)[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095530215 222353456 /nfs/dbraw/zinc/35/34/56/222353456.db2.gz HDOVXVYEMFRHSN-IBGZPJMESA-N 1 0 387.524 2.651 50 0 GFAARO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095957377 222364166 /nfs/dbraw/zinc/36/41/66/222364166.db2.gz BCHKSCLZJLZPLQ-IBGZPJMESA-N 1 0 389.565 2.960 50 0 GFAARO COc1ccc(-c2noc(CN3CCN(CCC[NH+]4CCCCC4)CC3)n2)cc1 ZINC000095954723 222364240 /nfs/dbraw/zinc/36/42/40/222364240.db2.gz AXMSEUYVIIYQJF-UHFFFAOYSA-N 1 0 399.539 2.739 50 0 GFAARO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095996236 222369630 /nfs/dbraw/zinc/36/96/30/222369630.db2.gz MJDPOLMLHCBTDE-HOTGVXAUSA-N 1 0 377.533 2.925 50 0 GFAARO C[C@@H](O)CNC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000426571630 533706385 /nfs/dbraw/zinc/70/63/85/533706385.db2.gz PGJKMAJOOUUCRY-LJQANCHMSA-N 1 0 381.520 2.900 50 0 GFAARO Cc1nc2sccn2c1CN1CC[N@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000023153311 527209969 /nfs/dbraw/zinc/20/99/69/527209969.db2.gz JYCYWVVUZMNXRS-IBGZPJMESA-N 1 0 384.549 2.816 50 0 GFAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@H+](CCN4CCOCC4)C3)C2=O)cc1 ZINC000426485749 528092425 /nfs/dbraw/zinc/09/24/25/528092425.db2.gz MVHJMZUSWOLJIG-XMMPIXPASA-N 1 0 399.579 2.957 50 0 GFAARO CCN1CCN(C(=O)c2ccc(-c3ccc(-c4c[nH]c(N)[nH+]4)cc3)cc2)CC1 ZINC000426590034 529134365 /nfs/dbraw/zinc/13/43/65/529134365.db2.gz TZCDPFCKIYCMNC-UHFFFAOYSA-N 1 0 375.476 2.934 50 0 GFAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072150887 535193901 /nfs/dbraw/zinc/19/39/01/535193901.db2.gz GIVBMTMKDJFECV-QGZVFWFLSA-N 1 0 398.473 2.556 50 0 GFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2I)N1 ZINC000003191217 551092374 /nfs/dbraw/zinc/09/23/74/551092374.db2.gz ZIEFQHVDLKTUHH-ZDUSSCGKSA-N 1 0 389.200 2.737 50 0 GFAARO O=C(CSc1nnc([C@@H]2CCC[NH2+]2)o1)Nc1ccc(Br)cc1 ZINC000005160495 551096625 /nfs/dbraw/zinc/09/66/25/551096625.db2.gz QXKVJNDRWJHCEV-NSHDSACASA-N 1 0 383.271 2.987 50 0 GFAARO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000179162108 552186253 /nfs/dbraw/zinc/18/62/53/552186253.db2.gz OWVHGOAAYZVWDP-GIYNXVAASA-N 1 0 387.343 2.546 50 0 GFAARO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000229646407 553064568 /nfs/dbraw/zinc/06/45/68/553064568.db2.gz WSFUKHIVBRCTJR-STQMWFEESA-N 1 0 380.432 2.907 50 0 GFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000237372927 553077224 /nfs/dbraw/zinc/07/72/24/553077224.db2.gz MOYFLEUMNBMJNY-OLZOCXBDSA-N 1 0 377.286 2.834 50 0 GFAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000237628306 553080002 /nfs/dbraw/zinc/08/00/02/553080002.db2.gz JHEZJMHQFSVDED-SMDDNHRTSA-N 1 0 377.286 2.895 50 0 GFAARO OC[C@@]1([C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C2CC2)CCCO1 ZINC000529580551 564843252 /nfs/dbraw/zinc/84/32/52/564843252.db2.gz MMFGELVXFDKIKD-LSDHHAIUSA-N 1 0 375.694 2.907 50 0 GFAARO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000652383155 565927508 /nfs/dbraw/zinc/92/75/08/565927508.db2.gz BLNLQIDEWVEPPW-UTUOFQBUSA-N 1 0 398.472 2.816 50 0 GFAARO COCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000096131600 570211047 /nfs/dbraw/zinc/21/10/47/570211047.db2.gz DTKTTWCQHZIYCW-UHFFFAOYSA-N 1 0 383.876 2.703 50 0 GFAARO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1OC ZINC000019741070 570212790 /nfs/dbraw/zinc/21/27/90/570212790.db2.gz YHGVFJXRBUYGJU-HXUWFJFHSA-N 1 0 386.540 2.929 50 0 GFAARO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000048288892 570228409 /nfs/dbraw/zinc/22/84/09/570228409.db2.gz AIINKCQZJISZLU-MOPGFXCFSA-N 1 0 376.472 2.777 50 0 GFAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCN2CCCO2)Cc2ccccc2C1 ZINC000020203445 570247280 /nfs/dbraw/zinc/24/72/80/570247280.db2.gz IHPJJIQTMCBBAG-UHFFFAOYSA-N 1 0 393.531 2.800 50 0 GFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000097642313 570248591 /nfs/dbraw/zinc/24/85/91/570248591.db2.gz OCGKQFICRHCSKS-SFHVURJKSA-N 1 0 375.476 2.999 50 0 GFAARO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104346520 570257076 /nfs/dbraw/zinc/25/70/76/570257076.db2.gz ZWWMXKYZVONICI-GOSISDBHSA-N 1 0 381.511 2.706 50 0 GFAARO CSCCCN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000020454577 570258217 /nfs/dbraw/zinc/25/82/17/570258217.db2.gz DLLMZVTUVYRSGA-UHFFFAOYSA-N 1 0 390.597 2.627 50 0 GFAARO COc1cccc(CN2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)c1 ZINC000104451274 570258733 /nfs/dbraw/zinc/25/87/33/570258733.db2.gz HQIHRGCOJNMVAW-GOSISDBHSA-N 1 0 398.532 2.769 50 0 GFAARO COc1ccccc1-n1cc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cn1 ZINC000020543117 570267341 /nfs/dbraw/zinc/26/73/41/570267341.db2.gz LWZAJAIQQQRWBS-UHFFFAOYSA-N 1 0 388.431 2.947 50 0 GFAARO OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1CCCc1ccccc1 ZINC000020600136 570269915 /nfs/dbraw/zinc/26/99/15/570269915.db2.gz AIPZATLZPMRPKD-JOCHJYFZSA-N 1 0 396.531 2.959 50 0 GFAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(OC)cc1)Cc1ccccc1 ZINC000024688161 570279046 /nfs/dbraw/zinc/27/90/46/570279046.db2.gz UHPBMEBUYLAJHW-GOSISDBHSA-N 1 0 376.522 2.927 50 0 GFAARO C[NH+](C)Cc1ccc(CSCCNC(=O)[C@@H]2COc3ccccc3O2)o1 ZINC000215488468 570289306 /nfs/dbraw/zinc/28/93/06/570289306.db2.gz XHPNBRDPEAINCK-SFHVURJKSA-N 1 0 376.478 2.531 50 0 GFAARO C[NH+](C)CCNC(=O)c1csc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000034669007 570292972 /nfs/dbraw/zinc/29/29/72/570292972.db2.gz JLDVGPMFCPBSEJ-UHFFFAOYSA-N 1 0 386.565 2.889 50 0 GFAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000007015580 570308528 /nfs/dbraw/zinc/30/85/28/570308528.db2.gz KWJXCYJYZRCLLJ-XCLLZBPDSA-N 1 0 389.492 2.780 50 0 GFAARO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(OC)c1 ZINC000053474346 570323487 /nfs/dbraw/zinc/32/34/87/570323487.db2.gz OLZWVTCHCIYKKT-UHFFFAOYSA-N 1 0 383.492 2.945 50 0 GFAARO CCCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1OCC ZINC000022693354 570324937 /nfs/dbraw/zinc/32/49/37/570324937.db2.gz ZORFZBGVJABIAI-SFHVURJKSA-N 1 0 378.513 2.961 50 0 GFAARO Cc1ccc2[nH]c(SCC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000022733669 570325534 /nfs/dbraw/zinc/32/55/34/570325534.db2.gz UCHHZIOSTRZTJI-GASCZTMLSA-N 1 0 376.526 2.579 50 0 GFAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000023358854 570356033 /nfs/dbraw/zinc/35/60/33/570356033.db2.gz DXVFWCPUZKZJSK-GOTSBHOMSA-N 1 0 394.563 2.647 50 0 GFAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000090608995 570384623 /nfs/dbraw/zinc/38/46/23/570384623.db2.gz AYOPFMHGRHXACI-OAHLLOKOSA-N 1 0 396.500 2.904 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c2c1 ZINC000004728059 570398621 /nfs/dbraw/zinc/39/86/21/570398621.db2.gz WIZBQZWWHWFZPW-IBGZPJMESA-N 1 0 381.407 2.780 50 0 GFAARO Cc1ccc(N2C[C@@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000024986051 570401672 /nfs/dbraw/zinc/40/16/72/570401672.db2.gz MKDURPPZCDICKN-FQEVSTJZSA-N 1 0 379.504 2.986 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccsc1 ZINC000025332038 570411332 /nfs/dbraw/zinc/41/13/32/570411332.db2.gz GXERFDZJDDMCOE-GOEBONIOSA-N 1 0 375.494 2.612 50 0 GFAARO COc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1OC ZINC000032951854 570428134 /nfs/dbraw/zinc/42/81/34/570428134.db2.gz AOXXQVIMUYOSSA-UHFFFAOYSA-N 1 0 396.553 2.836 50 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GFAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000269611165 570629516 /nfs/dbraw/zinc/62/95/16/570629516.db2.gz FGLUKKMWZYHERX-NXEZZACHSA-N 1 0 381.723 2.850 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc3O2)[NH+]2CCCC2)cc1 ZINC000033023389 570651319 /nfs/dbraw/zinc/65/13/19/570651319.db2.gz BPOZJBGPSLROCQ-WIYYLYMNSA-N 1 0 382.460 2.788 50 0 GFAARO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)oc(=O)n2C ZINC000241439888 570686585 /nfs/dbraw/zinc/68/65/85/570686585.db2.gz NNDCAHOMLCUQCB-KGLIPLIRSA-N 1 0 375.469 2.961 50 0 GFAARO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000242324452 570689085 /nfs/dbraw/zinc/68/90/85/570689085.db2.gz ZBLHEPLDAMITDE-GOSISDBHSA-N 1 0 375.513 2.882 50 0 GFAARO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058268697 570724113 /nfs/dbraw/zinc/72/41/13/570724113.db2.gz WBVINOVQWLEHIM-AWEZNQCLSA-N 1 0 387.452 2.775 50 0 GFAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000007005613 570736515 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O=S(=O)(NCC[NH+]1CCCCC1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000051136155 570848813 /nfs/dbraw/zinc/84/88/13/570848813.db2.gz CJAVFCGPFYSKPF-UHFFFAOYSA-N 1 0 386.464 2.980 50 0 GFAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014742251 570858347 /nfs/dbraw/zinc/85/83/47/570858347.db2.gz CTZHMCJJMQSMQR-UHFFFAOYSA-N 1 0 379.460 2.821 50 0 GFAARO Cn1ncc2c1nc(-c1cccnc1)nc2N1CCCN(c2cc[nH+]cc2)CC1 ZINC000072150094 570873093 /nfs/dbraw/zinc/87/30/93/570873093.db2.gz RQULYJZXQOIWLM-UHFFFAOYSA-N 1 0 386.463 2.537 50 0 GFAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)C1 ZINC000033264216 570882683 /nfs/dbraw/zinc/88/26/83/570882683.db2.gz SWDDXCGVMYMIIM-FQEVSTJZSA-N 1 0 386.540 2.811 50 0 GFAARO CC(C)CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299771028 570893924 /nfs/dbraw/zinc/89/39/24/570893924.db2.gz YLMWADRMNLMDBC-FQEVSTJZSA-N 1 0 378.488 2.942 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3c(F)cc(OC)cc3F)cc2C1 ZINC000299780285 570895302 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392.503 2.711 50 0 GFAARO COc1ccc(F)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1F ZINC000095355276 571051852 /nfs/dbraw/zinc/05/18/52/571051852.db2.gz FEOGZUBIGOTIOT-DZGCQCFKSA-N 1 0 380.435 2.689 50 0 GFAARO Cc1ccnn1CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095359217 571054073 /nfs/dbraw/zinc/05/40/73/571054073.db2.gz MXVHOMHGWOTDRB-KSEOMHKRSA-N 1 0 382.483 2.810 50 0 GFAARO CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095388616 571071545 /nfs/dbraw/zinc/07/15/45/571071545.db2.gz SFANMRCJHIMMAL-IBGZPJMESA-N 1 0 376.464 2.606 50 0 GFAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Cc3cc(C)no3)C2)cc1 ZINC000095509619 571081093 /nfs/dbraw/zinc/08/10/93/571081093.db2.gz ACBJMHMBIPEGFJ-LJQANCHMSA-N 1 0 385.508 2.947 50 0 GFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000408519185 231048996 /nfs/dbraw/zinc/04/89/96/231048996.db2.gz PSWDBAMFNDVVNK-BWFKNJDFSA-N 1 0 387.343 2.675 50 0 GFAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426399074 231214753 /nfs/dbraw/zinc/21/47/53/231214753.db2.gz RVXKKOUJOFHOKT-HXUWFJFHSA-N 1 0 396.539 2.579 50 0 GFAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCC(Oc2ccccc2F)CC1 ZINC000426405143 231214959 /nfs/dbraw/zinc/21/49/59/231214959.db2.gz MSBFJPGASUSRNA-INIZCTEOSA-N 1 0 386.471 2.559 50 0 GFAARO C[C@@H](NC(=O)NC1(C[NH+]2CCCC2)CCCCC1)[C@@H](O)c1ccc(O)cc1 ZINC000426719776 231255601 /nfs/dbraw/zinc/25/56/01/231255601.db2.gz BVGZUENHHSBGJH-VQIMIIECSA-N 1 0 375.513 2.912 50 0 GFAARO C[NH+]1CCC(N2CCN(C/C(Cl)=C/c3ccccc3)C[C@H]2CCO)CC1 ZINC000105276482 530049726 /nfs/dbraw/zinc/04/97/26/530049726.db2.gz WGZAFJFJUYKEML-OHUBLEDJSA-N 1 0 377.960 2.729 50 0 GFAARO COc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1OCc1csc(C)n1 ZINC000299738826 222783081 /nfs/dbraw/zinc/78/30/81/222783081.db2.gz GZYGSLLWYRBPFA-MRXNPFEDSA-N 1 0 375.494 2.993 50 0 GFAARO O=C1CO[C@H](CNc2nc3ccccc3o2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299780017 222787189 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398.555 2.752 50 0 GFAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)CC1 ZINC000011879024 221135138 /nfs/dbraw/zinc/13/51/38/221135138.db2.gz JJMLPRJAFPRYMK-OAHLLOKOSA-N 1 0 379.526 2.811 50 0 GFAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)cn1 ZINC000011708288 221123029 /nfs/dbraw/zinc/12/30/29/221123029.db2.gz CSHNIXZFSKWOKU-OAQYLSRUSA-N 1 0 384.455 2.639 50 0 GFAARO COC(=O)CCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012020984 221143584 /nfs/dbraw/zinc/14/35/84/221143584.db2.gz MGUPTVRBVXSOBH-HXUWFJFHSA-N 1 0 394.556 2.992 50 0 GFAARO COc1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)no2)c(Cl)c1 ZINC000012019853 221143889 /nfs/dbraw/zinc/14/38/89/221143889.db2.gz AFBNWSFPSKVYLZ-CYBMUJFWSA-N 1 0 391.855 2.836 50 0 GFAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000012074384 221146968 /nfs/dbraw/zinc/14/69/68/221146968.db2.gz WZTYSKMVZGRDHM-KRWDZBQOSA-N 1 0 388.508 2.811 50 0 GFAARO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)cc1CO 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Cc1nonc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012711999 221219658 /nfs/dbraw/zinc/21/96/58/221219658.db2.gz AJPLRPQOXRCQBJ-HXUWFJFHSA-N 1 0 390.434 2.713 50 0 GFAARO CCCc1ccc([C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)c2cccs2)cc1 ZINC000012743183 221223992 /nfs/dbraw/zinc/22/39/92/221223992.db2.gz QWXYFRDEMGTPRZ-HXUWFJFHSA-N 1 0 383.517 2.977 50 0 GFAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c1C ZINC000012944822 221249054 /nfs/dbraw/zinc/24/90/54/221249054.db2.gz SLHQZVWTOCGFFF-FQEVSTJZSA-N 1 0 389.521 2.876 50 0 GFAARO [NH2+]=C1NC(SCC(=O)NC2CCCCC2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579113 221274003 /nfs/dbraw/zinc/27/40/03/221274003.db2.gz JTSCVNNSRAOCAO-QGZVFWFLSA-N 1 0 384.509 2.623 50 0 GFAARO CC(C)[NH+](CCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C ZINC000014183242 221302110 /nfs/dbraw/zinc/30/21/10/221302110.db2.gz TXPKTHIVFBHDQB-UHFFFAOYSA-N 1 0 390.553 2.641 50 0 GFAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000014672802 221314265 /nfs/dbraw/zinc/31/42/65/221314265.db2.gz LDYMPXDTTWTXKP-FQEVSTJZSA-N 1 0 380.488 2.897 50 0 GFAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH+]1CCSCC1)CC2 ZINC000014746468 221315644 /nfs/dbraw/zinc/31/56/44/221315644.db2.gz ZWHBVKCVCVHRJM-KRWDZBQOSA-N 1 0 384.549 2.539 50 0 GFAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2ccoc2)CC3)cc1 ZINC000014753469 221315925 /nfs/dbraw/zinc/31/59/25/221315925.db2.gz CTQUBZSUFKRGLR-UHFFFAOYSA-N 1 0 397.475 2.760 50 0 GFAARO O=C(CC1CC1)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014960077 221320249 /nfs/dbraw/zinc/32/02/49/221320249.db2.gz ORWDULMDLRLSSL-FQEVSTJZSA-N 1 0 383.536 2.806 50 0 GFAARO COc1c2c(c(OC)c(-c3cc(C4(O)CC[NH+](C)CC4)on3)c1Cl)OCO2 ZINC000015082610 221332826 /nfs/dbraw/zinc/33/28/26/221332826.db2.gz KZZUQFOKFFMYSF-UHFFFAOYSA-N 1 0 396.827 2.654 50 0 GFAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cnc(C)cn2)cc1 ZINC000015079346 221332862 /nfs/dbraw/zinc/33/28/62/221332862.db2.gz OMDVGHWJTJYBIO-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cn1 ZINC000015070799 221328850 /nfs/dbraw/zinc/32/88/50/221328850.db2.gz GVESYMGQGQSWAX-OAQYLSRUSA-N 1 0 384.455 2.639 50 0 GFAARO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCC[NH+]3CCCCCC3)ccc2S1 ZINC000015730570 221342320 /nfs/dbraw/zinc/34/23/20/221342320.db2.gz IFBYUPDGGKQTBS-AWEZNQCLSA-N 1 0 397.566 2.664 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770219 221344929 /nfs/dbraw/zinc/34/49/29/221344929.db2.gz WONQOBIIXRHALJ-OAHLLOKOSA-N 1 0 387.553 2.898 50 0 GFAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000017317371 221384015 /nfs/dbraw/zinc/38/40/15/221384015.db2.gz CGRGMACZGUYQHG-UHFFFAOYSA-N 1 0 380.897 2.651 50 0 GFAARO CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000018217893 221390018 /nfs/dbraw/zinc/39/00/18/221390018.db2.gz BLBPPZUNNFDYST-LJQANCHMSA-N 1 0 386.540 2.841 50 0 GFAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)NC(C)(C)c2ccc(OC)cc2)C1 ZINC000426527609 533342521 /nfs/dbraw/zinc/34/25/21/533342521.db2.gz AKVXNMPFONKUJU-KRWDZBQOSA-N 1 0 377.529 2.930 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccc(F)c1 ZINC000058323646 136155262 /nfs/dbraw/zinc/15/52/62/136155262.db2.gz YYPMJMNDZIYYJE-QGZVFWFLSA-N 1 0 387.480 2.684 50 0 GFAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071763738 136166351 /nfs/dbraw/zinc/16/63/51/136166351.db2.gz KTCTUTLFYSKZEP-IBGZPJMESA-N 1 0 384.524 2.587 50 0 GFAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[N@H+](C)CCc3cn[nH]c3)cc2c1 ZINC000072433604 136170462 /nfs/dbraw/zinc/17/04/62/136170462.db2.gz ZVFXNYLISFFJJZ-FQEVSTJZSA-N 1 0 379.508 2.902 50 0 GFAARO COc1cc(OC)c2nc(N3CCC[C@](O)(C[NH+]4CCCC4)C3)cc(C)c2c1 ZINC000082099056 136173564 /nfs/dbraw/zinc/17/35/64/136173564.db2.gz MYUBPBLHVPNUGH-QFIPXVFZSA-N 1 0 385.508 2.988 50 0 GFAARO CNc1nc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cc(C)[nH+]1 ZINC000082135197 136173966 /nfs/dbraw/zinc/17/39/66/136173966.db2.gz ZSDSDLPYVLRJQT-OAQYLSRUSA-N 1 0 380.496 2.631 50 0 GFAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)nc(C(C)C)n1 ZINC000089599278 136175651 /nfs/dbraw/zinc/17/56/51/136175651.db2.gz KTDDVUGDIWGISV-IBGZPJMESA-N 1 0 385.556 2.964 50 0 GFAARO CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000032951803 221756555 /nfs/dbraw/zinc/75/65/55/221756555.db2.gz MQRSAYVQGZJTEY-UHFFFAOYSA-N 1 0 393.553 2.922 50 0 GFAARO O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000050026659 222003494 /nfs/dbraw/zinc/00/34/94/222003494.db2.gz XKGJWDYLFMYGMF-HXUWFJFHSA-N 1 0 375.476 2.796 50 0 GFAARO C[C@]12CC3CC(C(=O)NCCC[NH+]4CCC(C(N)=O)CC4)(C1)C[C@@](C)(C3)C2 ZINC000055154193 222016771 /nfs/dbraw/zinc/01/67/71/222016771.db2.gz FRSUOJUVTQTRSC-NJMHRBNOSA-N 1 0 375.557 2.687 50 0 GFAARO OCc1ccccc1CN1CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000055405098 222021890 /nfs/dbraw/zinc/02/18/90/222021890.db2.gz PPKOMGLOOLGMFQ-UHFFFAOYSA-N 1 0 376.504 2.742 50 0 GFAARO CC(C)[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 ZINC000058074268 222039634 /nfs/dbraw/zinc/03/96/34/222039634.db2.gz NSGMULKVFHNBGK-BPVAQJAMSA-N 1 0 386.496 2.505 50 0 GFAARO C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000058330985 222049732 /nfs/dbraw/zinc/04/97/32/222049732.db2.gz XOJZTQDRCZLVLE-IAGOWNOFSA-N 1 0 377.554 2.837 50 0 GFAARO C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000058406595 222052078 /nfs/dbraw/zinc/05/20/78/222052078.db2.gz BDNWQIYVMQEZKG-CQSZACIVSA-N 1 0 395.345 2.669 50 0 GFAARO Cc1cc(C)c2c(n1)nc(C(=O)NCC[N@H+](C)C1CCCCC1)nc2N(C)C ZINC000065231981 222113198 /nfs/dbraw/zinc/11/31/98/222113198.db2.gz XBBLUBSRCATCPG-UHFFFAOYSA-N 1 0 384.528 2.702 50 0 GFAARO CCc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)nc2cc(-c3ccccn3)nn21 ZINC000064760246 222080996 /nfs/dbraw/zinc/08/09/96/222080996.db2.gz IQJJFOYYKLIBCL-UHFFFAOYSA-N 1 0 392.507 2.768 50 0 GFAARO Cc1nc(C(C)C)cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071750127 222189220 /nfs/dbraw/zinc/18/92/20/222189220.db2.gz 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CCn1c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CCOC)C3)nc2ccccc21 ZINC000067947328 222169569 /nfs/dbraw/zinc/16/95/69/222169569.db2.gz PUNHZFLBEFHIQB-JOCHJYFZSA-N 1 0 384.524 2.907 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752674 222191087 /nfs/dbraw/zinc/19/10/87/222191087.db2.gz PQFWWDWNZLMSDI-LJQANCHMSA-N 1 0 388.531 2.719 50 0 GFAARO Cc1csc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071761347 222193532 /nfs/dbraw/zinc/19/35/32/222193532.db2.gz NFYAJHMTKBEDMS-QGZVFWFLSA-N 1 0 376.570 2.750 50 0 GFAARO OCc1csc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072151378 222212306 /nfs/dbraw/zinc/21/23/06/222212306.db2.gz NOKOFBXDFDBZQS-ZTFGCOKTSA-N 1 0 377.460 2.980 50 0 GFAARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3cncc(C(=O)N4CCCC4)n3)C2)c1 ZINC000072426966 222259239 /nfs/dbraw/zinc/25/92/39/222259239.db2.gz OXEYTYPABQZKQW-SFHVURJKSA-N 1 0 395.507 2.798 50 0 GFAARO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2=O)c1OC ZINC000072440685 222261497 /nfs/dbraw/zinc/26/14/97/222261497.db2.gz QCAQJEVIPLLEJA-QFIPXVFZSA-N 1 0 388.508 2.697 50 0 GFAARO COc1ccc(CCNC(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000085473247 222324350 /nfs/dbraw/zinc/32/43/50/222324350.db2.gz AXXSQBYPCADCLQ-SFHVURJKSA-N 1 0 377.554 2.851 50 0 GFAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000095500561 222333737 /nfs/dbraw/zinc/33/37/37/222333737.db2.gz WPRCCOJBRFHHCT-FQEVSTJZSA-N 1 0 395.551 2.639 50 0 GFAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)CCC1=O ZINC000095513188 222343168 /nfs/dbraw/zinc/34/31/68/222343168.db2.gz JDNBZLLXBVBYGJ-QHCPKHFHSA-N 1 0 394.519 2.641 50 0 GFAARO Cc1ncn(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]c(C)n2)c1C ZINC000077134177 222273762 /nfs/dbraw/zinc/27/37/62/222273762.db2.gz NNLZPIBACRPYPL-UHFFFAOYSA-N 1 0 386.406 2.708 50 0 GFAARO COC[C@H](C)n1c(CCCC(=O)N2CC[N@H+](C)C(C)(C)C2)nc2cccnc21 ZINC000077485534 222282787 /nfs/dbraw/zinc/28/27/87/222282787.db2.gz YBMLEUMJAPZXDE-INIZCTEOSA-N 1 0 387.528 2.514 50 0 GFAARO COCCn1cncc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC000095519041 222344307 /nfs/dbraw/zinc/34/43/07/222344307.db2.gz YXXICICOSANOHV-MRXNPFEDSA-N 1 0 390.915 2.825 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095531117 222352379 /nfs/dbraw/zinc/35/23/79/222352379.db2.gz GEHQJPKKTLAMHO-LEWJYISDSA-N 1 0 375.476 2.746 50 0 GFAARO CCN1CC2(CC1=O)CCN(C(=O)c1ccc(C[C@H]3CCC[NH2+]C3)cc1)CC2 ZINC000095531087 222353092 /nfs/dbraw/zinc/35/30/92/222353092.db2.gz IAAQYDDHNFXNQP-LJQANCHMSA-N 1 0 383.536 2.703 50 0 GFAARO O=C(c1cccc(=O)[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095530216 222353308 /nfs/dbraw/zinc/35/33/08/222353308.db2.gz HDOVXVYEMFRHSN-LJQANCHMSA-N 1 0 387.524 2.651 50 0 GFAARO CN(C)c1cccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095529224 222353585 /nfs/dbraw/zinc/35/35/85/222353585.db2.gz AWOZWCXESPPPBV-IBGZPJMESA-N 1 0 383.540 2.921 50 0 GFAARO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095996239 222369379 /nfs/dbraw/zinc/36/93/79/222369379.db2.gz MJDPOLMLHCBTDE-HZPDHXFCSA-N 1 0 377.533 2.925 50 0 GFAARO CCC(CC)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013624 222370683 /nfs/dbraw/zinc/37/06/83/222370683.db2.gz YNNAZNGYQSVJDW-DBVUQKKJSA-N 1 0 378.513 2.799 50 0 GFAARO COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000096136429 222385660 /nfs/dbraw/zinc/38/56/60/222385660.db2.gz XFLXRWOLBOWKBG-OAHLLOKOSA-N 1 0 380.920 2.840 50 0 GFAARO O=C(NCC1CCN(CC(F)(F)F)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000189131897 222565661 /nfs/dbraw/zinc/56/56/61/222565661.db2.gz VEUXJBAEJGLHMJ-UHFFFAOYSA-N 1 0 390.494 2.967 50 0 GFAARO COc1cc(Cl)c(C)cc1NC(=O)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000096132236 533929424 /nfs/dbraw/zinc/92/94/24/533929424.db2.gz MMOFPIQEQXJEHI-HNNXBMFYSA-N 1 0 381.904 2.968 50 0 GFAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)csc2C1 ZINC000426401608 534362776 /nfs/dbraw/zinc/36/27/76/534362776.db2.gz CHQZUMSAPACPKD-OAHLLOKOSA-N 1 0 388.537 2.687 50 0 GFAARO Cc1nc(CSc2nnc(C3CC[NH2+]CC3)n2Cc2ccccc2)cc(=O)[nH]1 ZINC000426409312 534502415 /nfs/dbraw/zinc/50/24/15/534502415.db2.gz LFRWBCPNNRRCDG-UHFFFAOYSA-N 1 0 396.520 2.890 50 0 GFAARO [NH3+]C[C@H]1CCCN(C(=O)c2cccc(-c3nc4ccccc4n3CCO)c2)C1 ZINC000426597321 534688313 /nfs/dbraw/zinc/68/83/13/534688313.db2.gz YXWSJDZZCCUFHC-MRXNPFEDSA-N 1 0 378.476 2.507 50 0 GFAARO CN(C)c1ncc(Br)cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237064171 553074112 /nfs/dbraw/zinc/07/41/12/553074112.db2.gz GKKLIHHJLIULIN-UHFFFAOYSA-N 1 0 381.318 2.514 50 0 GFAARO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000299739274 563390601 /nfs/dbraw/zinc/39/06/01/563390601.db2.gz MRTYWIVCKURNLK-XGWLTEMNSA-N 1 0 396.329 2.602 50 0 GFAARO Cc1nc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CCCn3cccn3)s2)n[nH]1 ZINC000019866619 570226746 /nfs/dbraw/zinc/22/67/46/570226746.db2.gz HFLACYKLOVKHRR-AWEZNQCLSA-N 1 0 385.497 2.851 50 0 GFAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000048285671 570231142 /nfs/dbraw/zinc/23/11/42/570231142.db2.gz QELPCAXCKXLHPS-GOSISDBHSA-N 1 0 394.922 2.969 50 0 GFAARO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000048343256 570239913 /nfs/dbraw/zinc/23/99/13/570239913.db2.gz AEQBQXFFQCZJLG-FQEVSTJZSA-N 1 0 387.524 2.948 50 0 GFAARO CCC[C@@H](NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)c1nccn1C ZINC000097805497 570256474 /nfs/dbraw/zinc/25/64/74/570256474.db2.gz RXKBIFWMFABITL-CYBMUJFWSA-N 1 0 383.449 2.594 50 0 GFAARO COCc1cc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000104451205 570258422 /nfs/dbraw/zinc/25/84/22/570258422.db2.gz CBNVDDSBBMWOCP-HXUWFJFHSA-N 1 0 388.508 2.812 50 0 GFAARO O=C(NCCCc1nc2ccccc2[nH]1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000584902136 570271357 /nfs/dbraw/zinc/27/13/57/570271357.db2.gz LZJHMOQGRNBKPY-SFHVURJKSA-N 1 0 399.539 2.782 50 0 GFAARO c1ccc(CNc2ncc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)cn2)cc1 ZINC000215192721 570285989 /nfs/dbraw/zinc/28/59/89/570285989.db2.gz VZYJRWGWWPJZBD-FQEVSTJZSA-N 1 0 381.524 2.633 50 0 GFAARO C[NH+](C)CCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709675 570302556 /nfs/dbraw/zinc/30/25/56/570302556.db2.gz JNFBJAWOTLDUSZ-PMACEKPBSA-N 1 0 397.494 2.749 50 0 GFAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1F ZINC000021698230 570305926 /nfs/dbraw/zinc/30/59/26/570305926.db2.gz CSPYJYKBFXRVRN-HXUWFJFHSA-N 1 0 396.466 2.983 50 0 GFAARO C[NH+](C)Cc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F ZINC000075094347 570318469 /nfs/dbraw/zinc/31/84/69/570318469.db2.gz DCANUKMXCFTXFS-UHFFFAOYSA-N 1 0 376.476 2.754 50 0 GFAARO C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022788319 570327789 /nfs/dbraw/zinc/32/77/89/570327789.db2.gz VCMKOKXBIDEGJZ-RXVVDRJESA-N 1 0 381.520 2.641 50 0 GFAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936354 570338716 /nfs/dbraw/zinc/33/87/16/570338716.db2.gz WOGCOKKCXWCFLL-GOSISDBHSA-N 1 0 391.556 2.953 50 0 GFAARO O=C(NC1CCCC1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035360380 570344757 /nfs/dbraw/zinc/34/47/57/570344757.db2.gz AMLALXPVGJLMPH-BPZDKFOGSA-N 1 0 383.536 2.682 50 0 GFAARO COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237399968 570347509 /nfs/dbraw/zinc/34/75/09/570347509.db2.gz QLPJRUKZLWXITH-GOSISDBHSA-N 1 0 376.460 2.650 50 0 GFAARO CC[NH+]1CCN([C@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)CC1 ZINC000023363039 570356833 /nfs/dbraw/zinc/35/68/33/570356833.db2.gz ZGKCUQDZWWJNOT-INIZCTEOSA-N 1 0 388.581 2.999 50 0 GFAARO COc1ccccc1-c1nnc(SC[C@H]2C[N@H+](CC(C)C)CCO2)n1C ZINC000023731879 570370545 /nfs/dbraw/zinc/37/05/45/570370545.db2.gz UQFUPNUZJKRYRZ-OAHLLOKOSA-N 1 0 376.526 2.940 50 0 GFAARO Cc1nc(-n2cccc2)cc(NCCNS(=O)(=O)c2cccc(Cl)c2)[nH+]1 ZINC000090607849 570383798 /nfs/dbraw/zinc/38/37/98/570383798.db2.gz ZYYZXHDLWKUFOE-UHFFFAOYSA-N 1 0 391.884 2.620 50 0 GFAARO COc1ccc(CC[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000025026714 570403297 /nfs/dbraw/zinc/40/32/97/570403297.db2.gz BUQBIPMJFYUZFF-UHFFFAOYSA-N 1 0 377.492 2.581 50 0 GFAARO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCC[NH+](CC(C)C)CC(C)C)O2 ZINC000005069947 570410943 /nfs/dbraw/zinc/41/09/43/570410943.db2.gz XFUJPTNMXFFMTA-IBGZPJMESA-N 1 0 375.513 2.815 50 0 GFAARO CCOc1ccc([C@@H](C)NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cc1F ZINC000244794825 570433596 /nfs/dbraw/zinc/43/35/96/570433596.db2.gz QUMRPAIVLCKDQV-YUELXQCFSA-N 1 0 375.448 2.749 50 0 GFAARO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000027960461 570445618 /nfs/dbraw/zinc/44/56/18/570445618.db2.gz LAKFURNCKUCWDY-UHFFFAOYSA-N 1 0 396.896 2.667 50 0 GFAARO O=C(CCc1nc(-c2ccccn2)no1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037495 570450114 /nfs/dbraw/zinc/45/01/14/570450114.db2.gz ALWPXIJKJPGOKF-UHFFFAOYSA-N 1 0 397.504 2.860 50 0 GFAARO Cc1c(Cl)cccc1NC(=O)C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225575514 570455297 /nfs/dbraw/zinc/45/52/97/570455297.db2.gz DALDOMFXINBKHT-OAHLLOKOSA-N 1 0 395.956 2.921 50 0 GFAARO C[S@](=O)Cc1c2ccccc2sc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000089493122 570456317 /nfs/dbraw/zinc/45/63/17/570456317.db2.gz ZDMWQJZFBKUVFP-AREMUKBSSA-N 1 0 394.562 2.622 50 0 GFAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000028715160 570463668 /nfs/dbraw/zinc/46/36/68/570463668.db2.gz YIEBPUGDGSPRSF-UHFFFAOYSA-N 1 0 392.503 2.945 50 0 GFAARO OC[C@H](C[NH+]1CCCCC1)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000253426804 570483222 /nfs/dbraw/zinc/48/32/22/570483222.db2.gz BANFCPIGPUVFNA-AWEZNQCLSA-N 1 0 381.402 2.816 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000030637086 570493009 /nfs/dbraw/zinc/49/30/09/570493009.db2.gz RQTUIYAXHMMART-UHFFFAOYSA-N 1 0 379.464 2.607 50 0 GFAARO Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2=O)cc1 ZINC000035982376 570501564 /nfs/dbraw/zinc/50/15/64/570501564.db2.gz XSSZHBNMOCMNLT-ROUUACIJSA-N 1 0 385.533 2.824 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1onc2c1CCCC2 ZINC000426632845 570502982 /nfs/dbraw/zinc/50/29/82/570502982.db2.gz HKMIZGIDVSNPQM-UHFFFAOYSA-N 1 0 383.496 2.828 50 0 GFAARO CCc1nc(CN2CCC(CNC(=O)c3c[nH+]ccc3N(C)C)CC2)cs1 ZINC000183598987 570517752 /nfs/dbraw/zinc/51/77/52/570517752.db2.gz NBYGJHODQCVQOR-UHFFFAOYSA-N 1 0 387.553 2.809 50 0 GFAARO CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697045 570529514 /nfs/dbraw/zinc/52/95/14/570529514.db2.gz XVFCWCBXJZDWFE-IBGZPJMESA-N 1 0 375.900 2.872 50 0 GFAARO COc1ccc(C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096070 570533933 /nfs/dbraw/zinc/53/39/33/570533933.db2.gz HIYGWWDUHAFGRT-MOPGFXCFSA-N 1 0 381.513 2.718 50 0 GFAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036095042 570534609 /nfs/dbraw/zinc/53/46/09/570534609.db2.gz KEANPZYFOURLIU-LJQANCHMSA-N 1 0 389.492 2.901 50 0 GFAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCc1ccccc1 ZINC000036097099 570535489 /nfs/dbraw/zinc/53/54/89/570535489.db2.gz KHXFIFVRGUIPLB-FQEVSTJZSA-N 1 0 389.492 2.730 50 0 GFAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCc1ccco1 ZINC000036095909 570535575 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CC(C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000025535809 570757713 /nfs/dbraw/zinc/75/77/13/570757713.db2.gz VCUTVFIPBKNOJT-FQEVSTJZSA-N 1 0 390.487 2.736 50 0 GFAARO CCN(CCCNC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)c1ccccc1 ZINC000033069136 570776268 /nfs/dbraw/zinc/77/62/68/570776268.db2.gz UGHQYVWELQVSJA-UHFFFAOYSA-N 1 0 397.523 2.754 50 0 GFAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cnc(C)cn3)CC2)cc1 ZINC000012473012 570820574 /nfs/dbraw/zinc/82/05/74/570820574.db2.gz ATPNFEOPCYKSOX-UHFFFAOYSA-N 1 0 382.508 2.820 50 0 GFAARO CCCC[N@H+](C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 ZINC000004686129 570830540 /nfs/dbraw/zinc/83/05/40/570830540.db2.gz DJRLQRUTZZBQJN-UHFFFAOYSA-N 1 0 375.513 2.558 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21)c1ccccc1 ZINC000012542299 570842870 /nfs/dbraw/zinc/84/28/70/570842870.db2.gz AUSLVXGGDMBGEW-UXHICEINSA-N 1 0 378.476 2.640 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccncc1)CC2 ZINC000014539609 570849276 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NKLGOSNZSZFAGO-GOSISDBHSA-N 1 0 377.444 2.629 50 0 GFAARO O=C(NC1CC1)[C@H]1Cc2ccccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000104915961 570908059 /nfs/dbraw/zinc/90/80/59/570908059.db2.gz GINNXDMPBGHAJA-JTHBVZDNSA-N 1 0 391.515 2.707 50 0 GFAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)COc2ccc(F)cc2)CC1 ZINC000046939629 570937843 /nfs/dbraw/zinc/93/78/43/570937843.db2.gz AHIRIWVOVKZVHJ-UHFFFAOYSA-N 1 0 385.483 2.658 50 0 GFAARO COc1ccc(CCC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000106152830 570949432 /nfs/dbraw/zinc/94/94/32/570949432.db2.gz CWHZEKZBOCHRHP-SOLBZPMBSA-N 1 0 378.488 2.867 50 0 GFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCNC(=O)c1ccccc1 ZINC000252443953 570957097 /nfs/dbraw/zinc/95/70/97/570957097.db2.gz CUDZKFDHBWZESM-TZIWHRDSSA-N 1 0 377.488 2.949 50 0 GFAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000019224344 570964180 /nfs/dbraw/zinc/96/41/80/570964180.db2.gz PMXFCPLTHBSZCI-KRWDZBQOSA-N 1 0 393.553 2.786 50 0 GFAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3F)C2)CC1 ZINC000019228079 570964633 /nfs/dbraw/zinc/96/46/33/570964633.db2.gz SZUWSVVAZOUXOT-QGZVFWFLSA-N 1 0 379.476 2.573 50 0 GFAARO Cc1cccc2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)n(C)c21 ZINC000091441675 571008320 /nfs/dbraw/zinc/00/83/20/571008320.db2.gz FMIWHWPTWPBWIG-UHFFFAOYSA-N 1 0 377.492 2.829 50 0 GFAARO CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000091445254 571008808 /nfs/dbraw/zinc/00/88/08/571008808.db2.gz OFSKQYHRECARTC-SFHVURJKSA-N 1 0 375.488 2.509 50 0 GFAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(CCc4ccccc4)C3)n2)CC1 ZINC000091526631 571012799 /nfs/dbraw/zinc/01/27/99/571012799.db2.gz WUGCVZBRKCZFCO-IBGZPJMESA-N 1 0 382.508 2.903 50 0 GFAARO CCN1CC[C@@]2(CN(CCOc3ccc(Cl)cc3)CC[N@@H+]2C)CCC1=O ZINC000091550912 571014429 /nfs/dbraw/zinc/01/44/29/571014429.db2.gz GGSLXUZCDUKJON-HXUWFJFHSA-N 1 0 379.932 2.737 50 0 GFAARO C[C@@H](CCNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)[NH+](C)C ZINC000091625443 571019454 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1 0 395.459 2.723 50 0 GFAARO CCc1noc(C)c1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095372750 571062347 /nfs/dbraw/zinc/06/23/47/571062347.db2.gz PQXOKGNMNYAMRI-IOMROCGXSA-N 1 0 381.476 2.953 50 0 GFAARO OCc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000095373996 571062883 /nfs/dbraw/zinc/06/28/83/571062883.db2.gz RAWUFKQVKLUPTO-VLCRHTCISA-N 1 0 382.460 2.563 50 0 GFAARO CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)ccn1 ZINC000095382907 571068584 /nfs/dbraw/zinc/06/85/84/571068584.db2.gz RWYKEJGXDXFPLB-PKOBYXMFSA-N 1 0 380.492 2.869 50 0 GFAARO O=C(NCc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384364 571069441 /nfs/dbraw/zinc/06/94/41/571069441.db2.gz WJPQCKZTGHGUPX-QGZVFWFLSA-N 1 0 386.471 2.519 50 0 GFAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cc1 ZINC000095387444 571070720 /nfs/dbraw/zinc/07/07/20/571070720.db2.gz WAHIXZMBTDHGBH-WWMDKCPZSA-N 1 0 384.520 2.794 50 0 GFAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1csc(-c3ccccc3)n1)C2 ZINC000095390327 571072173 /nfs/dbraw/zinc/07/21/73/571072173.db2.gz ZJKDMPYLCKZDRC-QFBILLFUSA-N 1 0 384.549 2.795 50 0 GFAARO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095391598 571073024 /nfs/dbraw/zinc/07/30/24/571073024.db2.gz CDTNUDMGOHETBS-WWPVKYPJSA-N 1 0 394.519 2.828 50 0 GFAARO O=C(c1cc(F)ccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040118563 654620503 /nfs/dbraw/zinc/62/05/03/654620503.db2.gz SGVQUHVBZAIBEM-UHFFFAOYSA-N 1 0 385.277 2.773 50 0 GFAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000078821229 655005327 /nfs/dbraw/zinc/00/53/27/655005327.db2.gz MJVPLUYSITTZIG-LBPRGKRZSA-N 1 0 375.296 2.724 50 0 GFAARO Cn1c(C(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)cc2c1cccc2Cl ZINC000215777794 222573785 /nfs/dbraw/zinc/57/37/85/222573785.db2.gz HDMNBZFZPMBBDQ-AWEZNQCLSA-N 1 0 390.915 2.504 50 0 GFAARO Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)[C@H](O)C[C@@H]4OCC[NH3+])cc2)o1 ZINC000092107851 230974759 /nfs/dbraw/zinc/97/47/59/230974759.db2.gz SFDKLROAELVQAC-UXHICEINSA-N 1 0 384.476 2.586 50 0 GFAARO Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000426506652 231231338 /nfs/dbraw/zinc/23/13/38/231231338.db2.gz LUEPLHLNAUJXAS-SFHVURJKSA-N 1 0 378.476 2.636 50 0 GFAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1csc(Cc2ccccc2)n1 ZINC000426698252 231253500 /nfs/dbraw/zinc/25/35/00/231253500.db2.gz MHCQGZZAEKTRRD-KRWDZBQOSA-N 1 0 395.532 2.714 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2Br)on1 ZINC000299740405 222782931 /nfs/dbraw/zinc/78/29/31/222782931.db2.gz ZHXSYHUVUVHOTE-GFCCVEGCSA-N 1 0 394.269 2.745 50 0 GFAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000299754357 222784467 /nfs/dbraw/zinc/78/44/67/222784467.db2.gz CQEABHXMZGKDIQ-VQIMIIECSA-N 1 0 382.508 2.991 50 0 GFAARO COC(=O)c1ccc(C)c(NC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000299798523 222792090 /nfs/dbraw/zinc/79/20/90/222792090.db2.gz QZIYBKQYDFKQQQ-QGZVFWFLSA-N 1 0 375.469 2.500 50 0 GFAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCCc1ccccc1 ZINC000007540118 221001054 /nfs/dbraw/zinc/00/10/54/221001054.db2.gz YFXDVWORKIAWDP-UHFFFAOYSA-N 1 0 399.520 2.722 50 0 GFAARO COc1ccccc1OCc1nc2c3c(C)c(C)n(CC[NH+](C)C)c3ncn2n1 ZINC000009418870 221080253 /nfs/dbraw/zinc/08/02/53/221080253.db2.gz GICHVFGEKLVCDZ-UHFFFAOYSA-N 1 0 394.479 2.845 50 0 GFAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(=O)c2ccco2)C1 ZINC000011773615 221124242 /nfs/dbraw/zinc/12/42/42/221124242.db2.gz FYNRYLDWKNXUDE-KRWDZBQOSA-N 1 0 384.476 2.884 50 0 GFAARO CC(C)=CC(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000011874689 221135297 /nfs/dbraw/zinc/13/52/97/221135297.db2.gz CUGCQVOUHGQPCN-UHFFFAOYSA-N 1 0 387.524 2.656 50 0 GFAARO COc1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c(OC)c1OC ZINC000011845643 221131822 /nfs/dbraw/zinc/13/18/22/221131822.db2.gz IEBAQFMGIZPIIW-KRWDZBQOSA-N 1 0 387.480 2.618 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000011873455 221133602 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BZNWARRVQPZZGW-UHFFFAOYSA-N 1 0 385.552 2.994 50 0 GFAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000012933052 221248358 /nfs/dbraw/zinc/24/83/58/221248358.db2.gz FQTSRVCPNCVPRP-UHFFFAOYSA-N 1 0 393.534 2.715 50 0 GFAARO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1 ZINC000012986963 221253048 /nfs/dbraw/zinc/25/30/48/221253048.db2.gz VTIZXVMCKFOQED-IBGZPJMESA-N 1 0 376.460 2.574 50 0 GFAARO CCC(CC)[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000013011244 221257639 /nfs/dbraw/zinc/25/76/39/221257639.db2.gz NTRKEVSKXCBYAE-GOSISDBHSA-N 1 0 376.497 2.601 50 0 GFAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C ZINC000013069474 221261083 /nfs/dbraw/zinc/26/10/83/221261083.db2.gz MWJZPPCIGOCVKM-HOTGVXAUSA-N 1 0 395.569 2.942 50 0 GFAARO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C1=O ZINC000013117005 221261634 /nfs/dbraw/zinc/26/16/34/221261634.db2.gz WOYYFQKPYWYZKQ-GIMINZRKSA-N 1 0 399.491 2.837 50 0 GFAARO COc1ccc(Cc2noc(CN(C)C[C@H](O)c3ccccc3)n2)cc1OC ZINC000013594736 221275482 /nfs/dbraw/zinc/27/54/82/221275482.db2.gz VCYWGUOXJOFIOH-KRWDZBQOSA-N 1 0 383.448 2.843 50 0 GFAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1F ZINC000014971325 221321591 /nfs/dbraw/zinc/32/15/91/221321591.db2.gz WMPQSVQHNBZTRW-FQEVSTJZSA-N 1 0 396.384 2.886 50 0 GFAARO CN(C(=O)CCN1CCCCC1=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014969117 221322400 /nfs/dbraw/zinc/32/24/00/221322400.db2.gz FDRQIDVQMPZQJB-NRFANRHFSA-N 1 0 385.552 2.945 50 0 GFAARO CC(C)OCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000014749750 221316233 /nfs/dbraw/zinc/31/62/33/221316233.db2.gz AWNGQBBBALNJIV-LJQANCHMSA-N 1 0 398.551 2.954 50 0 GFAARO c1ccc(CNc2nc3nonc3nc2N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000014960628 221320962 /nfs/dbraw/zinc/32/09/62/221320962.db2.gz BWZSTRHOVJQBII-UHFFFAOYSA-N 1 0 379.468 2.690 50 0 GFAARO O=C1O[C@@H]2CN(Cc3ccccc3OC(F)F)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000015068831 221329273 /nfs/dbraw/zinc/32/92/73/221329273.db2.gz HMCWOIDHCAQAJM-FUHWJXTLSA-N 1 0 395.450 2.779 50 0 GFAARO Cc1cccn2c(C[NH2+]CCCn3ccnc3)c(C(=O)N3CCCCC3)nc12 ZINC000015065862 221330189 /nfs/dbraw/zinc/33/01/89/221330189.db2.gz HILLTQCXXZHJKQ-UHFFFAOYSA-N 1 0 380.496 2.645 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)C3CCCCC3)C2=O)c1 ZINC000015072783 221331422 /nfs/dbraw/zinc/33/14/22/221331422.db2.gz IRCNICSMXYHJTC-NRFANRHFSA-N 1 0 378.488 2.952 50 0 GFAARO COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000019898246 221462881 /nfs/dbraw/zinc/46/28/81/221462881.db2.gz BUQNAGUPWNCAHE-CAPFRKAQSA-N 1 0 381.476 2.534 50 0 GFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000020536342 221497411 /nfs/dbraw/zinc/49/74/11/221497411.db2.gz BFWZPABCSGMFKR-UHFFFAOYSA-N 1 0 384.505 2.673 50 0 GFAARO CC1CC[NH+](CCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000048070019 132429626 /nfs/dbraw/zinc/42/96/26/132429626.db2.gz QLBGXZUCCWBGMK-UHFFFAOYSA-N 1 0 375.517 2.552 50 0 GFAARO Cc1ccnc(N2CCN(C(=O)c3ccc(C[C@@H]4CCC[NH2+]C4)cc3)CC2)c1 ZINC000072172590 136167447 /nfs/dbraw/zinc/16/74/47/136167447.db2.gz VCJQKDHZDFAIPD-FQEVSTJZSA-N 1 0 378.520 2.895 50 0 GFAARO CNc1nc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc(C)[nH+]1 ZINC000092046413 136177642 /nfs/dbraw/zinc/17/76/42/136177642.db2.gz WFSKGLNRCLHJSV-OAHLLOKOSA-N 1 0 383.500 2.579 50 0 GFAARO CC1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)cn2)CC1 ZINC000171404506 136199349 /nfs/dbraw/zinc/19/93/49/136199349.db2.gz NBJFWQZPYDCPDA-UHFFFAOYSA-N 1 0 399.583 2.606 50 0 GFAARO CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000223942519 136206035 /nfs/dbraw/zinc/20/60/35/136206035.db2.gz BMJMSRXIUIKOPL-UHFFFAOYSA-N 1 0 377.492 2.597 50 0 GFAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000057174153 222030264 /nfs/dbraw/zinc/03/02/64/222030264.db2.gz KCYVOYSWLKQCRR-HNNXBMFYSA-N 1 0 378.476 2.946 50 0 GFAARO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)cc1 ZINC000046035694 221969519 /nfs/dbraw/zinc/96/95/19/221969519.db2.gz GQXYPAAHTJOCNN-UHFFFAOYSA-N 1 0 392.521 2.894 50 0 GFAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048261831 221983700 /nfs/dbraw/zinc/98/37/00/221983700.db2.gz UVEDCULUVWIXRG-CQSZACIVSA-N 1 0 375.904 2.986 50 0 GFAARO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(OC)cc2)C1 ZINC000052133381 222006366 /nfs/dbraw/zinc/00/63/66/222006366.db2.gz RNXYBNNVFFFFMD-RBUKOAKNSA-N 1 0 388.508 2.504 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(N2CCNC2=O)c1)Cc1ccccc1 ZINC000052590990 222006782 /nfs/dbraw/zinc/00/67/82/222006782.db2.gz DYOFHPSUAQLESU-NRFANRHFSA-N 1 0 394.519 2.899 50 0 GFAARO O=S(=O)(NCCN1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000052833850 222008492 /nfs/dbraw/zinc/00/84/92/222008492.db2.gz TVYUBWKSDZPMJT-UHFFFAOYSA-N 1 0 379.570 2.553 50 0 GFAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)s1 ZINC000055109175 222016505 /nfs/dbraw/zinc/01/65/05/222016505.db2.gz WWBPXRHHBQEQDK-LJQANCHMSA-N 1 0 380.460 2.978 50 0 GFAARO C[NH+](C)CCN(C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000058168053 222042640 /nfs/dbraw/zinc/04/26/40/222042640.db2.gz YLFVNEWNXKTPQK-UHFFFAOYSA-N 1 0 383.536 2.914 50 0 GFAARO COc1cc2c(cc1OC)C[N@H+](CCCc1nnnn1-c1ccccc1)CC2 ZINC000058210017 222045402 /nfs/dbraw/zinc/04/54/02/222045402.db2.gz AUAMQTZMXGBKNT-UHFFFAOYSA-N 1 0 379.464 2.670 50 0 GFAARO CC(=O)Nc1nc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000058201191 222045644 /nfs/dbraw/zinc/04/56/44/222045644.db2.gz RDKXGDWKZJUXIM-ZDUSSCGKSA-N 1 0 378.523 2.805 50 0 GFAARO COCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000058393326 222050776 /nfs/dbraw/zinc/05/07/76/222050776.db2.gz PWWOSUYPEXPBDM-LBPRGKRZSA-N 1 0 375.296 2.988 50 0 GFAARO Cc1c(C[NH2+]CCc2nc(C)c3c(n2)CCCC3)c2ccccc2n1CC(N)=O ZINC000063855378 222069588 /nfs/dbraw/zinc/06/95/88/222069588.db2.gz KTBAUNXNEOPTAN-UHFFFAOYSA-N 1 0 391.519 2.745 50 0 GFAARO [NH3+]CCc1nc2ccccc2c(N2CCC[C@@H]2c2nc(-c3ccncc3)no2)n1 ZINC000065380858 222126751 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O=C1N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067883948 222165466 /nfs/dbraw/zinc/16/54/66/222165466.db2.gz XLTRVZMPTREUHI-JOCHJYFZSA-N 1 0 378.476 2.505 50 0 GFAARO O=C1N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067909054 222168164 /nfs/dbraw/zinc/16/81/64/222168164.db2.gz YYDSJIUZNHFYIW-QFIPXVFZSA-N 1 0 378.476 2.505 50 0 GFAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](CCCn2ccnc2)CCO3)n1 ZINC000071278941 222178388 /nfs/dbraw/zinc/17/83/88/222178388.db2.gz GEAIQCAPLLDYDP-UHFFFAOYSA-N 1 0 379.464 2.947 50 0 GFAARO COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071422316 222185096 /nfs/dbraw/zinc/18/50/96/222185096.db2.gz SPZLSLYGMRCIES-FQEVSTJZSA-N 1 0 387.568 2.904 50 0 GFAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1 ZINC000071759164 222193464 /nfs/dbraw/zinc/19/34/64/222193464.db2.gz OUAUUPVWFLCTSV-GOSISDBHSA-N 1 0 394.519 2.763 50 0 GFAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC4(CNC(=O)C4)CC3)c(C)o2)c1 ZINC000071760843 222194463 /nfs/dbraw/zinc/19/44/63/222194463.db2.gz OSLMNXOUHWNUAT-UHFFFAOYSA-N 1 0 385.464 2.769 50 0 GFAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1)N1CCCC1 ZINC000071757153 222194741 /nfs/dbraw/zinc/19/47/41/222194741.db2.gz GIWHUPLZGNOIGA-LJQANCHMSA-N 1 0 399.535 2.714 50 0 GFAARO COc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071763838 222195262 /nfs/dbraw/zinc/19/52/62/222195262.db2.gz ZENCUWWUELSXMY-HXUWFJFHSA-N 1 0 385.552 2.994 50 0 GFAARO Cc1nc(N)ncc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071774540 222198391 /nfs/dbraw/zinc/19/83/91/222198391.db2.gz GKDDARSCFVLVSH-LJQANCHMSA-N 1 0 385.487 2.879 50 0 GFAARO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000071890448 222199166 /nfs/dbraw/zinc/19/91/66/222199166.db2.gz AIPBNSZLUZQPCZ-UHFFFAOYSA-N 1 0 379.508 2.970 50 0 GFAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)N(C)C)C3)C2)cc1 ZINC000072157078 222212288 /nfs/dbraw/zinc/21/22/88/222212288.db2.gz OEWSNLRMGPKEBR-FQEVSTJZSA-N 1 0 379.570 2.904 50 0 GFAARO CC(C)[C@H]1CN(C(=O)CN2CCCCC2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072152921 222212659 /nfs/dbraw/zinc/21/26/59/222212659.db2.gz AWXLUPJQXPFFMI-HXUWFJFHSA-N 1 0 389.515 2.897 50 0 GFAARO CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 ZINC000072151914 222212873 /nfs/dbraw/zinc/21/28/73/222212873.db2.gz OHLOQODGSOBPMT-UHFFFAOYSA-N 1 0 382.512 2.587 50 0 GFAARO COc1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000072163980 222215286 /nfs/dbraw/zinc/21/52/86/222215286.db2.gz AIZKIXAKQZOMNJ-QFIPXVFZSA-N 1 0 381.476 2.719 50 0 GFAARO CNc1nc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072166461 222215359 /nfs/dbraw/zinc/21/53/59/222215359.db2.gz UQWJPEQSMDTPRB-CGTJXYLNSA-N 1 0 384.505 2.593 50 0 GFAARO Cc1nc(C)n(C[C@@H](C)C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000072409057 222254942 /nfs/dbraw/zinc/25/49/42/222254942.db2.gz QQXLCASNPRDWKL-YPKGZJBQSA-N 1 0 385.556 2.644 50 0 GFAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccccc1CCc1ccccn1 ZINC000072429481 222258480 /nfs/dbraw/zinc/25/84/80/222258480.db2.gz VZVRTKUXBHRKCK-UHFFFAOYSA-N 1 0 375.476 2.738 50 0 GFAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)[C@H]1Cc2ccccc2C(=O)N1 ZINC000072425264 222259323 /nfs/dbraw/zinc/25/93/23/222259323.db2.gz WXLSMJBVRLUPHB-HXUWFJFHSA-N 1 0 383.536 2.988 50 0 GFAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC([N@H+]4CCCC[C@H]4C)C3)c12 ZINC000072432193 222261402 /nfs/dbraw/zinc/26/14/02/222261402.db2.gz GRBHTDFEHTYPBB-CQSZACIVSA-N 1 0 377.496 2.797 50 0 GFAARO CO[C@H]1[C@H](NC(=O)c2cn3ccsc3n2)c2ccccc2C12CC[NH2+]CC2 ZINC000072468168 222263593 /nfs/dbraw/zinc/26/35/93/222263593.db2.gz HHZWHUSRFGEGRC-SJORKVTESA-N 1 0 382.489 2.517 50 0 GFAARO C[N@@H+]1CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)[C@@H]1c1ccccc1 ZINC000089375141 222327854 /nfs/dbraw/zinc/32/78/54/222327854.db2.gz JOCCCRMUZJUWLX-XLIONFOSSA-N 1 0 377.448 2.626 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cccn1C ZINC000095498696 222331854 /nfs/dbraw/zinc/33/18/54/222331854.db2.gz 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ZINC000095520127 222346868 /nfs/dbraw/zinc/34/68/68/222346868.db2.gz HPCQMNKQZXVAMK-LJQANCHMSA-N 1 0 388.508 2.953 50 0 GFAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]c1 ZINC000095524349 222347764 /nfs/dbraw/zinc/34/77/64/222347764.db2.gz WLWSSORVXUKZMD-GOSISDBHSA-N 1 0 381.520 2.983 50 0 GFAARO COc1ccc(Cc2nc3ccc(C(=O)N[C@@H]4CC[N@H+](C)C4)cc3o2)cc1OC ZINC000095526695 222350360 /nfs/dbraw/zinc/35/03/60/222350360.db2.gz MSKXULFTVLEWFK-MRXNPFEDSA-N 1 0 395.459 2.870 50 0 GFAARO CCc1cc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000095527987 222350872 /nfs/dbraw/zinc/35/08/72/222350872.db2.gz BYEVBLULFLQEGR-UHFFFAOYSA-N 1 0 381.520 2.964 50 0 GFAARO COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095528351 222353735 /nfs/dbraw/zinc/35/37/35/222353735.db2.gz KMERGYGZBWWJDI-FQEVSTJZSA-N 1 0 392.540 2.533 50 0 GFAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000096139769 222387986 /nfs/dbraw/zinc/38/79/86/222387986.db2.gz 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[NH3+]CCn1cc(C(=O)N2CCC(Cc3cc(Cl)ccc3Cl)CC2)nn1 ZINC000662490001 565371336 /nfs/dbraw/zinc/37/13/36/565371336.db2.gz ZIWLBIVWDMTQNP-UHFFFAOYSA-N 1 0 382.295 2.639 50 0 GFAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000666854591 565561240 /nfs/dbraw/zinc/56/12/40/565561240.db2.gz GOSBUZCQJXBUOK-GFCCVEGCSA-N 1 0 387.933 2.985 50 0 GFAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cncc(Cl)c2)CC1 ZINC000096132759 570211545 /nfs/dbraw/zinc/21/15/45/570211545.db2.gz PXVGTKBNQGNVGO-IBGZPJMESA-N 1 0 395.931 2.715 50 0 GFAARO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000047795008 570215280 /nfs/dbraw/zinc/21/52/80/570215280.db2.gz YFLHGAACXCFUOC-LJQANCHMSA-N 1 0 379.439 2.860 50 0 GFAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000048069598 570218099 /nfs/dbraw/zinc/21/80/99/570218099.db2.gz QMYOBFJCTVKSDA-KRWDZBQOSA-N 1 0 375.517 2.552 50 0 GFAARO Cc1ocnc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019791436 570219433 /nfs/dbraw/zinc/21/94/33/570219433.db2.gz VMAARDGBHXYWDS-UXHICEINSA-N 1 0 381.476 2.668 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@H](C)NC(=O)c2ccoc2)[NH+]2CCCCC2)cc1 ZINC000048185839 570220293 /nfs/dbraw/zinc/22/02/93/570220293.db2.gz MEZBYMFBZBHBGY-JXFKEZNVSA-N 1 0 399.491 2.750 50 0 GFAARO COC(=O)[C@@H](Cc1cc(-c2ccccc2Cl)on1)CN1CC[NH+](C)CC1 ZINC000096316088 570228866 /nfs/dbraw/zinc/22/88/66/570228866.db2.gz BJVQSBIYDWRSHH-AWEZNQCLSA-N 1 0 377.872 2.574 50 0 GFAARO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000019910697 570229208 /nfs/dbraw/zinc/22/92/08/570229208.db2.gz ARLQMURCLHRZIN-UHFFFAOYSA-N 1 0 391.493 2.761 50 0 GFAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000048278629 570230283 /nfs/dbraw/zinc/23/02/83/570230283.db2.gz AVABFXHEDCQOMK-MRXNPFEDSA-N 1 0 397.541 2.539 50 0 GFAARO CC(C)c1nc(CN2CCC3(CC[NH+](Cc4ncc[nH]4)CC3)[C@@H](CO)C2)co1 ZINC000097514446 570245338 /nfs/dbraw/zinc/24/53/38/570245338.db2.gz SRRCNEBDZVXFDQ-QGZVFWFLSA-N 1 0 387.528 2.618 50 0 GFAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(OC)c1OC ZINC000104344188 570257086 /nfs/dbraw/zinc/25/70/86/570257086.db2.gz DMHGUYGQBPSKBX-QGZVFWFLSA-N 1 0 380.529 2.627 50 0 GFAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794769 570285002 /nfs/dbraw/zinc/28/50/02/570285002.db2.gz MXKKGAIASNOPKV-GOSISDBHSA-N 1 0 397.523 2.757 50 0 GFAARO CCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000034903093 570344066 /nfs/dbraw/zinc/34/40/66/570344066.db2.gz CXFKAZWYFZDFGK-UHFFFAOYSA-N 1 0 386.496 2.803 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000034919110 570344901 /nfs/dbraw/zinc/34/49/01/570344901.db2.gz VEWSJPHPKXMXNM-LJQANCHMSA-N 1 0 383.536 2.948 50 0 GFAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CC[C@@H]([NH+](C)C)C1 ZINC000023158561 570347318 /nfs/dbraw/zinc/34/73/18/570347318.db2.gz QBCMJADMQMACOA-LJQANCHMSA-N 1 0 391.519 2.742 50 0 GFAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000023197897 570349727 /nfs/dbraw/zinc/34/97/27/570349727.db2.gz WDWHUUYBJMULOK-FPOVZHCZSA-N 1 0 380.488 2.837 50 0 GFAARO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)C1 ZINC000023380124 570359471 /nfs/dbraw/zinc/35/94/71/570359471.db2.gz VQQHUXPBEWPVRQ-OAHLLOKOSA-N 1 0 396.413 2.774 50 0 GFAARO COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCCC[NH+](C)C)cc1 ZINC000604405646 570361625 /nfs/dbraw/zinc/36/16/25/570361625.db2.gz UAHLNFASBMFHDA-UHFFFAOYSA-N 1 0 398.459 2.980 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000575619470 570368132 /nfs/dbraw/zinc/36/81/32/570368132.db2.gz FPHXDMGDMQFAEO-QGZVFWFLSA-N 1 0 383.423 2.607 50 0 GFAARO c1cnc(N2CC[NH+](CCCNc3ncnc4sc5c(c43)CCC5)CC2)nc1 ZINC000023888283 570374853 /nfs/dbraw/zinc/37/48/53/570374853.db2.gz SYHWWMMTVSOROF-UHFFFAOYSA-N 1 0 395.536 2.594 50 0 GFAARO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000004600540 570387009 /nfs/dbraw/zinc/38/70/09/570387009.db2.gz CFJJCUBLFZTETA-UHFFFAOYSA-N 1 0 382.483 2.782 50 0 GFAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1c(C)noc1C)c1cccc(OC)c1 ZINC000024711458 570390280 /nfs/dbraw/zinc/39/02/80/570390280.db2.gz DODDKXVOQUMVCO-QGZVFWFLSA-N 1 0 381.498 2.661 50 0 GFAARO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000024759109 570392039 /nfs/dbraw/zinc/39/20/39/570392039.db2.gz SXTLTUSSJFVUMA-AWEZNQCLSA-N 1 0 397.552 2.613 50 0 GFAARO Cn1cc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000222308913 570408455 /nfs/dbraw/zinc/40/84/55/570408455.db2.gz BHLNBJBFWSGADB-QRVBRYPASA-N 1 0 392.544 2.747 50 0 GFAARO O=[N+]([O-])C(=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2)[N+](=O)[O-] ZINC000100673834 570428283 /nfs/dbraw/zinc/42/82/83/570428283.db2.gz GHXGBUJRQJRUQY-MGPUTAFESA-N 1 0 382.420 2.864 50 0 GFAARO C[N@@H+]1CCCN(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000253532612 570445409 /nfs/dbraw/zinc/44/54/09/570445409.db2.gz MPTBHHMKPDEWBA-NRFANRHFSA-N 1 0 394.519 2.732 50 0 GFAARO O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000035855754 570465118 /nfs/dbraw/zinc/46/51/18/570465118.db2.gz PECOTYWKYPEQDY-HCXYKTFWSA-N 1 0 378.403 2.661 50 0 GFAARO O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317311 570488328 /nfs/dbraw/zinc/48/83/28/570488328.db2.gz TXSUWOBLQNKCBX-KPKJPENVSA-N 1 0 389.499 2.767 50 0 GFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2ncc3c2-c2ccccc2OC3)C1 ZINC000006805269 570493952 /nfs/dbraw/zinc/49/39/52/570493952.db2.gz XEHZQECJAOSSKB-IRXDYDNUSA-N 1 0 382.508 2.927 50 0 GFAARO [NH3+]CCOc1ccc(F)cc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000426627853 570502709 /nfs/dbraw/zinc/50/27/09/570502709.db2.gz UYKNOKFDHAIABJ-AWEZNQCLSA-N 1 0 375.419 2.559 50 0 GFAARO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)C2CCCCC2)c1 ZINC000006637320 570511480 /nfs/dbraw/zinc/51/14/80/570511480.db2.gz SJRLWWOHZMMFGD-UHFFFAOYSA-N 1 0 381.542 2.920 50 0 GFAARO Cc1ccccc1OC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036031316 570517584 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0 GFAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)Sc1ncccc1C(=O)N2C1CC1 ZINC000065241488 570745779 /nfs/dbraw/zinc/74/57/79/570745779.db2.gz BPGXQNAQGKXMPV-UHFFFAOYSA-N 1 0 382.489 2.647 50 0 GFAARO CC[NH+]1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059851 570746870 /nfs/dbraw/zinc/74/68/70/570746870.db2.gz PSEJMVYIVFFCLT-UHFFFAOYSA-N 1 0 397.548 2.844 50 0 GFAARO O=C(NCCc1ccncc1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255774 570754365 /nfs/dbraw/zinc/75/43/65/570754365.db2.gz DLRCYZSEJMIUCN-NRFANRHFSA-N 1 0 387.487 2.600 50 0 GFAARO Cc1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257239 570755812 /nfs/dbraw/zinc/75/58/12/570755812.db2.gz WKUUDHMFHXRPFI-UHFFFAOYSA-N 1 0 397.523 2.856 50 0 GFAARO CC[NH+](CC)CCCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1 ZINC000065274624 570776823 /nfs/dbraw/zinc/77/68/23/570776823.db2.gz RMLKJKDREZZKIX-UHFFFAOYSA-N 1 0 381.480 2.867 50 0 GFAARO CCc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nn2)[NH+](C)C)cc1 ZINC000032734322 570788397 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386.464 2.979 50 0 GFAARO CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C1 ZINC000051137056 570849182 /nfs/dbraw/zinc/84/91/82/570849182.db2.gz OXGBNKUHTFFGJQ-HNNXBMFYSA-N 1 0 386.464 2.979 50 0 GFAARO CC(C)OCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014538553 570849286 /nfs/dbraw/zinc/84/92/86/570849286.db2.gz QJQAPHHMMDYPRY-INIZCTEOSA-N 1 0 388.512 2.547 50 0 GFAARO O=C1NC[C@@]2(CCC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)CC2)O1 ZINC000072149724 570873107 /nfs/dbraw/zinc/87/31/07/570873107.db2.gz QUVWNLIKLHCYDN-NRFANRHFSA-N 1 0 377.448 2.861 50 0 GFAARO O=C1NC[C@]2(CCC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)CC2)O1 ZINC000072149723 570873328 /nfs/dbraw/zinc/87/33/28/570873328.db2.gz QUVWNLIKLHCYDN-OAQYLSRUSA-N 1 0 377.448 2.861 50 0 GFAARO CCn1nc(C)c(C[N@H+]2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)c1C ZINC000015071966 570877460 /nfs/dbraw/zinc/87/74/60/570877460.db2.gz RPBVELQEBGEUJQ-UHFFFAOYSA-N 1 0 398.507 2.541 50 0 GFAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+]Cc3ccco3)cc21 ZINC000003655837 570881859 /nfs/dbraw/zinc/88/18/59/570881859.db2.gz NGKRIWIYKJRXRD-OAHLLOKOSA-N 1 0 386.448 2.786 50 0 GFAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)C1 ZINC000033264210 570882841 /nfs/dbraw/zinc/88/28/41/570882841.db2.gz VBXWDYPPMLVCCX-FQEVSTJZSA-N 1 0 386.540 2.811 50 0 GFAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)nc12 ZINC000012599246 570885904 /nfs/dbraw/zinc/88/59/04/570885904.db2.gz UXJHWZVJZURBIA-UHFFFAOYSA-N 1 0 382.508 2.618 50 0 GFAARO CCN(CC)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000042379152 570890293 /nfs/dbraw/zinc/89/02/93/570890293.db2.gz AURZWLDIKJKQAL-CVEARBPZSA-N 1 0 380.558 2.641 50 0 GFAARO CCc1c(C(=O)N2CCC[C@H](C[NH2+]C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000159106561 570906278 /nfs/dbraw/zinc/90/62/78/570906278.db2.gz CAEORDRKRDGVOT-MRXNPFEDSA-N 1 0 385.512 2.689 50 0 GFAARO COc1cccc(-n2cc([C@H](C)NC(=O)N3CC[NH+](CC4CC4)CC3)cn2)c1 ZINC000534660490 570915000 /nfs/dbraw/zinc/91/50/00/570915000.db2.gz 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Cc1cccn2c(C[NH2+][C@@H](C)Cc3cccs3)c(C(=O)N3CCOCC3)nc12 ZINC000019229552 570965169 /nfs/dbraw/zinc/96/51/69/570965169.db2.gz GYWSIDWFVKXFPN-INIZCTEOSA-N 1 0 398.532 2.897 50 0 GFAARO COc1ccc(F)c(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)c1OC ZINC000252503334 570977498 /nfs/dbraw/zinc/97/74/98/570977498.db2.gz VBLRVYZAOYHEBN-UHFFFAOYSA-N 1 0 387.455 2.675 50 0 GFAARO Cc1nc2sc3c(c2c2nc(C(=O)NCCC[NH+](C)C)nn21)[C@@H](C)CCC3 ZINC000002200449 570999059 /nfs/dbraw/zinc/99/90/59/570999059.db2.gz XUTSTAWTKRKCSX-NSHDSACASA-N 1 0 386.525 2.769 50 0 GFAARO c1cncc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000019536456 571000311 /nfs/dbraw/zinc/00/03/11/571000311.db2.gz QBCDDSOECNCPCU-NRFANRHFSA-N 1 0 394.519 2.593 50 0 GFAARO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000091302527 571002311 /nfs/dbraw/zinc/00/23/11/571002311.db2.gz KNPRWOAPSCCIED-ROUUACIJSA-N 1 0 389.496 2.997 50 0 GFAARO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc3c(ccn3C)c1)CC2 ZINC000091288746 571002412 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221217849 /nfs/dbraw/zinc/21/78/49/221217849.db2.gz TWOLFEWIKVSGFO-OWCLPIDISA-N 1 0 377.481 2.909 50 0 GFAARO Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)[nH]1 ZINC000012718622 221221248 /nfs/dbraw/zinc/22/12/48/221221248.db2.gz XBIVRRVLFBBMHT-NRFANRHFSA-N 1 0 385.487 2.700 50 0 GFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000012911456 221244857 /nfs/dbraw/zinc/24/48/57/221244857.db2.gz HRCLUERWVYXEJP-DLBZAZTESA-N 1 0 375.538 2.545 50 0 GFAARO COc1ccc([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000014237956 221305540 /nfs/dbraw/zinc/30/55/40/221305540.db2.gz SQOBMVYJXFXTSA-NRFANRHFSA-N 1 0 395.503 2.784 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)n3c4ccccc4oc3=O)cc2)CC1 ZINC000014347800 221308991 /nfs/dbraw/zinc/30/89/91/221308991.db2.gz UHYKKHDRBCQZCM-INIZCTEOSA-N 1 0 394.475 2.936 50 0 GFAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000014751502 221316398 /nfs/dbraw/zinc/31/63/98/221316398.db2.gz CMIZGYSHASDZCF-LEWJYISDSA-N 1 0 391.515 2.698 50 0 GFAARO O=C1C[C@H]([NH2+]C2CCN(Cc3ccco3)CC2)CN1C1Cc2ccccc2C1 ZINC000015076578 221330753 /nfs/dbraw/zinc/33/07/53/221330753.db2.gz IYMBQODMKFBIEU-FQEVSTJZSA-N 1 0 379.504 2.602 50 0 GFAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1 ZINC000015779591 221345018 /nfs/dbraw/zinc/34/50/18/221345018.db2.gz WDNIXSMPXUBYDG-UHFFFAOYSA-N 1 0 387.478 2.845 50 0 GFAARO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016026265 221354842 /nfs/dbraw/zinc/35/48/42/221354842.db2.gz RAWOHIWYAHGABO-FXCLAUTBSA-N 1 0 377.444 2.966 50 0 GFAARO CCOC(=O)c1c(NC(=O)CN2CC[NH+](CC)CC2)sc2c1CCCCC2 ZINC000020608815 221503981 /nfs/dbraw/zinc/50/39/81/221503981.db2.gz LGKRKIHLEQGNTI-UHFFFAOYSA-N 1 0 393.553 2.770 50 0 GFAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000067785510 136164969 /nfs/dbraw/zinc/16/49/69/136164969.db2.gz FGUZHRRKMGNIGR-HSZRJFAPSA-N 1 0 378.520 2.818 50 0 GFAARO CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000082166641 136174243 /nfs/dbraw/zinc/17/42/43/136174243.db2.gz QSKKKWNDDAXUNA-GOSISDBHSA-N 1 0 387.524 2.771 50 0 GFAARO CNc1cc(C)[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1 ZINC000091594630 136176655 /nfs/dbraw/zinc/17/66/55/136176655.db2.gz HKDWMZZVIVGEQM-MRXNPFEDSA-N 1 0 397.527 2.703 50 0 GFAARO Cc1cc(N2CCC3(CC(=O)N(Cc4ccc(F)c(F)c4)C3)CC2)nc(N)[nH+]1 ZINC000091745797 136177079 /nfs/dbraw/zinc/17/70/79/136177079.db2.gz DNROMYNZWWTSAO-UHFFFAOYSA-N 1 0 387.434 2.665 50 0 GFAARO CNc1nc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)cc(C)[nH+]1 ZINC000092038572 136177658 /nfs/dbraw/zinc/17/76/58/136177658.db2.gz QOANZSYSETYFBH-MRXNPFEDSA-N 1 0 397.527 2.703 50 0 GFAARO CCc1nc(-c2cccc(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)n[nH]1 ZINC000095521046 136181255 /nfs/dbraw/zinc/18/12/55/136181255.db2.gz POHOQONKXASLEY-UHFFFAOYSA-N 1 0 377.452 2.783 50 0 GFAARO CC(C)c1ccccc1OCCOC[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000004279155 136193870 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GFAARO CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000055182590 222016151 /nfs/dbraw/zinc/01/61/51/222016151.db2.gz CBLNDGQMVATQRO-KRWDZBQOSA-N 1 0 377.448 2.733 50 0 GFAARO O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058009112 222037942 /nfs/dbraw/zinc/03/79/42/222037942.db2.gz QHYYUJOBAVSGAC-GFCCVEGCSA-N 1 0 378.860 2.763 50 0 GFAARO O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000057994505 222038269 /nfs/dbraw/zinc/03/82/69/222038269.db2.gz BJAZBJKZZZIYEX-UHFFFAOYSA-N 1 0 397.519 2.787 50 0 GFAARO COc1ccc(CCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1OC ZINC000058180163 222043756 /nfs/dbraw/zinc/04/37/56/222043756.db2.gz XRERZPNKCSAHAZ-INIZCTEOSA-N 1 0 378.513 2.882 50 0 GFAARO O=C(Nc1ncn(Cc2ccccn2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058332608 222049014 /nfs/dbraw/zinc/04/90/14/222049014.db2.gz HJKMEVSEWPQKRL-GOSISDBHSA-N 1 0 376.464 2.572 50 0 GFAARO CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058304866 222049197 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CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnnc1 ZINC000096150447 222391443 /nfs/dbraw/zinc/39/14/43/222391443.db2.gz IUCWLXIWRRHDPQ-IBGZPJMESA-N 1 0 382.508 2.902 50 0 GFAARO O=C(NCCC[NH+]1Cc2ccccc2C1)Nc1cc(F)c2c(c1)NC(=O)CO2 ZINC000096165981 222395063 /nfs/dbraw/zinc/39/50/63/222395063.db2.gz OZVCFPSBEZHFMQ-UHFFFAOYSA-N 1 0 384.411 2.684 50 0 GFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN(C)CCOC)CC2)C1 ZINC000096166261 222395615 /nfs/dbraw/zinc/39/56/15/222395615.db2.gz QIPFDWVGBQXHJO-OAQYLSRUSA-N 1 0 387.568 2.683 50 0 GFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000408519186 533896663 /nfs/dbraw/zinc/89/66/63/533896663.db2.gz PSWDBAMFNDVVNK-OQQHHNTDSA-N 1 0 387.343 2.675 50 0 GFAARO Cc1nc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)cs1 ZINC000426521140 534404235 /nfs/dbraw/zinc/40/42/35/534404235.db2.gz BYPUQOXROPYHIJ-OAHLLOKOSA-N 1 0 379.555 2.981 50 0 GFAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc(Cl)c1OCC(N)=O ZINC000027400526 522490795 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O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000236588209 553069437 /nfs/dbraw/zinc/06/94/37/553069437.db2.gz HHAQPJDXAHZPIT-ZBFHGGJFSA-N 1 0 379.298 2.739 50 0 GFAARO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Br)cc1 ZINC000299739273 563390910 /nfs/dbraw/zinc/39/09/10/563390910.db2.gz MRTYWIVCKURNLK-SRCQZFHVSA-N 1 0 396.329 2.602 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000047704846 570214481 /nfs/dbraw/zinc/21/44/81/570214481.db2.gz LKHVXEXCTIGAKH-HNNXBMFYSA-N 1 0 385.430 2.512 50 0 GFAARO C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCCCOC2CC[NH+](C)CC2)c1 ZINC000097243705 570239776 /nfs/dbraw/zinc/23/97/76/570239776.db2.gz GAPNQDNEKGCTHO-INIZCTEOSA-N 1 0 388.512 2.824 50 0 GFAARO Cc1cccc2ncc(C(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)c(=O)n12 ZINC000097301387 570241230 /nfs/dbraw/zinc/24/12/30/570241230.db2.gz UUOVRPMGZTVZAW-IBGZPJMESA-N 1 0 390.487 2.612 50 0 GFAARO COc1ccccc1-n1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cn1 ZINC000020418660 570255134 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GFAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1F ZINC000021698226 570305956 /nfs/dbraw/zinc/30/59/56/570305956.db2.gz CSPYJYKBFXRVRN-FQEVSTJZSA-N 1 0 396.466 2.983 50 0 GFAARO Cn1cc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+](C)C)c2ccccc21 ZINC000021698234 570306027 /nfs/dbraw/zinc/30/60/27/570306027.db2.gz JVEQLLFTRYKUOY-NRFANRHFSA-N 1 0 396.535 2.904 50 0 GFAARO C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)s1 ZINC000023053425 570341719 /nfs/dbraw/zinc/34/17/19/570341719.db2.gz SXBSBVFKSXNJTL-UHFFFAOYSA-N 1 0 398.916 2.509 50 0 GFAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CCCC2)c1 ZINC000237331257 570345646 /nfs/dbraw/zinc/34/56/46/570345646.db2.gz BFRVHFVTDLQKSN-MSOLQXFVSA-N 1 0 392.565 2.976 50 0 GFAARO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000004872206 570352443 /nfs/dbraw/zinc/35/24/43/570352443.db2.gz RDXGWTQVBXNKEE-KVZIAJEVSA-N 1 0 397.629 2.899 50 0 GFAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000004164071 570360537 /nfs/dbraw/zinc/36/05/37/570360537.db2.gz YSABIJDLIQPKRJ-HXUWFJFHSA-N 1 0 385.508 2.668 50 0 GFAARO Cc1cc(C)n(-c2ccc(N3CCC([N@H+](C)C[C@H]4COCCO4)CC3)cc2)n1 ZINC000023541235 570364733 /nfs/dbraw/zinc/36/47/33/570364733.db2.gz YMZNFWHXOFAYOR-QFIPXVFZSA-N 1 0 384.524 2.805 50 0 GFAARO O[C@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)Cn1ccc2ccccc21 ZINC000004299457 570366082 /nfs/dbraw/zinc/36/60/82/570366082.db2.gz QEHZWRGTPHJTNF-CQSZACIVSA-N 1 0 379.386 2.513 50 0 GFAARO COC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3cccnc3)c2)CC1 ZINC000023582053 570366493 /nfs/dbraw/zinc/36/64/93/570366493.db2.gz PVASGPNSVLGNTI-KRWDZBQOSA-N 1 0 383.492 2.890 50 0 GFAARO CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000033288324 570405909 /nfs/dbraw/zinc/40/59/09/570405909.db2.gz YFDFNBGBFCCFKO-UHFFFAOYSA-N 1 0 397.523 2.726 50 0 GFAARO C[NH+]1CCN(c2ccc(CNC(=O)C3(c4ccc(Cl)cc4)CC3)cn2)CC1 ZINC000025105390 570406191 /nfs/dbraw/zinc/40/61/91/570406191.db2.gz CFLVMOYSDJFPRW-UHFFFAOYSA-N 1 0 384.911 2.835 50 0 GFAARO COc1ccc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(OC)c1 ZINC000029969359 570408766 /nfs/dbraw/zinc/40/87/66/570408766.db2.gz WVFUMNBPXROQRT-VQHVLOKHSA-N 1 0 388.508 2.868 50 0 GFAARO Cc1ccn2ncc(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCOCC3)c2n1 ZINC000095959163 570432598 /nfs/dbraw/zinc/43/25/98/570432598.db2.gz WVGHFLOHROLWDX-QGZVFWFLSA-N 1 0 393.491 2.668 50 0 GFAARO CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000038545834 570433052 /nfs/dbraw/zinc/43/30/52/570433052.db2.gz PLYOFDPHAWSIQB-OAQYLSRUSA-N 1 0 385.508 2.618 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248159620 570445209 /nfs/dbraw/zinc/44/52/09/570445209.db2.gz FVKQFELKGIGCNI-QOIOWGMHSA-N 1 0 389.883 2.517 50 0 GFAARO CCCCN1C(=O)[C@@H]2[C@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248159617 570445243 /nfs/dbraw/zinc/44/52/43/570445243.db2.gz FVKQFELKGIGCNI-KSVNGYGVSA-N 1 0 389.883 2.517 50 0 GFAARO CCCC[N@@H+]1CCn2nc(CNC(=O)[C@@H]3CCOc4ccccc4C3)cc2C1 ZINC000426622906 570502151 /nfs/dbraw/zinc/50/21/51/570502151.db2.gz HPFDIWUHAPYXPJ-GOSISDBHSA-N 1 0 382.508 2.756 50 0 GFAARO Fc1c(F)c(F)c(-n2c[n+]3c(n2)CO[C@@H]2Cc4ccccc4[C@@H]23)c(F)c1F ZINC000034662593 570543020 /nfs/dbraw/zinc/54/30/20/570543020.db2.gz QYCVUBRNHFACFR-QGHHPUGFSA-N 1 0 380.296 2.900 50 0 GFAARO COc1cc(OC)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039478411 570592071 /nfs/dbraw/zinc/59/20/71/570592071.db2.gz MXRPTZMSHUGZCI-QGZVFWFLSA-N 1 0 378.513 2.524 50 0 GFAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000039533074 570593506 /nfs/dbraw/zinc/59/35/06/570593506.db2.gz CVTGOJIZUOJODF-LJQANCHMSA-N 1 0 382.508 2.743 50 0 GFAARO c1cn(CCC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cn1 ZINC000040719387 570604324 /nfs/dbraw/zinc/60/43/24/570604324.db2.gz OQPLSSDLNUCJBO-UHFFFAOYSA-N 1 0 375.436 2.831 50 0 GFAARO COc1ccc(C(=O)NCc2cnc(C)cn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012092091 570607762 /nfs/dbraw/zinc/60/77/62/570607762.db2.gz QYCUZRLMOVTECT-UHFFFAOYSA-N 1 0 398.507 2.975 50 0 GFAARO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC000012092985 570608150 /nfs/dbraw/zinc/60/81/50/570608150.db2.gz PLPQVVRRDAWKLN-SFHVURJKSA-N 1 0 396.535 2.755 50 0 GFAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012158998 570618972 /nfs/dbraw/zinc/61/89/72/570618972.db2.gz WZEQPZZALBQGAS-UHFFFAOYSA-N 1 0 394.479 2.823 50 0 GFAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCC[N@@H+](C)Cc1ccccc1)CO2 ZINC000006819723 570622069 /nfs/dbraw/zinc/62/20/69/570622069.db2.gz GOUQIMVVNITRIC-UHFFFAOYSA-N 1 0 390.487 2.999 50 0 GFAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)s1 ZINC000033011047 570623182 /nfs/dbraw/zinc/62/31/82/570623182.db2.gz UANBBZYJCUDXJS-UHFFFAOYSA-N 1 0 387.509 2.705 50 0 GFAARO Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000005600111 570667017 /nfs/dbraw/zinc/66/70/17/570667017.db2.gz LRRZWOSWEMMMAE-XMHGGMMESA-N 1 0 383.879 2.851 50 0 GFAARO Cc1ccc(C)c([C@H](C)NC(=O)CN2CC[NH+](C3CCSCC3)CC2)c1 ZINC000244601848 570694023 /nfs/dbraw/zinc/69/40/23/570694023.db2.gz DSUHHQHVCUPORE-SFHVURJKSA-N 1 0 375.582 2.994 50 0 GFAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1 ZINC000097940978 570742962 /nfs/dbraw/zinc/74/29/62/570742962.db2.gz MLYUFHCXOXVJNL-ZWKOTPCHSA-N 1 0 395.438 2.831 50 0 GFAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCOC)C(=O)N2CCc1ccccc1 ZINC000014534355 570847909 /nfs/dbraw/zinc/84/79/09/570847909.db2.gz HZRYDFZEDRKTIF-GOSISDBHSA-N 1 0 387.524 2.773 50 0 GFAARO CC(C)OCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014538552 570849199 /nfs/dbraw/zinc/84/91/99/570849199.db2.gz QJQAPHHMMDYPRY-MRXNPFEDSA-N 1 0 388.512 2.547 50 0 GFAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(CN4CCCC4)on3)cc2)CC1 ZINC000022937530 570882459 /nfs/dbraw/zinc/88/24/59/570882459.db2.gz MIYNYFJPAQJEEN-UHFFFAOYSA-N 1 0 397.523 2.660 50 0 GFAARO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000124074212 570882748 /nfs/dbraw/zinc/88/27/48/570882748.db2.gz FKMNPNKEQZZQML-SFHVURJKSA-N 1 0 387.505 2.876 50 0 GFAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000042379148 570890368 /nfs/dbraw/zinc/89/03/68/570890368.db2.gz AURZWLDIKJKQAL-HOTGVXAUSA-N 1 0 380.558 2.641 50 0 GFAARO CN(C[C@@H]1COc2ccccc2O1)C(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000534587700 570905365 /nfs/dbraw/zinc/90/53/65/570905365.db2.gz VFTZYZVFGGAFPK-GOSISDBHSA-N 1 0 385.464 2.725 50 0 GFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000534670796 570920239 /nfs/dbraw/zinc/92/02/39/570920239.db2.gz ZGIPUSTVHNSWNJ-UHFFFAOYSA-N 1 0 386.540 2.809 50 0 GFAARO CCOc1cc(C[NH2+][C@H]2C[C@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000105437939 570924907 /nfs/dbraw/zinc/92/49/07/570924907.db2.gz ZTPWPRKJFHXGFA-RISCZKNCSA-N 1 0 385.302 2.813 50 0 GFAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)COc1ccccc1F ZINC000032915987 570926986 /nfs/dbraw/zinc/92/69/86/570926986.db2.gz MTRQYWOVFGRYRM-SFHVURJKSA-N 1 0 385.483 2.922 50 0 GFAARO O=C(CNC(=O)c1ccccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000047493104 570959590 /nfs/dbraw/zinc/95/95/90/570959590.db2.gz JKRBSKQTKCRRND-UHFFFAOYSA-N 1 0 385.895 2.634 50 0 GFAARO O=C(Nc1cccnc1N1CCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047540562 570964175 /nfs/dbraw/zinc/96/41/75/570964175.db2.gz BZNQNZJCGIEAIB-UHFFFAOYSA-N 1 0 380.496 2.863 50 0 GFAARO C[C@H](CC[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)OCc1ccccc1 ZINC000252494153 570974781 /nfs/dbraw/zinc/97/47/81/570974781.db2.gz NMHSTOKTHAKNOA-GOSISDBHSA-N 1 0 384.524 2.857 50 0 GFAARO COc1ccc2occ([C@@H]3NC(=N)NC(Nc4ccc(F)cc4)=[NH+]3)c(=O)c2c1 ZINC000019330028 570975131 /nfs/dbraw/zinc/97/51/31/570975131.db2.gz GDMFXCWMPNLMSD-QGZVFWFLSA-N 1 0 381.367 2.535 50 0 GFAARO Cc1nn(C)c2ncc(C(=O)N[C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000252535716 570990219 /nfs/dbraw/zinc/99/02/19/570990219.db2.gz GRALOZNBSAJZSJ-QAPCUYQASA-N 1 0 377.492 2.917 50 0 GFAARO COc1cc(F)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC ZINC000045797451 570996681 /nfs/dbraw/zinc/99/66/81/570996681.db2.gz QADFJMNXLIUBSF-CQSZACIVSA-N 1 0 398.456 2.551 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C(C)(C)[NH3+] ZINC000091305959 571002799 /nfs/dbraw/zinc/00/27/99/571002799.db2.gz UODZZNJOVITTJC-QGZVFWFLSA-N 1 0 381.524 2.980 50 0 GFAARO CCn1nc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091427277 571007807 /nfs/dbraw/zinc/00/78/07/571007807.db2.gz FDCHLUFCLJOHRG-QZTJIDSGSA-N 1 0 376.545 2.583 50 0 GFAARO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091779267 571030305 /nfs/dbraw/zinc/03/03/05/571030305.db2.gz MHJUCGJUQGTWSB-NRFANRHFSA-N 1 0 383.496 2.795 50 0 GFAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000091808366 571031321 /nfs/dbraw/zinc/03/13/21/571031321.db2.gz VVFADFFVTTZMIN-QFIPXVFZSA-N 1 0 381.524 2.869 50 0 GFAARO CCCOc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000091859076 571033731 /nfs/dbraw/zinc/03/37/31/571033731.db2.gz UVOREFQSSLCTTO-IAGOWNOFSA-N 1 0 380.916 2.905 50 0 GFAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000092038694 571042166 /nfs/dbraw/zinc/04/21/66/571042166.db2.gz WXKUKAXTNFBUCV-LJQANCHMSA-N 1 0 377.554 2.529 50 0 GFAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 ZINC000092099210 571044995 /nfs/dbraw/zinc/04/49/95/571044995.db2.gz JJYLIPZSEGSUIC-JTQLQIEISA-N 1 0 381.263 2.501 50 0 GFAARO c1ccc(-c2ncc(CN3C[C@H]4CC[C@@H]3C[N@@H+](C3CCOCC3)C4)cn2)nc1 ZINC000095372502 571061747 /nfs/dbraw/zinc/06/17/47/571061747.db2.gz BQLQATDAIXKPNC-YLJYHZDGSA-N 1 0 379.508 2.614 50 0 GFAARO CCN1CC[C@@]2(CN(C(=O)c3ccc(C)c(Cl)c3)CC[N@@H+]2C)CCC1=O ZINC000095380744 571067298 /nfs/dbraw/zinc/06/72/98/571067298.db2.gz XTYYSBRBKHHFCD-HXUWFJFHSA-N 1 0 377.916 2.807 50 0 GFAARO CNC(=O)C[NH+]1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000095509702 571081234 /nfs/dbraw/zinc/08/12/34/571081234.db2.gz BCJXSLPFVOAETD-UHFFFAOYSA-N 1 0 385.552 2.706 50 0 GFAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[NH+]1CCSCC1 ZINC000002364154 654435978 /nfs/dbraw/zinc/43/59/78/654435978.db2.gz IKQKOBGGWLCDJT-UHFFFAOYSA-N 1 0 381.885 2.985 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 ZINC000040160835 654620886 /nfs/dbraw/zinc/62/08/86/654620886.db2.gz YJHYNAASYQETSP-XJKSGUPXSA-N 1 0 375.519 2.970 50 0 GFAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)N1CCC(Cc2ccccc2F)CC1 ZINC000426427920 231218968 /nfs/dbraw/zinc/21/89/68/231218968.db2.gz IXWGRKWHVVBPLI-IBGZPJMESA-N 1 0 377.504 2.637 50 0 GFAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H]([NH3+])C4)csc3C2)nc1 ZINC000426433649 529643324 /nfs/dbraw/zinc/64/33/24/529643324.db2.gz LRFYGYIQABMQAZ-MRXNPFEDSA-N 1 0 384.549 2.827 50 0 GFAARO C[N@@H+]1C[C@H](NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)C[C@H]1CO ZINC000426652941 529829476 /nfs/dbraw/zinc/82/94/76/529829476.db2.gz NEEMYNIVUNJQSQ-CABCVRRESA-N 1 0 379.382 2.562 50 0 GFAARO CNC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000426563101 529952537 /nfs/dbraw/zinc/95/25/37/529952537.db2.gz 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CC[NH+](CC)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000007686382 221005255 /nfs/dbraw/zinc/00/52/55/221005255.db2.gz SQQXSLLTCNISAD-LJQANCHMSA-N 1 0 378.476 2.746 50 0 GFAARO Cn1cccc1[C@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007856777 221014153 /nfs/dbraw/zinc/01/41/53/221014153.db2.gz JAWDMNJAWXWGOC-JOCHJYFZSA-N 1 0 380.536 2.943 50 0 GFAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539057 221001508 /nfs/dbraw/zinc/00/15/08/221001508.db2.gz CILOKCNWEDIIHX-UHFFFAOYSA-N 1 0 396.234 2.738 50 0 GFAARO O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008326598 221037196 /nfs/dbraw/zinc/03/71/96/221037196.db2.gz FLURVOJZXDQBBP-HXUWFJFHSA-N 1 0 377.488 2.747 50 0 GFAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000007985483 221019118 /nfs/dbraw/zinc/01/91/18/221019118.db2.gz YFCUWVGAGJJLAF-UHFFFAOYSA-N 1 0 387.933 2.841 50 0 GFAARO COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)c1 ZINC000009621980 221087439 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Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C/C=C/C(C)C)CC3)c(C)c1 ZINC000011965637 221140521 /nfs/dbraw/zinc/14/05/21/221140521.db2.gz LYLNQDDHOUVVKV-AATRIKPKSA-N 1 0 395.551 2.938 50 0 GFAARO COc1ccc(-c2noc(C[N@H+](C)CC3CCOCC3)n2)c(OC)c1OC ZINC000012297152 221175927 /nfs/dbraw/zinc/17/59/27/221175927.db2.gz JSXIHCANKPTUBO-UHFFFAOYSA-N 1 0 377.441 2.621 50 0 GFAARO CC(C)c1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000012322706 221181867 /nfs/dbraw/zinc/18/18/67/221181867.db2.gz ODFUJRAWWKYNLB-QGZVFWFLSA-N 1 0 392.463 2.629 50 0 GFAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(C)=O)O3)CC2)ccc1OC ZINC000012158284 221161589 /nfs/dbraw/zinc/16/15/89/221161589.db2.gz PQMMSQYOKHETIK-GOSISDBHSA-N 1 0 376.497 2.744 50 0 GFAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(OC)c(COC)c2)CC1 ZINC000012207756 221168504 /nfs/dbraw/zinc/16/85/04/221168504.db2.gz LWANUPTTWORTJI-UHFFFAOYSA-N 1 0 378.513 2.596 50 0 GFAARO Cn1cccc1-c1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000012445838 221196835 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GFAARO CC[C@@H](O)CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012712222 221220782 /nfs/dbraw/zinc/22/07/82/221220782.db2.gz GWCLPCFKZCMXCL-JOCHJYFZSA-N 1 0 387.568 2.559 50 0 GFAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cn2cncn2)cc1 ZINC000012761099 221228208 /nfs/dbraw/zinc/22/82/08/221228208.db2.gz BYFFDBOYLOHGQS-OAQYLSRUSA-N 1 0 375.476 2.893 50 0 GFAARO COCCN(Cc1cnn(C)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012835974 221237262 /nfs/dbraw/zinc/23/72/62/221237262.db2.gz GYCIGSGNSFXLDD-LJQANCHMSA-N 1 0 382.552 2.748 50 0 GFAARO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012875789 221239822 /nfs/dbraw/zinc/23/98/22/221239822.db2.gz FJYRMQUUHNNYGN-IEBWSBKVSA-N 1 0 375.472 2.892 50 0 GFAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C ZINC000013069475 221260820 /nfs/dbraw/zinc/26/08/20/221260820.db2.gz MWJZPPCIGOCVKM-IYBDPMFKSA-N 1 0 395.569 2.942 50 0 GFAARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3ccnn3C)nc21 ZINC000013655167 221279840 /nfs/dbraw/zinc/27/98/40/221279840.db2.gz HPWWIFKTZRMUFI-UHFFFAOYSA-N 1 0 387.509 2.945 50 0 GFAARO Cc1cnnn1-c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000013689908 221282407 /nfs/dbraw/zinc/28/24/07/221282407.db2.gz WNWHNHVFQUCLPZ-UHFFFAOYSA-N 1 0 376.464 2.580 50 0 GFAARO CCOc1cc(CNCCC[NH2+]C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736191 221287361 /nfs/dbraw/zinc/28/73/61/221287361.db2.gz UBNAMNMIWMGECZ-UHFFFAOYSA-N 1 0 382.468 2.552 50 0 GFAARO CN(C)C(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000014238419 221305910 /nfs/dbraw/zinc/30/59/10/221305910.db2.gz FBTHMEOPKXRUIE-CQSZACIVSA-N 1 0 375.296 2.533 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccoc2)CC1 ZINC000014978045 221323946 /nfs/dbraw/zinc/32/39/46/221323946.db2.gz JDYYWYYMDHECRT-UHFFFAOYSA-N 1 0 388.464 2.708 50 0 GFAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ocnc1C ZINC000014976202 221324103 /nfs/dbraw/zinc/32/41/03/221324103.db2.gz URDFKSGCHVWIBG-SFHVURJKSA-N 1 0 397.519 2.951 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000015002472 221326676 /nfs/dbraw/zinc/32/66/76/221326676.db2.gz XMQWFVRGXRIJOS-GOSISDBHSA-N 1 0 383.496 2.750 50 0 GFAARO O=C(Cc1noc2ccccc21)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000015675057 221338482 /nfs/dbraw/zinc/33/84/82/221338482.db2.gz MGYCHFZMBCNOED-UHFFFAOYSA-N 1 0 378.476 2.699 50 0 GFAARO O=C(CN1c2ccccc2Oc2ncccc2C1=O)NCCC[NH+]1CCCCC1 ZINC000015679945 221340176 /nfs/dbraw/zinc/34/01/76/221340176.db2.gz CLVABGRQUKRLLO-UHFFFAOYSA-N 1 0 394.475 2.826 50 0 GFAARO CC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000018223084 221391430 /nfs/dbraw/zinc/39/14/30/221391430.db2.gz ZOSPMJLHZSXAQH-FQEVSTJZSA-N 1 0 375.428 2.835 50 0 GFAARO C[C@@H](CCC(=O)N1CCC(c2nccn2CC2CCC2)CC1)[NH+]1CCOCC1 ZINC000091830707 533514586 /nfs/dbraw/zinc/51/45/86/533514586.db2.gz WSQCFAWNMHLQJK-SFHVURJKSA-N 1 0 388.556 2.890 50 0 GFAARO Cc1cc(NC(=O)[C@H](C)Sc2nncs2)ccc1N1CC[NH+](C)CC1 ZINC000058305376 136155209 /nfs/dbraw/zinc/15/52/09/136155209.db2.gz NCFVYWLBSTXUCK-ZDUSSCGKSA-N 1 0 377.539 2.718 50 0 GFAARO c1ccc(N2CCc3nc(N4CC[NH+](CCc5ccncc5)CC4)ncc32)cc1 ZINC000065526275 136164153 /nfs/dbraw/zinc/16/41/53/136164153.db2.gz XVGIMENCVPCYDO-UHFFFAOYSA-N 1 0 386.503 2.931 50 0 GFAARO Cc1c2ccccc2n(C)c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067689041 136164873 /nfs/dbraw/zinc/16/48/73/136164873.db2.gz IYKZRESECAYKPQ-UHFFFAOYSA-N 1 0 377.492 2.564 50 0 GFAARO Cc1cc(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000091289291 136176361 /nfs/dbraw/zinc/17/63/61/136176361.db2.gz ABPGDDVHNNQZFA-UHFFFAOYSA-N 1 0 394.523 2.655 50 0 GFAARO CCOC(=O)C[C@@](C)(NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000170599911 136198871 /nfs/dbraw/zinc/19/88/71/136198871.db2.gz ZPAZAHOALJYEBN-JOCHJYFZSA-N 1 0 389.540 2.683 50 0 GFAARO C[N@H+](CCOc1ccccc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000057296955 222030682 /nfs/dbraw/zinc/03/06/82/222030682.db2.gz NSIBFVYYDZBGGH-UHFFFAOYSA-N 1 0 388.265 2.968 50 0 GFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)s1 ZINC000055168884 222015400 /nfs/dbraw/zinc/01/54/00/222015400.db2.gz XOXJZLHOVVAWBL-CQSZACIVSA-N 1 0 394.566 2.519 50 0 GFAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000055359009 222021448 /nfs/dbraw/zinc/02/14/48/222021448.db2.gz ONFJMJAEQDXAKH-GOSISDBHSA-N 1 0 381.476 2.775 50 0 GFAARO Cc1ccc(OCC[N@@H+](C)Cc2ccc(CN(C)S(C)(=O)=O)o2)c(C)c1 ZINC000055415106 222022819 /nfs/dbraw/zinc/02/28/19/222022819.db2.gz GBLKEFQCNLBYBO-UHFFFAOYSA-N 1 0 380.510 2.799 50 0 GFAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170205 222104462 /nfs/dbraw/zinc/10/44/62/222104462.db2.gz QFNXPAZRWCOFIT-QHCPKHFHSA-N 1 0 391.515 2.915 50 0 GFAARO CCOC(=O)c1sc(NC(=O)C[N@H+](CCC(=O)OC)C2CCCC2)cc1C ZINC000062580538 222066134 /nfs/dbraw/zinc/06/61/34/222066134.db2.gz YPEOOENMKYOCLF-UHFFFAOYSA-N 1 0 396.509 2.979 50 0 GFAARO CCOC(=O)c1c(C)c(CCC(=O)NCC[NH+]2CCCCCC2)n(C)c1C ZINC000064970586 222091300 /nfs/dbraw/zinc/09/13/00/222091300.db2.gz OIWBSXAQYCYMNR-UHFFFAOYSA-N 1 0 377.529 2.743 50 0 GFAARO COc1cc(C[C@@H](C)[N@@H+]2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O ZINC000065469784 222131902 /nfs/dbraw/zinc/13/19/02/222131902.db2.gz SZFYILILUKAVRK-MRXNPFEDSA-N 1 0 398.507 2.670 50 0 GFAARO CCOc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCCCCC3)C2C(=O)OC)cc1 ZINC000067287175 222143447 /nfs/dbraw/zinc/14/34/47/222143447.db2.gz JEXXEZGRTMNGQL-LJQANCHMSA-N 1 0 387.480 2.742 50 0 GFAARO COc1cccc(CN2CCC[C@](O)(C[N@H+](C)Cc3ccccc3)C2=O)c1OC ZINC000067695514 222155160 /nfs/dbraw/zinc/15/51/60/222155160.db2.gz DKOIZMXACMFFFI-QHCPKHFHSA-N 1 0 398.503 2.689 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CC3CCCCC3)C2=O)c1 ZINC000067804355 222159735 /nfs/dbraw/zinc/15/97/35/222159735.db2.gz HWGWLQJBXHLAGO-OAQYLSRUSA-N 1 0 378.488 2.858 50 0 GFAARO C[NH2+]C1CCN(c2ccc(C(=O)NCCCc3ccc(OC)cc3)cn2)CC1 ZINC000067819050 222160789 /nfs/dbraw/zinc/16/07/89/222160789.db2.gz MAVNIKOQIDUPMG-UHFFFAOYSA-N 1 0 382.508 2.641 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(C)ccc3F)CC2)C1 ZINC000067805581 222161526 /nfs/dbraw/zinc/16/15/26/222161526.db2.gz BODZDEFMGVLMEF-SFHVURJKSA-N 1 0 391.531 2.573 50 0 GFAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC[N@H+](C)CC3)nc2)C1 ZINC000067850409 222164060 /nfs/dbraw/zinc/16/40/60/222164060.db2.gz KSLXZZRNAYBSOS-IBGZPJMESA-N 1 0 386.540 2.691 50 0 GFAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CCC[N@H+](C)C2)nc1 ZINC000071315345 222180519 /nfs/dbraw/zinc/18/05/19/222180519.db2.gz LGKHENYHOBODTH-SFHVURJKSA-N 1 0 384.528 2.728 50 0 GFAARO O=C(Nc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071576027 222184702 /nfs/dbraw/zinc/18/47/02/222184702.db2.gz QPTLUIBMMKOIFM-PWRODBHTSA-N 1 0 375.472 2.714 50 0 GFAARO CS(=O)(=O)c1cnc(COc2ccc(Cl)cc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071440108 222186147 /nfs/dbraw/zinc/18/61/47/222186147.db2.gz UFMKQVOCJAXJDF-GFCCVEGCSA-N 1 0 381.885 2.580 50 0 GFAARO O=C(c1nc2ccccn2c1-c1ncc[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000071746376 222188036 /nfs/dbraw/zinc/18/80/36/222188036.db2.gz NYVNOCGDAPQCHV-UHFFFAOYSA-N 1 0 378.480 2.815 50 0 GFAARO CC(C)[C@@H]1CN(S(=O)(=O)N2CCCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746367 222188442 /nfs/dbraw/zinc/18/84/42/222188442.db2.gz PSZHVNGRYIDVGJ-IBGZPJMESA-N 1 0 383.533 2.699 50 0 GFAARO Cc1nc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)sc1C ZINC000071755245 222192311 /nfs/dbraw/zinc/19/23/11/222192311.db2.gz RBUUKTXGMYNOJT-UHFFFAOYSA-N 1 0 383.521 2.682 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCCn2cncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072162043 222214568 /nfs/dbraw/zinc/21/45/68/222214568.db2.gz SCVJMPMKKZYIFM-FQEVSTJZSA-N 1 0 387.503 2.957 50 0 GFAARO CC(C)OCC[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000072307355 222222004 /nfs/dbraw/zinc/22/20/04/222222004.db2.gz HCQHXUGYBUCQSV-UHFFFAOYSA-N 1 0 398.345 2.820 50 0 GFAARO Cc1nnc(CCC(=O)N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000072419965 222257313 /nfs/dbraw/zinc/25/73/13/222257313.db2.gz QARVQWUWVGVXPO-QFIPXVFZSA-N 1 0 381.524 2.951 50 0 GFAARO CCN1CC2(CC1=O)CC[NH+](Cc1ccccc1OCCn1ccnc1)CC2 ZINC000072447912 222262118 /nfs/dbraw/zinc/26/21/18/222262118.db2.gz ZYFFRHVEHKDJCA-UHFFFAOYSA-N 1 0 382.508 2.797 50 0 GFAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000095499947 222333850 /nfs/dbraw/zinc/33/38/50/222333850.db2.gz VDICDXYKIGSEFM-IBGZPJMESA-N 1 0 383.492 2.929 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000095502393 222336614 /nfs/dbraw/zinc/33/66/14/222336614.db2.gz WLUDZIZORFVHTJ-LJQANCHMSA-N 1 0 387.524 2.625 50 0 GFAARO [NH3+][C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)C1CCCCC1 ZINC000095503135 222337073 /nfs/dbraw/zinc/33/70/73/222337073.db2.gz MLXXJFLTVQBORN-FQEVSTJZSA-N 1 0 381.524 2.940 50 0 GFAARO O=C(Nc1ccc(-n2cncn2)cc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095508439 222340741 /nfs/dbraw/zinc/34/07/41/222340741.db2.gz DAUNIKCRJRRTSG-UHFFFAOYSA-N 1 0 388.475 2.584 50 0 GFAARO CN(C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000095512898 222342441 /nfs/dbraw/zinc/34/24/41/222342441.db2.gz YAAWCXNDHXPZFC-HXUWFJFHSA-N 1 0 380.492 2.827 50 0 GFAARO Cc1c(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2c(n1CC(C)C)CC(C)(C)CC2=O ZINC000095511245 222342545 /nfs/dbraw/zinc/34/25/45/222342545.db2.gz FIFJUTWOTDSVLB-CALCHBBNSA-N 1 0 385.552 2.828 50 0 GFAARO Cc1ccc(OC2(C(=O)N(C)Cc3[nH]nc4c3CCCC4)CC[NH2+]CC2)cc1 ZINC000077299400 222278039 /nfs/dbraw/zinc/27/80/39/222278039.db2.gz DCSWNYZFCVSBIA-UHFFFAOYSA-N 1 0 382.508 2.757 50 0 GFAARO CN(Cc1nc2ccccc2s1)C(=O)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077407987 222280890 /nfs/dbraw/zinc/28/08/90/222280890.db2.gz KWDMOBKCRYCHPE-CQSZACIVSA-N 1 0 384.509 2.692 50 0 GFAARO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)[C@H]([NH3+])C(C)C ZINC000077440065 222283251 /nfs/dbraw/zinc/28/32/51/222283251.db2.gz ITZPEEPPNSTKRZ-HFSMHLIXSA-N 1 0 393.487 2.662 50 0 GFAARO C[NH+](C)[C@H]1CCCCN(C(=O)CCSc2nnc(-c3ccncc3)o2)C1 ZINC000082161647 222312145 /nfs/dbraw/zinc/31/21/45/222312145.db2.gz OWJWESDWLCBRPB-HNNXBMFYSA-N 1 0 375.498 2.557 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C)C1CC1 ZINC000084325620 222315099 /nfs/dbraw/zinc/31/50/99/222315099.db2.gz ILPLZQKGHWRKIS-SFHVURJKSA-N 1 0 397.523 2.700 50 0 GFAARO CCOc1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1C(F)(F)F ZINC000096137326 222385599 /nfs/dbraw/zinc/38/55/99/222385599.db2.gz PBNFSESOSNWOEW-CYBMUJFWSA-N 1 0 389.418 2.930 50 0 GFAARO COc1ccc([C@@H](CNC(=O)CCc2nc3cccnc3[nH]2)[NH+]2CCCC2)cc1 ZINC000079495476 525182429 /nfs/dbraw/zinc/18/24/29/525182429.db2.gz YLODQDPQLWCIFH-LJQANCHMSA-N 1 0 393.491 2.852 50 0 GFAARO CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426383371 528086384 /nfs/dbraw/zinc/08/63/84/528086384.db2.gz UVCZNTUKOVJBDZ-OAQYLSRUSA-N 1 0 393.478 2.648 50 0 GFAARO COc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)[NH+](C)C)cc1 ZINC000003422527 551093459 /nfs/dbraw/zinc/09/34/59/551093459.db2.gz OKLINPZPAOUHLX-MRXNPFEDSA-N 1 0 378.270 2.885 50 0 GFAARO CCOc1c(C[NH2+]CCCN2CCOCC2)cc(Br)cc1OC ZINC000020477824 551115847 /nfs/dbraw/zinc/11/58/47/551115847.db2.gz LPZBARRNRQWXPH-UHFFFAOYSA-N 1 0 387.318 2.668 50 0 GFAARO Cc1csc(=O)n1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000027573833 551123079 /nfs/dbraw/zinc/12/30/79/551123079.db2.gz HQMLSBCOOJRPFP-HNNXBMFYSA-N 1 0 379.551 2.869 50 0 GFAARO Brc1ccc2nc(CN3CC[NH+](C[C@H]4CCOC4)CC3)oc2c1 ZINC000241720786 553087430 /nfs/dbraw/zinc/08/74/30/553087430.db2.gz QSHJARWXPJTCLN-CYBMUJFWSA-N 1 0 380.286 2.744 50 0 GFAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000252458586 553149756 /nfs/dbraw/zinc/14/97/56/553149756.db2.gz VIVJEBCREQPPIC-ZBFHGGJFSA-N 1 0 395.345 2.669 50 0 GFAARO COCCN1C[C@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000299788410 563390937 /nfs/dbraw/zinc/39/09/37/563390937.db2.gz PDUZPRKAMJHEHC-AWEZNQCLSA-N 1 0 386.323 2.610 50 0 GFAARO O=S(=O)(CCOc1ccccc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000377840237 563487989 /nfs/dbraw/zinc/48/79/89/563487989.db2.gz QGXIJNQOYQUCPN-UHFFFAOYSA-N 1 0 380.535 2.711 50 0 GFAARO Cc1ccsc1C[N@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000019739607 570212220 /nfs/dbraw/zinc/21/22/20/570212220.db2.gz YGCKQLIPFFQSOU-UHFFFAOYSA-N 1 0 381.505 2.636 50 0 GFAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@H](C)CCO)CC2)c1 ZINC000019745619 570213645 /nfs/dbraw/zinc/21/36/45/570213645.db2.gz XXOVAZDOZTWMEZ-MRXNPFEDSA-N 1 0 376.497 2.545 50 0 GFAARO COC(=O)c1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019818215 570221940 /nfs/dbraw/zinc/22/19/40/570221940.db2.gz NUEJFDWDVOUORI-UHFFFAOYSA-N 1 0 381.476 2.620 50 0 GFAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4F)C3=O)c2c1 ZINC000019932124 570231356 /nfs/dbraw/zinc/23/13/56/570231356.db2.gz CXNNSPURFODXSU-GOSISDBHSA-N 1 0 381.407 2.780 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000048354036 570241036 /nfs/dbraw/zinc/24/10/36/570241036.db2.gz PIAKUFKWYZRDCW-RVKKMQEKSA-N 1 0 379.526 2.671 50 0 GFAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000020254824 570250238 /nfs/dbraw/zinc/25/02/38/570250238.db2.gz CKSJPRYONOCPHC-QGZVFWFLSA-N 1 0 382.489 2.904 50 0 GFAARO Cc1ncc2c(c1-c1noc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)n1)CC[NH2+]C2 ZINC000020535543 570265781 /nfs/dbraw/zinc/26/57/81/570265781.db2.gz ZGUKWIYQSAXMDY-CYBMUJFWSA-N 1 0 393.422 2.745 50 0 GFAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000020534976 570265903 /nfs/dbraw/zinc/26/59/03/570265903.db2.gz QMNRCNFCHUPVFM-MRXNPFEDSA-N 1 0 397.441 2.656 50 0 GFAARO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCCc4ccccc4)CC3)C2=O)cc1 ZINC000100218678 570269107 /nfs/dbraw/zinc/26/91/07/570269107.db2.gz RZPHORQUHOIJAY-QFIPXVFZSA-N 1 0 391.515 2.877 50 0 GFAARO OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1CCCc1ccccc1 ZINC000020600137 570270053 /nfs/dbraw/zinc/27/00/53/570270053.db2.gz AIPZATLZPMRPKD-QFIPXVFZSA-N 1 0 396.531 2.959 50 0 GFAARO CCN1CCN(C(=S)SCC(=O)Nc2nc3ccccc3s2)CC1 ZINC000043214983 570271330 /nfs/dbraw/zinc/27/13/30/570271330.db2.gz ZFEZMRKWXZXNMW-UHFFFAOYSA-N 1 0 380.564 2.890 50 0 GFAARO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000020998739 570286965 /nfs/dbraw/zinc/28/69/65/570286965.db2.gz SBJDLFQECAKTHI-QFIPXVFZSA-N 1 0 376.504 2.941 50 0 GFAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000102478295 570289167 /nfs/dbraw/zinc/28/91/67/570289167.db2.gz ARPQKNKXDXCCCO-DZFIZOCASA-N 1 0 384.863 2.899 50 0 GFAARO C[NH+]1CCN(CCOc2ccccc2CN2CC(Oc3ccccc3)C2)CC1 ZINC000215982309 570294292 /nfs/dbraw/zinc/29/42/92/570294292.db2.gz ZBNJYCPECLRYPA-UHFFFAOYSA-N 1 0 381.520 2.576 50 0 GFAARO OCC[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[N@@H+]1CCc1ccccc1 ZINC000106981157 570307601 /nfs/dbraw/zinc/30/76/01/570307601.db2.gz IIVDXYGLLGMMQZ-HXUWFJFHSA-N 1 0 378.476 2.852 50 0 GFAARO Cc1oc(-c2cccc(F)c2)nc1CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107410459 570309336 /nfs/dbraw/zinc/30/93/36/570309336.db2.gz GJJXEEPZNDHDJU-OAQYLSRUSA-N 1 0 386.471 2.575 50 0 GFAARO Cc1ccc2[nH]c(SCC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000022733674 570325489 /nfs/dbraw/zinc/32/54/89/570325489.db2.gz UCHHZIOSTRZTJI-GJZGRUSLSA-N 1 0 376.526 2.579 50 0 GFAARO COc1cc(OC)c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000022851369 570331768 /nfs/dbraw/zinc/33/17/68/570331768.db2.gz PEGYMLLXHLOHCT-GOSISDBHSA-N 1 0 392.540 2.914 50 0 GFAARO COc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022930903 570336763 /nfs/dbraw/zinc/33/67/63/570336763.db2.gz OAAMFUGEEDICOY-UHFFFAOYSA-N 1 0 383.492 2.850 50 0 GFAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CC[NH+](C)CC2)n3C)cc1 ZINC000022939877 570338755 /nfs/dbraw/zinc/33/87/55/570338755.db2.gz TYEWANBSBNFHKQ-UHFFFAOYSA-N 1 0 391.519 2.924 50 0 GFAARO COc1ccc(-c2nn3c(nc(C)cc3N3CC[NH+](C)CC3)c2C)cc1OC ZINC000023118836 570344715 /nfs/dbraw/zinc/34/47/15/570344715.db2.gz VAJDBDFRIKTTRC-UHFFFAOYSA-N 1 0 381.480 2.782 50 0 GFAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000035374957 570345377 /nfs/dbraw/zinc/34/53/77/570345377.db2.gz HLJFSDOUDBCMRB-XGYURREPSA-N 1 0 389.883 2.515 50 0 GFAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000023128657 570345445 /nfs/dbraw/zinc/34/54/45/570345445.db2.gz WEEDDXMMGASAPE-HSZRJFAPSA-N 1 0 376.504 2.941 50 0 GFAARO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1CCc1ccccc1 ZINC000023129290 570345809 /nfs/dbraw/zinc/34/58/09/570345809.db2.gz PXWSWXBLUDILNX-XMMPIXPASA-N 1 0 390.531 2.984 50 0 GFAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000023243383 570352335 /nfs/dbraw/zinc/35/23/35/570352335.db2.gz ZWDYLCMAZKUYMH-UHFFFAOYSA-N 1 0 375.513 2.944 50 0 GFAARO Cn1ncc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CCCn3cccn3)s2)n1 ZINC000023380014 570359519 /nfs/dbraw/zinc/35/95/19/570359519.db2.gz RCXBSYGFBBVOJE-CQSZACIVSA-N 1 0 385.497 2.553 50 0 GFAARO C[C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)[C@H]1C[NH3+] ZINC000237445064 570359678 /nfs/dbraw/zinc/35/96/78/570359678.db2.gz CKJOTKLGBKGPJD-UZLBHIALSA-N 1 0 386.517 2.860 50 0 GFAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccs1)c1csc2ccccc21 ZINC000575619441 570368136 /nfs/dbraw/zinc/36/81/36/570368136.db2.gz FBUBCMWSGVPTHQ-MRXNPFEDSA-N 1 0 387.530 2.998 50 0 GFAARO COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035485481 570374869 /nfs/dbraw/zinc/37/48/69/570374869.db2.gz XTBCBWSEAIHGDV-NRFANRHFSA-N 1 0 393.487 2.587 50 0 GFAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000219970890 570379359 /nfs/dbraw/zinc/37/93/59/570379359.db2.gz RRAXXMMJAMIYDJ-KRWDZBQOSA-N 1 0 378.538 2.502 50 0 GFAARO Cc1nc(C2CCN(C(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)CC2)cc(=O)[nH]1 ZINC000220142039 570382787 /nfs/dbraw/zinc/38/27/87/570382787.db2.gz UDBAIRDLLRUBPE-LJQANCHMSA-N 1 0 380.492 2.686 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000032951769 570398917 /nfs/dbraw/zinc/39/89/17/570398917.db2.gz LZNNFSJRQIRHBW-UHFFFAOYSA-N 1 0 379.526 2.532 50 0 GFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000025075196 570405436 /nfs/dbraw/zinc/40/54/36/570405436.db2.gz XWVRESILYKSVJP-UHFFFAOYSA-N 1 0 390.491 2.639 50 0 GFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000025101167 570406289 /nfs/dbraw/zinc/40/62/89/570406289.db2.gz FQLNKBWQEKUKMI-OAHLLOKOSA-N 1 0 386.521 2.565 50 0 GFAARO CCc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nn2)[NH+](C)C)cc1 ZINC000032734320 570409094 /nfs/dbraw/zinc/40/90/94/570409094.db2.gz LRIWRJQWXWUYRM-OAQYLSRUSA-N 1 0 377.492 2.922 50 0 GFAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3sccc3C)C2=O)cc1 ZINC000004827012 570409137 /nfs/dbraw/zinc/40/91/37/570409137.db2.gz AGTHZVGZYRKFNU-MRXNPFEDSA-N 1 0 386.473 2.697 50 0 GFAARO CC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000026757644 570428339 /nfs/dbraw/zinc/42/83/39/570428339.db2.gz PBTZMHQNXUIPDD-JOCHJYFZSA-N 1 0 382.504 2.755 50 0 GFAARO CCN(CCCNC(=O)c1c(C)oc2c1C1=NCCN1C=N2)c1ccccc1 ZINC000100696093 570432492 /nfs/dbraw/zinc/43/24/92/570432492.db2.gz KZPVIIQHADEBNN-UHFFFAOYSA-N 1 0 379.464 2.970 50 0 GFAARO Cc1oc2c(c1C(=O)NCC[N@H+](Cc1ccccc1)C(C)C)C1=NCCN1C=N2 ZINC000100696242 570432701 /nfs/dbraw/zinc/43/27/01/570432701.db2.gz DTPCNAMQWNNWHA-UHFFFAOYSA-N 1 0 393.491 2.964 50 0 GFAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)c2cccs2)CC1 ZINC000027389354 570434124 /nfs/dbraw/zinc/43/41/24/570434124.db2.gz HWQLYSWHAVTMAX-KRWDZBQOSA-N 1 0 385.533 2.909 50 0 GFAARO O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000244608515 570436040 /nfs/dbraw/zinc/43/60/40/570436040.db2.gz FEAPOPOMMSMMKG-MQSCRBSSSA-N 1 0 399.579 2.783 50 0 GFAARO O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000244608514 570436091 /nfs/dbraw/zinc/43/60/91/570436091.db2.gz FEAPOPOMMSMMKG-FUDKSRODSA-N 1 0 399.579 2.783 50 0 GFAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000028007215 570449422 /nfs/dbraw/zinc/44/94/22/570449422.db2.gz ULHCPGMHJIOHOQ-UHFFFAOYSA-N 1 0 396.882 2.925 50 0 GFAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000028067502 570450404 /nfs/dbraw/zinc/45/04/04/570450404.db2.gz PINUIXDRVKCQFS-MRXNPFEDSA-N 1 0 377.916 2.931 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000072281866 570466043 /nfs/dbraw/zinc/46/60/43/570466043.db2.gz HAGAVEMTOPEORY-UHFFFAOYSA-N 1 0 398.551 2.879 50 0 GFAARO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C)CC1 ZINC000252504836 570477185 /nfs/dbraw/zinc/47/71/85/570477185.db2.gz VNABNVFHVTZMMC-UHFFFAOYSA-N 1 0 375.473 2.691 50 0 GFAARO C[NH+](C)C1(CNC(=O)c2ccccc2CSC2=NCCS2)CCOCC1 ZINC000072310195 570541681 /nfs/dbraw/zinc/54/16/81/570541681.db2.gz ZNLFZJZAPCNAJG-UHFFFAOYSA-N 1 0 393.578 2.863 50 0 GFAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022765433 570543195 /nfs/dbraw/zinc/54/31/95/570543195.db2.gz GFCWKLMVXCVOTA-GOSISDBHSA-N 1 0 393.940 2.885 50 0 GFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000459244665 570548676 /nfs/dbraw/zinc/54/86/76/570548676.db2.gz AWXQILBHGDPUOL-KRWDZBQOSA-N 1 0 378.948 2.899 50 0 GFAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000035421979 570553018 /nfs/dbraw/zinc/55/30/18/570553018.db2.gz IDDITRSMTQGCJD-UHFFFAOYSA-N 1 0 396.329 2.513 50 0 GFAARO CNC(=O)c1ccn([C@H]2CCCN(Cc3[nH+]c(C(C)C)n4ccccc34)C2)n1 ZINC000225423860 570572923 /nfs/dbraw/zinc/57/29/23/570572923.db2.gz CJLQKDKKPMMJIZ-INIZCTEOSA-N 1 0 380.496 2.851 50 0 GFAARO Cc1ccc2c(c1)CN(CCNC(=O)[C@H]1COc3ccccc3C1)C[C@@H](C)O2 ZINC000039355298 570589508 /nfs/dbraw/zinc/58/95/08/570589508.db2.gz LMDATTPZGPLQJT-YLJYHZDGSA-N 1 0 380.488 2.945 50 0 GFAARO CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000364628915 570592281 /nfs/dbraw/zinc/59/22/81/570592281.db2.gz MQNAPHIQTNOJBC-GUDVDZBRSA-N 1 0 394.537 2.554 50 0 GFAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1 ZINC000039532661 570593265 /nfs/dbraw/zinc/59/32/65/570593265.db2.gz KDCHDWSONZXDML-NRFANRHFSA-N 1 0 386.471 2.546 50 0 GFAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000040720370 570605507 /nfs/dbraw/zinc/60/55/07/570605507.db2.gz YASQDHDYIMVBSS-UHFFFAOYSA-N 1 0 397.519 2.824 50 0 GFAARO CCCOc1c(Cl)cc(C[NH2+]CCCSc2nnnn2C)cc1OC ZINC000040744607 570614104 /nfs/dbraw/zinc/61/41/04/570614104.db2.gz YWZKPGKGHGEGPT-UHFFFAOYSA-N 1 0 385.921 2.933 50 0 GFAARO C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)C2=Cc3ccccc3CC2)C[C@H](C)O1 ZINC000229656595 570665801 /nfs/dbraw/zinc/66/58/01/570665801.db2.gz DJZWGVVBQSVULJ-FUHIMQAGSA-N 1 0 390.549 2.877 50 0 GFAARO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OCCC(C)C)c1 ZINC000239637099 570684077 /nfs/dbraw/zinc/68/40/77/570684077.db2.gz BIUVEWSKGKGMAK-KRWDZBQOSA-N 1 0 378.513 2.697 50 0 GFAARO COc1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(OC(C)C)c1 ZINC000242147500 570688683 /nfs/dbraw/zinc/68/86/83/570688683.db2.gz WSHMLZVZDHWDNO-LJQANCHMSA-N 1 0 398.503 2.631 50 0 GFAARO COCCn1c(COc2ccc(F)c(C(F)(F)F)c2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244685589 570694759 /nfs/dbraw/zinc/69/47/59/570694759.db2.gz ISVDOVQVEFWISX-XYPYZODXSA-N 1 0 388.365 2.866 50 0 GFAARO CCc1nnc(NC(=O)CC[N@@H+]2CCCOc3c(cccc3OC)C2)s1 ZINC000244701220 570694844 /nfs/dbraw/zinc/69/48/44/570694844.db2.gz KCIGPKJZZYVIHI-UHFFFAOYSA-N 1 0 376.482 2.722 50 0 GFAARO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000006941602 570714986 /nfs/dbraw/zinc/71/49/86/570714986.db2.gz ALWRHVSNUYDFIO-ZIFCJYIRSA-N 1 0 387.524 2.675 50 0 GFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000004077832 570731618 /nfs/dbraw/zinc/73/16/18/570731618.db2.gz OAJLQPRPESRYDW-ZIAGYGMSSA-N 1 0 381.879 2.823 50 0 GFAARO O=C(NCCc1ccccn1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256264 570755233 /nfs/dbraw/zinc/75/52/33/570755233.db2.gz NPUPMXODSSPEHK-OAQYLSRUSA-N 1 0 387.487 2.600 50 0 GFAARO Cc1ccnc(N2CCC(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000065001753 570773115 /nfs/dbraw/zinc/77/31/15/570773115.db2.gz BMYTVDSDWMFFGT-UHFFFAOYSA-N 1 0 393.535 2.566 50 0 GFAARO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1NS(C)(=O)=O ZINC000032731192 570776782 /nfs/dbraw/zinc/77/67/82/570776782.db2.gz LUZCYCPJJREEPN-GOSISDBHSA-N 1 0 393.484 2.538 50 0 GFAARO CC[NH+](CC)CCNC(=O)c1nc2csc(C)c2c(N2CCSCC2)n1 ZINC000065283378 570780703 /nfs/dbraw/zinc/78/07/03/570780703.db2.gz AQTHUICXJPCROX-UHFFFAOYSA-N 1 0 393.582 2.625 50 0 GFAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000005672626 570797694 /nfs/dbraw/zinc/79/76/94/570797694.db2.gz SUCJWCZZDVTGRN-SFHVURJKSA-N 1 0 387.524 2.803 50 0 GFAARO CSc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032776723 570798899 /nfs/dbraw/zinc/79/88/99/570798899.db2.gz DAPNLQCNOBORJN-UHFFFAOYSA-N 1 0 384.549 2.974 50 0 GFAARO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004479631 570802620 /nfs/dbraw/zinc/80/26/20/570802620.db2.gz YBRNECUXSSJWJA-KRWDZBQOSA-N 1 0 390.528 2.612 50 0 GFAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@H+](Cc2ccncc2)C1 ZINC000014531221 570847641 /nfs/dbraw/zinc/84/76/41/570847641.db2.gz DRBUPNNKODRBMN-SJORKVTESA-N 1 0 396.466 2.576 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014531820 570847702 /nfs/dbraw/zinc/84/77/02/570847702.db2.gz MGZPVTDQIAEMKT-SFHVURJKSA-N 1 0 378.520 2.753 50 0 GFAARO Cc1ccc(F)cc1NC(=O)CNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072145777 570871655 /nfs/dbraw/zinc/87/16/55/570871655.db2.gz GWGQTOMVTWYEAV-UHFFFAOYSA-N 1 0 378.411 2.640 50 0 GFAARO CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264591 570882829 /nfs/dbraw/zinc/88/28/29/570882829.db2.gz SXGHBIDAUAHQIS-FXAWDEMLSA-N 1 0 386.540 2.810 50 0 GFAARO O=C(CCn1nnc2ccccc21)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000299798465 570897756 /nfs/dbraw/zinc/89/77/56/570897756.db2.gz RVRNDEKGLVHOSH-UHFFFAOYSA-N 1 0 377.492 2.817 50 0 GFAARO COCCOc1ccc([C@H](C)[N@H+](C)C[C@H](O)COCCOC(C)C)cc1OC ZINC000097165445 570901780 /nfs/dbraw/zinc/90/17/80/570901780.db2.gz ZBGIHTDKKDFJDV-HKUYNNGSSA-N 1 0 399.528 2.516 50 0 GFAARO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3C)[NH+](C)C)cc1 ZINC000534590160 570906044 /nfs/dbraw/zinc/90/60/44/570906044.db2.gz ACCWLWBIIFOYAN-SFHVURJKSA-N 1 0 382.464 2.775 50 0 GFAARO CCn1ncnc1[C@H](C)NC(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000534644799 570909647 /nfs/dbraw/zinc/90/96/47/570909647.db2.gz KOLWRHSTKHTGGZ-KRWDZBQOSA-N 1 0 384.528 2.913 50 0 GFAARO Cc1ccsc1[C@@H](CNC(=O)Nc1ccc2c(c1)OCC(=O)N2C)[NH+](C)C ZINC000534631821 570910410 /nfs/dbraw/zinc/91/04/10/570910410.db2.gz JYFHLIOEGRLHNM-OAHLLOKOSA-N 1 0 388.493 2.836 50 0 GFAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127452 570912367 /nfs/dbraw/zinc/91/23/67/570912367.db2.gz IOXZREIFDZDWTL-UHFFFAOYSA-N 1 0 381.476 2.662 50 0 GFAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1cccc(F)c1 ZINC000023127528 570912424 /nfs/dbraw/zinc/91/24/24/570912424.db2.gz DPOVHPDSEZWBCJ-UHFFFAOYSA-N 1 0 375.469 2.854 50 0 GFAARO C[C@@H](CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1)[NH+]1CCN(C)CC1 ZINC000534661200 570922014 /nfs/dbraw/zinc/92/20/14/570922014.db2.gz ZGFIKDVCBASRSV-KRWDZBQOSA-N 1 0 383.540 2.868 50 0 GFAARO Cc1cc(=O)c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)nn1-c1cccc(C(F)(F)F)c1 ZINC000237429499 570943780 /nfs/dbraw/zinc/94/37/80/570943780.db2.gz LPEAIBIQBNMDBX-BXUZGUMPSA-N 1 0 394.397 2.512 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]Cc1ccncc1)C2 ZINC000019227520 570964672 /nfs/dbraw/zinc/96/46/72/570964672.db2.gz VDIGIBZNNTYHLN-KRWDZBQOSA-N 1 0 393.491 2.810 50 0 GFAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000106574020 570965609 /nfs/dbraw/zinc/96/56/09/570965609.db2.gz GONRLJUQFHLLBM-KZNAEPCWSA-N 1 0 376.520 2.929 50 0 GFAARO COC(=O)c1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000019339717 570977235 /nfs/dbraw/zinc/97/72/35/570977235.db2.gz HUTXIKDFPYKCCC-QFIPXVFZSA-N 1 0 382.504 2.585 50 0 GFAARO O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000252506002 570977865 /nfs/dbraw/zinc/97/78/65/570977865.db2.gz VVNFUOXNKHCSDL-UHFFFAOYSA-N 1 0 387.499 2.670 50 0 GFAARO Cc1cccc(-c2nc(CN3CCC(C(=O)NCc4cccnc4)CC3)no2)c1 ZINC000033327679 570983831 /nfs/dbraw/zinc/98/38/31/570983831.db2.gz ZMSYBHMLZYULNS-UHFFFAOYSA-N 1 0 391.475 2.968 50 0 GFAARO CC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)[nH]n1 ZINC000091288770 571002188 /nfs/dbraw/zinc/00/21/88/571002188.db2.gz MKVQRRMDVBWHPU-RBUKOAKNSA-N 1 0 380.492 2.782 50 0 GFAARO Cc1c(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)cnn1C ZINC000091620666 571018637 /nfs/dbraw/zinc/01/86/37/571018637.db2.gz MJWIUYHAWCAWFR-UHFFFAOYSA-N 1 0 381.524 2.571 50 0 GFAARO CN1CCC[C@@H]1C[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091780301 571030316 /nfs/dbraw/zinc/03/03/16/571030316.db2.gz NCUBJEKBBWIOFE-QGZVFWFLSA-N 1 0 377.479 2.874 50 0 GFAARO CCn1c(C)ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1=O ZINC000092003316 571040473 /nfs/dbraw/zinc/04/04/73/571040473.db2.gz CKDOLWNYQXOYOO-WOJBJXKFSA-N 1 0 379.504 2.913 50 0 GFAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000092065338 571043503 /nfs/dbraw/zinc/04/35/03/571043503.db2.gz ASGKSRDMXLJKFT-UHFFFAOYSA-N 1 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2.752 50 0 GFAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000015861284 221348447 /nfs/dbraw/zinc/34/84/47/221348447.db2.gz BAPXTDOFXQCGCQ-CQSZACIVSA-N 1 0 394.566 2.824 50 0 GFAARO Cc1cc(C)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000017317417 221384060 /nfs/dbraw/zinc/38/40/60/221384060.db2.gz BKIFQLDAOHNQMB-UHFFFAOYSA-N 1 0 388.533 2.923 50 0 GFAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Br)c1O ZINC000018156214 221388487 /nfs/dbraw/zinc/38/84/87/221388487.db2.gz BGJJFKOKUTYQPH-AWEZNQCLSA-N 1 0 388.225 2.609 50 0 GFAARO Cc1noc(-c2ccc(N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)nc2)n1 ZINC000095512637 136180701 /nfs/dbraw/zinc/18/07/01/136180701.db2.gz PNLSTKZGDCOMQR-KRWDZBQOSA-N 1 0 381.484 2.582 50 0 GFAARO CC[C@@H](C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CC[NH+](CC)CC1 ZINC000096210536 136185337 /nfs/dbraw/zinc/18/53/37/136185337.db2.gz GEBYANQCFFHTHN-OAHLLOKOSA-N 1 0 385.487 2.953 50 0 GFAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000040087000 221903343 /nfs/dbraw/zinc/90/33/43/221903343.db2.gz PLBJJBJKPOKIOK-NRFANRHFSA-N 1 0 378.472 2.811 50 0 GFAARO CCOc1cc(C[NH2+]CCCCO)ccc1Oc1nnnn1-c1ccccc1 ZINC000040744191 221929978 /nfs/dbraw/zinc/92/99/78/221929978.db2.gz JMGMGEWHXQJFIC-UHFFFAOYSA-N 1 0 383.452 2.715 50 0 GFAARO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074126 221995878 /nfs/dbraw/zinc/99/58/78/221995878.db2.gz JCXIHQIJRQYMGN-UHFFFAOYSA-N 1 0 393.478 2.809 50 0 GFAARO CN1C2=C(C(=O)N(CCC[NH+](C)C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC1=O ZINC000057531504 222035656 /nfs/dbraw/zinc/03/56/56/222035656.db2.gz RGKCXZZODZCKJJ-INIZCTEOSA-N 1 0 397.306 2.738 50 0 GFAARO CCCCc1ccc(-n2cc(C[NH2+]C3CCN(S(C)(=O)=O)CC3)cn2)cc1 ZINC000055211607 222018064 /nfs/dbraw/zinc/01/80/64/222018064.db2.gz LXFRNLLTBCXVOL-UHFFFAOYSA-N 1 0 390.553 2.729 50 0 GFAARO COCC[NH+]1CCC(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(OC(C)C)cc2)CC1 ZINC000055386496 222020530 /nfs/dbraw/zinc/02/05/30/222020530.db2.gz UQGAOENYGUQGST-FQEVSTJZSA-N 1 0 378.513 2.890 50 0 GFAARO CN(Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1)Cc1ccncc1 ZINC000055393397 222021919 /nfs/dbraw/zinc/02/19/19/222021919.db2.gz OJOWZFKNFIDTOF-UHFFFAOYSA-N 1 0 376.508 2.836 50 0 GFAARO CC(C)Cc1ccc([C@H]([NH2+]CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000058069264 222038895 /nfs/dbraw/zinc/03/88/95/222038895.db2.gz GBFIFHNBGBWTHU-TZIWHRDSSA-N 1 0 394.581 2.817 50 0 GFAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000063159722 222066395 /nfs/dbraw/zinc/06/63/95/222066395.db2.gz IWULLXTUXQYQIA-UHFFFAOYSA-N 1 0 381.723 2.723 50 0 GFAARO CCn1c2c(C(=O)Nc3ccc(C(C)C)cc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966222 222090473 /nfs/dbraw/zinc/09/04/73/222090473.db2.gz DTPNZIZVHHIZFL-UHFFFAOYSA-N 1 0 379.464 2.537 50 0 GFAARO COc1cc(CNc2ncnc3sc4c(c32)CC[NH2+]C4)cc(OC)c1OC ZINC000065491467 222131028 /nfs/dbraw/zinc/13/10/28/222131028.db2.gz CUOSCWFNBFMXAR-UHFFFAOYSA-N 1 0 386.477 2.975 50 0 GFAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000065474618 222131188 /nfs/dbraw/zinc/13/11/88/222131188.db2.gz OJYBYHMFNIYULZ-HNNXBMFYSA-N 1 0 395.341 2.955 50 0 GFAARO C[NH+](C)CCn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000067258697 222141894 /nfs/dbraw/zinc/14/18/94/222141894.db2.gz DYYUSQVCVXXGCZ-UHFFFAOYSA-N 1 0 383.473 2.979 50 0 GFAARO Cc1cc(NCc2cccnc2N(C)CCc2ccccn2)nc(N(C)C)[nH+]1 ZINC000067642544 222152393 /nfs/dbraw/zinc/15/23/93/222152393.db2.gz JGCHZFBGTRMUPW-UHFFFAOYSA-N 1 0 377.496 2.932 50 0 GFAARO O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067723456 222156625 /nfs/dbraw/zinc/15/66/25/222156625.db2.gz BPTLCZSDHAFJFO-ZDUSSCGKSA-N 1 0 377.391 2.842 50 0 GFAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCC3CCCC3)C2=O)c1 ZINC000067946478 222169674 /nfs/dbraw/zinc/16/96/74/222169674.db2.gz GASWREOAAPDFMD-OAQYLSRUSA-N 1 0 378.488 2.858 50 0 GFAARO Cc1cc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cnc1C ZINC000067947937 222170066 /nfs/dbraw/zinc/17/00/66/222170066.db2.gz KPFJNAZCYIOHEY-QHCPKHFHSA-N 1 0 381.520 2.774 50 0 GFAARO CC(C)COc1cccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069932073 222174308 /nfs/dbraw/zinc/17/43/08/222174308.db2.gz PDANEMXGFZMIIE-FQEVSTJZSA-N 1 0 389.540 2.975 50 0 GFAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)on1 ZINC000071388541 222183355 /nfs/dbraw/zinc/18/33/55/222183355.db2.gz LOAQTZBRMKOBNL-FQEVSTJZSA-N 1 0 396.535 2.976 50 0 GFAARO COc1ccc(F)c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071738752 222187974 /nfs/dbraw/zinc/18/79/74/222187974.db2.gz UHKVMJHRIGLTNW-INIZCTEOSA-N 1 0 389.515 2.789 50 0 GFAARO CN(C(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O)C1CC[NH2+]CC1 ZINC000071774413 222196295 /nfs/dbraw/zinc/19/62/95/222196295.db2.gz AHTSDOAIEBDHHW-DEOSSOPVSA-N 1 0 391.515 2.744 50 0 GFAARO COc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071775579 222198151 /nfs/dbraw/zinc/19/81/51/222198151.db2.gz SORUCCAIKSHSGD-IBGZPJMESA-N 1 0 399.535 2.634 50 0 GFAARO O=C(c1cccnc1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156894 222211960 /nfs/dbraw/zinc/21/19/60/222211960.db2.gz SUCUKFMCKNCUJP-DUXKGJEZSA-N 1 0 377.444 2.513 50 0 GFAARO O=C(NCc1ccccn1)[C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CCN1 ZINC000072171650 222216461 /nfs/dbraw/zinc/21/64/61/222216461.db2.gz ANKWJVYIWBBKQR-QHCPKHFHSA-N 1 0 386.499 2.839 50 0 GFAARO Cc1nccn1CCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072412123 222256415 /nfs/dbraw/zinc/25/64/15/222256415.db2.gz AJSWBUSWCLMLQZ-YMPZKCBVSA-N 1 0 378.520 2.979 50 0 GFAARO CCN1CC2(CC[NH+](Cc3cc4c(cc3OC)OCCCO4)CC2)OC1=O ZINC000072419054 222256518 /nfs/dbraw/zinc/25/65/18/222256518.db2.gz ADGPGAPXXREAQC-UHFFFAOYSA-N 1 0 376.453 2.663 50 0 GFAARO OCC[C@H]1CN(c2noc(-c3ccccc3)n2)CC[N@@H+]1CCc1ccccc1 ZINC000072438754 222260631 /nfs/dbraw/zinc/26/06/31/222260631.db2.gz IIVDXYGLLGMMQZ-FQEVSTJZSA-N 1 0 378.476 2.852 50 0 GFAARO Cc1ncccc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095500973 222334660 /nfs/dbraw/zinc/33/46/60/222334660.db2.gz KKTGNICXPXYIJV-VLCRHTCISA-N 1 0 391.471 2.821 50 0 GFAARO O=c1cc(CC[NH2+]C2CCN(c3nc4ccc(Cl)cc4s3)CC2)nc[nH]1 ZINC000095503056 222336486 /nfs/dbraw/zinc/33/64/86/222336486.db2.gz DGPZYMMCLBDACV-UHFFFAOYSA-N 1 0 389.912 2.834 50 0 GFAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095508805 222341074 /nfs/dbraw/zinc/34/10/74/222341074.db2.gz LKTKCOGCWNASIQ-CQSZACIVSA-N 1 0 377.439 2.528 50 0 GFAARO CCN1CC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)OC1=O ZINC000077287659 222277352 /nfs/dbraw/zinc/27/73/52/222277352.db2.gz LTIUNMAKBBYQPX-LJQANCHMSA-N 1 0 385.508 2.874 50 0 GFAARO Cc1ccc(OC2(C(=O)NCc3cc(-c4cccnc4)no3)CC[NH2+]CC2)cc1 ZINC000077354024 222278714 /nfs/dbraw/zinc/27/87/14/222278714.db2.gz USINCQOZWTZGMA-UHFFFAOYSA-N 1 0 392.459 2.862 50 0 GFAARO CC(C)C[N@H+](C)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000077344009 222280054 /nfs/dbraw/zinc/28/00/54/222280054.db2.gz VJQZEBILUPXMSH-UHFFFAOYSA-N 1 0 378.476 2.941 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120211 222310207 /nfs/dbraw/zinc/31/02/07/222310207.db2.gz BPLZQLQZRKWEGL-SFHVURJKSA-N 1 0 391.581 2.592 50 0 GFAARO CN(C)C(=O)CN(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353563 /nfs/dbraw/zinc/35/35/63/222353563.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 1 0 385.474 2.980 50 0 GFAARO COc1ccccc1-n1nc(CCc2ccccc2)nc1C[C@H]1C[NH2+]CCO1 ZINC000096152253 222390717 /nfs/dbraw/zinc/39/07/17/222390717.db2.gz FVXHRCPODLETJA-SFHVURJKSA-N 1 0 378.476 2.592 50 0 GFAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnnc1 ZINC000096150446 222390866 /nfs/dbraw/zinc/39/08/66/222390866.db2.gz IUCWLXIWRRHDPQ-LJQANCHMSA-N 1 0 382.508 2.902 50 0 GFAARO Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000096153652 222391180 /nfs/dbraw/zinc/39/11/80/222391180.db2.gz ICQZTADTZIYMKR-UHFFFAOYSA-N 1 0 383.500 2.668 50 0 GFAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000096162365 222393382 /nfs/dbraw/zinc/39/33/82/222393382.db2.gz NXPZHCDUCUYUKJ-HXUWFJFHSA-N 1 0 383.536 2.727 50 0 GFAARO CCC[NH+]1CCC2(CCN(C(=O)c3ccc(OC)cc3F)C[C@@H]2CO)CC1 ZINC000097729631 222447976 /nfs/dbraw/zinc/44/79/76/222447976.db2.gz CAYVPDLEFMLPQT-MRXNPFEDSA-N 1 0 378.488 2.781 50 0 GFAARO O=C(CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413749 /nfs/dbraw/zinc/41/37/49/534413749.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 1 0 377.479 2.921 50 0 GFAARO COc1ccccc1N1C[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O ZINC000032730251 524579653 /nfs/dbraw/zinc/57/96/53/524579653.db2.gz LEXRYNGFDKXHDK-LPHOPBHVSA-N 1 0 399.466 2.606 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023588 535537446 /nfs/dbraw/zinc/53/74/46/535537446.db2.gz DODUGVDKRZOJQI-GOSISDBHSA-N 1 0 399.514 2.957 50 0 GFAARO CC[NH+]1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441801 551115646 /nfs/dbraw/zinc/11/56/46/551115646.db2.gz UOIPUVKKBLCBKB-ZWKOTPCHSA-N 1 0 385.961 2.567 50 0 GFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)C1 ZINC000179015903 552182397 /nfs/dbraw/zinc/18/23/97/552182397.db2.gz VKQWVTRSMTUWKH-AWEZNQCLSA-N 1 0 391.313 2.933 50 0 GFAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000237206509 553075991 /nfs/dbraw/zinc/07/59/91/553075991.db2.gz VNQOAKFADKBAGN-JTQLQIEISA-N 1 0 381.723 2.723 50 0 GFAARO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)C1 ZINC000299739023 563390788 /nfs/dbraw/zinc/39/07/88/563390788.db2.gz JPWKOLYKDUXVGA-GHMZBOCLSA-N 1 0 375.694 2.938 50 0 GFAARO COCCN1C[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)CC1=O ZINC000299782829 563390797 /nfs/dbraw/zinc/39/07/97/563390797.db2.gz GKYFMQCRYDMWDT-CQSZACIVSA-N 1 0 386.323 2.610 50 0 GFAARO COc1cc(CN2CC[N@H+](CCc3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019743295 570212741 /nfs/dbraw/zinc/21/27/41/570212741.db2.gz ANSQCCOWMWJIPI-NRFANRHFSA-N 1 0 384.520 2.815 50 0 GFAARO CCOc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019787125 570218502 /nfs/dbraw/zinc/21/85/02/570218502.db2.gz MCFOOHKBCRHZNV-QFIPXVFZSA-N 1 0 389.584 2.827 50 0 GFAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000012809541 570221855 /nfs/dbraw/zinc/22/18/55/570221855.db2.gz VCFNHZKZVPPYCA-HNAYVOBHSA-N 1 0 375.538 2.970 50 0 GFAARO COc1ccc(Br)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000048310071 570232666 /nfs/dbraw/zinc/23/26/66/570232666.db2.gz CVZYRLOAWMHECE-UHFFFAOYSA-N 1 0 397.313 2.642 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000048340766 570239083 /nfs/dbraw/zinc/23/90/83/570239083.db2.gz IYJUJXBTYQUYRS-JNCPLXCYSA-N 1 0 383.536 2.738 50 0 GFAARO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000048343254 570239965 /nfs/dbraw/zinc/23/99/65/570239965.db2.gz AEQBQXFFQCZJLG-HXUWFJFHSA-N 1 0 387.524 2.948 50 0 GFAARO Cc1c(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000048366154 570245817 /nfs/dbraw/zinc/24/58/17/570245817.db2.gz SAIDEEPOGSAUDA-IBGZPJMESA-N 1 0 383.521 2.907 50 0 GFAARO CC[C@H]1CN(C(=O)c2ccc(N(CC)Cc3cnn(C)c3)nc2)CC[N@@H+]1C(C)C ZINC000020203648 570247576 /nfs/dbraw/zinc/24/75/76/570247576.db2.gz HNEZDHVOFIFHMZ-FQEVSTJZSA-N 1 0 398.555 2.786 50 0 GFAARO CC1(C)CC(CC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000097797580 570256280 /nfs/dbraw/zinc/25/62/80/570256280.db2.gz BTEICSVJMPWXHZ-GOSISDBHSA-N 1 0 375.488 2.772 50 0 GFAARO CC(=O)Nc1ccc(F)c(NC(=O)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000097813756 570256719 /nfs/dbraw/zinc/25/67/19/570256719.db2.gz JHGQKNIWOSYEDK-UHFFFAOYSA-N 1 0 380.489 2.829 50 0 GFAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1cccc(-c2ccc(-c3ccno3)cc2)c1 ZINC000584903262 570270378 /nfs/dbraw/zinc/27/03/78/570270378.db2.gz AFWPUSXDOUPWSK-JOCHJYFZSA-N 1 0 377.444 2.853 50 0 GFAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(C)nc3)CC2)[C@H]1O ZINC000020905930 570283642 /nfs/dbraw/zinc/28/36/42/570283642.db2.gz INVLKCITSXZWFL-RTWAWAEBSA-N 1 0 379.504 2.931 50 0 GFAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022794395 570328206 /nfs/dbraw/zinc/32/82/06/570328206.db2.gz ZRLNCRBQGNJIRM-WOJBJXKFSA-N 1 0 386.492 2.530 50 0 GFAARO O=C(NCc1ccco1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035349331 570343523 /nfs/dbraw/zinc/34/35/23/570343523.db2.gz JGWQRJGLHWYDOH-BPZDKFOGSA-N 1 0 395.503 2.533 50 0 GFAARO CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000024067622 570378220 /nfs/dbraw/zinc/37/82/20/570378220.db2.gz YUHPNYKTCHXCKX-QGZVFWFLSA-N 1 0 389.521 2.509 50 0 GFAARO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000090608986 570384607 /nfs/dbraw/zinc/38/46/07/570384607.db2.gz AOSBCRAPJXCCOV-JTQLQIEISA-N 1 0 399.401 2.568 50 0 GFAARO CC(C)n1ncc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)cnc21 ZINC000069922907 570392204 /nfs/dbraw/zinc/39/22/04/570392204.db2.gz XETNWMFXHOFFCA-CRAIPNDOSA-N 1 0 386.500 2.635 50 0 GFAARO CC1CC[NH+](CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1 ZINC000005067708 570410598 /nfs/dbraw/zinc/41/05/98/570410598.db2.gz OLUXFQCBVJFBSY-UHFFFAOYSA-N 1 0 399.535 2.936 50 0 GFAARO CCn1c2ccccc2n(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1=O ZINC000025422061 570413774 /nfs/dbraw/zinc/41/37/74/570413774.db2.gz JDLKNMCIIMRSJC-HXUWFJFHSA-N 1 0 380.492 2.632 50 0 GFAARO CCOc1ccccc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000025515235 570415356 /nfs/dbraw/zinc/41/53/56/570415356.db2.gz VXJJPKRBBMPKFF-QGZVFWFLSA-N 1 0 376.522 2.847 50 0 GFAARO CC1CCN(C(=O)C2CC[NH+](CC(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000052157630 570415739 /nfs/dbraw/zinc/41/57/39/570415739.db2.gz DDGOIUIANCVGGF-UHFFFAOYSA-N 1 0 383.536 2.542 50 0 GFAARO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OC ZINC000004993780 570422425 /nfs/dbraw/zinc/42/24/25/570422425.db2.gz IDMWDCQKQUPDJJ-UHFFFAOYSA-N 1 0 385.493 2.952 50 0 GFAARO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccc(C)cc1 ZINC000004998063 570422707 /nfs/dbraw/zinc/42/27/07/570422707.db2.gz DUXABYWEARCSOE-UHFFFAOYSA-N 1 0 399.520 2.988 50 0 GFAARO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCC(C)CC2)NC(C)=O)cc1 ZINC000028070310 570450512 /nfs/dbraw/zinc/45/05/12/570450512.db2.gz JJUHNJFJGGIUDD-FQEVSTJZSA-N 1 0 375.513 2.501 50 0 GFAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)CC1 ZINC000029798807 570480166 /nfs/dbraw/zinc/48/01/66/570480166.db2.gz VXEGICBIKXNRTC-OAHLLOKOSA-N 1 0 386.521 2.647 50 0 GFAARO O=C(COc1ccc2c(c1)CCC(=O)N2)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898946 570482358 /nfs/dbraw/zinc/48/23/58/570482358.db2.gz QCHXMSNKWSKSMN-LJQANCHMSA-N 1 0 397.475 2.887 50 0 GFAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000033318538 570524851 /nfs/dbraw/zinc/52/48/51/570524851.db2.gz QPZUDVKTLZANJE-UHFFFAOYSA-N 1 0 384.459 2.878 50 0 GFAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)NC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000032960871 570531477 /nfs/dbraw/zinc/53/14/77/570531477.db2.gz ZFBHNKADFANSTR-DNVCBOLYSA-N 1 0 384.480 2.624 50 0 GFAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036095700 570534766 /nfs/dbraw/zinc/53/47/66/570534766.db2.gz WIWJJKIUBDSHIF-LJQANCHMSA-N 1 0 389.492 2.901 50 0 GFAARO COc1cc(OC)c(OC)cc1CN1CC[NH+]([C@H]2CCCC[C@@H]2OC)CC1 ZINC000020228038 570536902 /nfs/dbraw/zinc/53/69/02/570536902.db2.gz DDSPTLXNWPWAQQ-ROUUACIJSA-N 1 0 378.513 2.788 50 0 GFAARO C[NH+](C)CCNC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000005073629 570541103 /nfs/dbraw/zinc/54/11/03/570541103.db2.gz ACHXVCADWUHXDY-ZTLYHTANSA-N 1 0 383.536 2.679 50 0 GFAARO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)cc3)n2)s1 ZINC000009935239 570562595 /nfs/dbraw/zinc/56/25/95/570562595.db2.gz GFXWGZGORTWACX-UHFFFAOYSA-N 1 0 387.494 2.989 50 0 GFAARO Cc1nc(NC(=[NH2+])Nc2ccc3c(c2)OCCO3)[nH]c(=O)c1Cc1ccccc1 ZINC000009938523 570563113 /nfs/dbraw/zinc/56/31/13/570563113.db2.gz CNFATLBVCCIBIH-UHFFFAOYSA-N 1 0 391.431 2.899 50 0 GFAARO CC(C)(C)C1=CC[N@H+](CCNC(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000225401997 570570141 /nfs/dbraw/zinc/57/01/41/570570141.db2.gz HVMBVPORLHUPHS-UHFFFAOYSA-N 1 0 384.476 2.966 50 0 GFAARO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000006787000 570592432 /nfs/dbraw/zinc/59/24/32/570592432.db2.gz GTZAUIWNHZSWAT-IBGZPJMESA-N 1 0 387.480 2.789 50 0 GFAARO CCCOc1ccc(Br)cc1C[NH2+]CCSc1nnnn1C ZINC000040721843 570606372 /nfs/dbraw/zinc/60/63/72/570606372.db2.gz JXMYYQVDQIEZHA-UHFFFAOYSA-N 1 0 386.319 2.643 50 0 GFAARO CCCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1Br ZINC000040721835 570606380 /nfs/dbraw/zinc/60/63/80/570606380.db2.gz HEMURVGRGOOJKS-UHFFFAOYSA-N 1 0 386.319 2.643 50 0 GFAARO CC(C)Oc1ccc(C[NH2+]CCSc2nnnn2C)cc1Br ZINC000040721886 570606421 /nfs/dbraw/zinc/60/64/21/570606421.db2.gz VOXXTOZGTUPTFK-UHFFFAOYSA-N 1 0 386.319 2.642 50 0 GFAARO CCc1nc(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036316581 570615006 /nfs/dbraw/zinc/61/50/06/570615006.db2.gz KXNCOZGPFDMXOP-UHFFFAOYSA-N 1 0 386.515 2.970 50 0 GFAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018770 570631052 /nfs/dbraw/zinc/63/10/52/570631052.db2.gz BVBGNZSFYDQYPV-QGZVFWFLSA-N 1 0 394.523 2.557 50 0 GFAARO Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000045966666 570649966 /nfs/dbraw/zinc/64/99/66/570649966.db2.gz GMLOVSAAEMIVPA-UHFFFAOYSA-N 1 0 379.504 2.502 50 0 GFAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O ZINC000036390642 570672563 /nfs/dbraw/zinc/67/25/63/570672563.db2.gz DPPMDLDKPARMNR-KRWDZBQOSA-N 1 0 390.487 2.999 50 0 GFAARO CCOC(=O)C1CC[NH+](C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000012471970 570673391 /nfs/dbraw/zinc/67/33/91/570673391.db2.gz PSYRLNZYJCEGGL-UHFFFAOYSA-N 1 0 398.507 2.976 50 0 GFAARO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1)[C@@]1(C)CCCO1 ZINC000239636957 570684084 /nfs/dbraw/zinc/68/40/84/570684084.db2.gz BHUSKJQLELFQKN-ANEJOOLBSA-N 1 0 396.535 2.998 50 0 GFAARO CC(=O)Nc1ccc(NC(=O)CN(CCO)Cc2cccc(Cl)c2)cc1 ZINC000241435135 570686375 /nfs/dbraw/zinc/68/63/75/570686375.db2.gz NKXASSDRPYOYCT-UHFFFAOYSA-N 1 0 375.856 2.731 50 0 GFAARO Cc1ccc(N2CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C3CC3)CC2)cc1C ZINC000244719000 570695153 /nfs/dbraw/zinc/69/51/53/570695153.db2.gz LUULSEAYKRGQCZ-HDICACEKSA-N 1 0 380.540 2.757 50 0 GFAARO Cc1ccc(N2C[C@H](NC(=O)NCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004373170 570719432 /nfs/dbraw/zinc/71/94/32/570719432.db2.gz GCNSUMLLYYQHPH-LJQANCHMSA-N 1 0 380.492 2.532 50 0 GFAARO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(Br)cc1 ZINC000004324504 570727930 /nfs/dbraw/zinc/72/79/30/570727930.db2.gz HDLFTWOIXXIRDH-CQSZACIVSA-N 1 0 380.238 2.707 50 0 GFAARO Cc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257309 570755751 /nfs/dbraw/zinc/75/57/51/570755751.db2.gz FYTCKPRJIHWWIY-UHFFFAOYSA-N 1 0 395.551 2.725 50 0 GFAARO Fc1ccc(Cn2nc(C[NH2+]CCN3CCOCC3)c(-c3ccccc3)n2)cc1 ZINC000261492154 570789564 /nfs/dbraw/zinc/78/95/64/570789564.db2.gz RVHOLYJCGFRYOH-UHFFFAOYSA-N 1 0 395.482 2.554 50 0 GFAARO O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CCN(C2CCC2)CC1 ZINC000238946272 570815442 /nfs/dbraw/zinc/81/54/42/570815442.db2.gz WLRSSBYJWIBPHO-UHFFFAOYSA-N 1 0 379.888 2.603 50 0 GFAARO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101277897 570818333 /nfs/dbraw/zinc/81/83/33/570818333.db2.gz VWQFFCVTAAFTNP-OALUTQOASA-N 1 0 375.472 2.665 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000004691031 570840052 /nfs/dbraw/zinc/84/00/52/570840052.db2.gz KEEPPHLZPUMOJX-MRXNPFEDSA-N 1 0 393.528 2.907 50 0 GFAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCOC)C(=O)N2CCc1ccccc1 ZINC000014534356 570848193 /nfs/dbraw/zinc/84/81/93/570848193.db2.gz HZRYDFZEDRKTIF-SFHVURJKSA-N 1 0 387.524 2.773 50 0 GFAARO CCn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)c(C)n1 ZINC000014536062 570848729 /nfs/dbraw/zinc/84/87/29/570848729.db2.gz HICLATXBMZMOQX-UHFFFAOYSA-N 1 0 395.507 2.640 50 0 GFAARO Cc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1NC(=O)c1ccco1 ZINC000170598021 570856198 /nfs/dbraw/zinc/85/61/98/570856198.db2.gz FDBLHGFTIVLTRF-QGZVFWFLSA-N 1 0 398.507 2.596 50 0 GFAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)CC2=O)cc1 ZINC000004711001 570857460 /nfs/dbraw/zinc/85/74/60/570857460.db2.gz YMHXVXJDEKHWCK-OAQYLSRUSA-N 1 0 385.552 2.624 50 0 GFAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]CCOC(C)C)C2 ZINC000014731446 570857451 /nfs/dbraw/zinc/85/74/51/570857451.db2.gz CUZMNPONZODXDN-INIZCTEOSA-N 1 0 388.512 2.640 50 0 GFAARO Cc1ccc(CS(=O)(=O)CCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000004711904 570858035 /nfs/dbraw/zinc/85/80/35/570858035.db2.gz ZKHMFZPGIZCLKD-UHFFFAOYSA-N 1 0 380.554 2.682 50 0 GFAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014742115 570858468 /nfs/dbraw/zinc/85/84/68/570858468.db2.gz FRGBXFPJPAQBAO-UHFFFAOYSA-N 1 0 378.476 2.553 50 0 GFAARO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)CCC[NH+]2CCCC2)cc1 ZINC000170607650 570864751 /nfs/dbraw/zinc/86/47/51/570864751.db2.gz IXJCPTNWUZTBPS-KRWDZBQOSA-N 1 0 395.569 2.711 50 0 GFAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000170609559 570866165 /nfs/dbraw/zinc/86/61/65/570866165.db2.gz PXQNPBGOKLNHQK-KRWDZBQOSA-N 1 0 378.480 2.968 50 0 GFAARO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3cccnc3)on2)c1 ZINC000170611651 570867385 /nfs/dbraw/zinc/86/73/85/570867385.db2.gz JEJSYNZWFZFAEG-UHFFFAOYSA-N 1 0 380.448 2.949 50 0 GFAARO CC(C)[C@@H]1CN(C(=O)CCC(=O)N(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072144719 570871082 /nfs/dbraw/zinc/87/10/82/570871082.db2.gz LAHVPDOJEWDUML-IBGZPJMESA-N 1 0 377.504 2.753 50 0 GFAARO COCC1(C(=O)N2C[C@@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000072148229 570872630 /nfs/dbraw/zinc/87/26/30/570872630.db2.gz VRYRTSLIEBDQEH-CEWLAPEOSA-N 1 0 384.520 2.901 50 0 GFAARO Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(Cl)cc3OCCC[NH3+])C2)n1 ZINC000299768055 570893578 /nfs/dbraw/zinc/89/35/78/570893578.db2.gz IGCVIQFXHPQFKD-MRXNPFEDSA-N 1 0 376.888 2.968 50 0 GFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000249694253 570896219 /nfs/dbraw/zinc/89/62/19/570896219.db2.gz ORKFZFIDOVTHAI-LSDHHAIUSA-N 1 0 384.446 2.917 50 0 GFAARO CCn1nc(C)c(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)c1C ZINC000299796454 570897033 /nfs/dbraw/zinc/89/70/33/570897033.db2.gz OATRMDNBZXDMOU-PMACEKPBSA-N 1 0 382.508 2.780 50 0 GFAARO NC(=O)Cc1ccc(-c2cccc(C(=O)N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000534579674 570902551 /nfs/dbraw/zinc/90/25/51/570902551.db2.gz XISRQAFQFPLOEL-UHFFFAOYSA-N 1 0 377.488 2.549 50 0 GFAARO Cc1[nH+]c(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c2ccccn12 ZINC000089708974 570910168 /nfs/dbraw/zinc/91/01/68/570910168.db2.gz CSSMYHOVHZRUDS-KRWDZBQOSA-N 1 0 394.450 2.950 50 0 GFAARO CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)nc1 ZINC000534632971 570910941 /nfs/dbraw/zinc/91/09/41/570910941.db2.gz CNBJTVONUQLUJR-LJQANCHMSA-N 1 0 380.492 2.617 50 0 GFAARO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000534651028 570913733 /nfs/dbraw/zinc/91/37/33/570913733.db2.gz WUZYWADYKNCEPV-INIZCTEOSA-N 1 0 395.931 2.597 50 0 GFAARO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000043746954 570914039 /nfs/dbraw/zinc/91/40/39/570914039.db2.gz QTHSGOGNRLVJEF-LPHOPBHVSA-N 1 0 384.476 2.861 50 0 GFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)C1 ZINC000032931451 570944883 /nfs/dbraw/zinc/94/48/83/570944883.db2.gz HQXIQWLZENMHOI-QGZVFWFLSA-N 1 0 390.487 2.847 50 0 GFAARO O[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC[C@H]1N1CCOCC1 ZINC000019221382 570963255 /nfs/dbraw/zinc/96/32/55/570963255.db2.gz GSOZRCXXGVQTHG-RTBURBONSA-N 1 0 376.884 2.867 50 0 GFAARO O=C(Nc1ccc(F)cc1F)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000107147284 570971441 /nfs/dbraw/zinc/97/14/41/570971441.db2.gz CNQXGNJBYGZNMX-KXBFYZLASA-N 1 0 375.419 2.969 50 0 GFAARO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000252527420 570988010 /nfs/dbraw/zinc/98/80/10/570988010.db2.gz CNMHDVPVQAWWHS-MRXNPFEDSA-N 1 0 379.464 2.631 50 0 GFAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C1([NH3+])CC1 ZINC000091586332 571015445 /nfs/dbraw/zinc/01/54/45/571015445.db2.gz SLNDVLLWINXMNE-KRWDZBQOSA-N 1 0 379.508 2.734 50 0 GFAARO Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c2ccccn12 ZINC000091621455 571018967 /nfs/dbraw/zinc/01/89/67/571018967.db2.gz OAMYSEURLVULJW-IEBWSBKVSA-N 1 0 375.476 2.774 50 0 GFAARO O=C(c1ccncc1)N1CCC([N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091643961 571020664 /nfs/dbraw/zinc/02/06/64/571020664.db2.gz RGEFWEGUBQDHPC-IBGZPJMESA-N 1 0 379.504 2.743 50 0 GFAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091656114 571023027 /nfs/dbraw/zinc/02/30/27/571023027.db2.gz KMYCZHIYPKEGJI-QFIPXVFZSA-N 1 0 381.524 2.837 50 0 GFAARO Cc1ccccc1[C@@H](CNC(=O)c1cnc(-c2ccccn2)nc1O)[NH+](C)C ZINC000091746044 571029032 /nfs/dbraw/zinc/02/90/32/571029032.db2.gz NVSXLRYGJFULBO-GOSISDBHSA-N 1 0 377.448 2.585 50 0 GFAARO CC[C@@H]1CN(C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)CC[N@@H+]1C(C)C ZINC000091876749 571034709 /nfs/dbraw/zinc/03/47/09/571034709.db2.gz VOOAHTBEJBKBDT-QGZVFWFLSA-N 1 0 376.497 2.780 50 0 GFAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000091985968 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NHAZFCGQPMZTQZ-UXHICEINSA-N 1 0 399.535 2.592 50 0 GFAARO Cc1nc(CC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095366869 571058944 /nfs/dbraw/zinc/05/89/44/571058944.db2.gz UJLYLBLRRIGMLJ-CEWLAPEOSA-N 1 0 383.517 2.788 50 0 GFAARO Cc1cccc(Cl)c1S(=O)(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000585094300 655511962 /nfs/dbraw/zinc/51/19/62/655511962.db2.gz GRNUDYXQBHDIGF-HNNXBMFYSA-N 1 0 386.945 2.912 50 0 GFAARO Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035876479 230923512 /nfs/dbraw/zinc/92/35/12/230923512.db2.gz UEOPCXPDEJNEPA-OAQYLSRUSA-N 1 0 377.488 2.887 50 0 GFAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000426398981 231214638 /nfs/dbraw/zinc/21/46/38/231214638.db2.gz FGOMKUNAVIRQGU-HXUWFJFHSA-N 1 0 392.565 2.911 50 0 GFAARO COc1ccc(OCCC[NH3+])c(C(=O)N(C)Cc2[nH]nc3c2CCCCC3)c1 ZINC000426533782 231237054 /nfs/dbraw/zinc/23/70/54/231237054.db2.gz KYTYHXYUCWFRBL-UHFFFAOYSA-N 1 0 386.496 2.687 50 0 GFAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000426701694 231254689 /nfs/dbraw/zinc/25/46/89/231254689.db2.gz UJGREKQDLYACEC-GOSISDBHSA-N 1 0 379.464 2.695 50 0 GFAARO CN(CCCc1nccn1C)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426399272 529897496 /nfs/dbraw/zinc/89/74/96/529897496.db2.gz SIQOJBNLKINBHD-UHFFFAOYSA-N 1 0 383.540 2.874 50 0 GFAARO Cc1cc(COc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2Br)no1 ZINC000299739457 222782817 /nfs/dbraw/zinc/78/28/17/222782817.db2.gz OPWSRWSATKYCKX-GFCCVEGCSA-N 1 0 394.269 2.745 50 0 GFAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH2+]CC2)N1Cc1ccccc1 ZINC000299758964 222784376 /nfs/dbraw/zinc/78/43/76/222784376.db2.gz MKZQRCCLKPHEFP-UHFFFAOYSA-N 1 0 378.476 2.601 50 0 GFAARO CC(C)[NH2+][C@H]1C[C@@H](C(=O)NCc2cccnc2)N(Cc2cccc(Cl)c2)C1 ZINC000299802389 222793592 /nfs/dbraw/zinc/79/35/92/222793592.db2.gz ZCDHVEHTORHKQA-PMACEKPBSA-N 1 0 386.927 2.992 50 0 GFAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cnc2ccccc2c1=O ZINC000253403556 212136306 /nfs/dbraw/zinc/13/63/06/212136306.db2.gz HGHIKYSUAQJXSW-FXAWDEMLSA-N 1 0 382.508 2.510 50 0 GFAARO O=C(CN1c2ccccc2OCCC1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012548 221023361 /nfs/dbraw/zinc/02/33/61/221023361.db2.gz CWSKSEYOMIUANY-UHFFFAOYSA-N 1 0 393.487 2.714 50 0 GFAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000008312662 221035556 /nfs/dbraw/zinc/03/55/56/221035556.db2.gz RFLRKIXUFQECRF-KGLIPLIRSA-N 1 0 395.550 2.985 50 0 GFAARO O=C(Cn1c(=O)cnc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008324877 221037038 /nfs/dbraw/zinc/03/70/38/221037038.db2.gz QXZHXTHCLSORTM-UHFFFAOYSA-N 1 0 382.508 2.702 50 0 GFAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)no1 ZINC000008892963 221063000 /nfs/dbraw/zinc/06/30/00/221063000.db2.gz BYECMMFYYVEDBO-HNNXBMFYSA-N 1 0 376.482 2.717 50 0 GFAARO C[C@@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccc(F)cc1 ZINC000008489980 221042036 /nfs/dbraw/zinc/04/20/36/221042036.db2.gz AWVSEHWUXPRPKR-BEFAXECRSA-N 1 0 396.528 2.825 50 0 GFAARO C[NH+]1CCN(c2nn3c(nnc3C(F)(F)C(F)(F)F)c3ccccc32)CC1 ZINC000010034942 221096888 /nfs/dbraw/zinc/09/68/88/221096888.db2.gz JEOOQVOZKMNTCD-UHFFFAOYSA-N 1 0 386.328 2.683 50 0 GFAARO Cc1cc2nc(CNC(=O)[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)[nH]c2cc1C ZINC000011814151 221126129 /nfs/dbraw/zinc/12/61/29/221126129.db2.gz YCFGAXXCJIMLQF-KRWDZBQOSA-N 1 0 383.540 2.602 50 0 GFAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2CCNC(C)=O)c(OC)c1 ZINC000011664812 221120473 /nfs/dbraw/zinc/12/04/73/221120473.db2.gz WUAYRCCYALLVTC-QGZVFWFLSA-N 1 0 386.496 2.975 50 0 GFAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccn(C)n3)nc21 ZINC000011695520 221121133 /nfs/dbraw/zinc/12/11/33/221121133.db2.gz WKJXDHGDPSTEPA-UHFFFAOYSA-N 1 0 393.900 2.900 50 0 GFAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CCCSC)CC1 ZINC000012050276 221144584 /nfs/dbraw/zinc/14/45/84/221144584.db2.gz UOLBDNQMPYITKH-UHFFFAOYSA-N 1 0 396.553 2.668 50 0 GFAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC(OCc2ccccc2)CC1 ZINC000012299270 221175516 /nfs/dbraw/zinc/17/55/16/221175516.db2.gz OXPQIXUXZBODSH-UHFFFAOYSA-N 1 0 397.523 2.585 50 0 GFAARO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1C ZINC000012330430 221182200 /nfs/dbraw/zinc/18/22/00/221182200.db2.gz PHDNFCOHQQIUEU-GOSISDBHSA-N 1 0 383.496 2.668 50 0 GFAARO CC(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCOCC4)nn3)C2)cc1 ZINC000012326034 221182628 /nfs/dbraw/zinc/18/26/28/221182628.db2.gz CXLSRCORCKDVBN-FQEVSTJZSA-N 1 0 397.523 2.711 50 0 GFAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012436299 221192729 /nfs/dbraw/zinc/19/27/29/221192729.db2.gz VNODPEFGVDAFHJ-HXUWFJFHSA-N 1 0 395.503 2.722 50 0 GFAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012902669 221243566 /nfs/dbraw/zinc/24/35/66/221243566.db2.gz DYEHXHHMFKVJLY-MRXNPFEDSA-N 1 0 381.476 2.748 50 0 GFAARO COc1cccc(C[N@H+](C)CCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000012911217 221244960 /nfs/dbraw/zinc/24/49/60/221244960.db2.gz BNJAAULOCFGQJH-UHFFFAOYSA-N 1 0 399.447 2.637 50 0 GFAARO COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000013303386 221264728 /nfs/dbraw/zinc/26/47/28/221264728.db2.gz FXXOLWVBSYRXJX-CAPFRKAQSA-N 1 0 381.476 2.534 50 0 GFAARO CC(C)n1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2c1=O ZINC000014171777 221302533 /nfs/dbraw/zinc/30/25/33/221302533.db2.gz BWUKYEQKHQSGMY-SFHVURJKSA-N 1 0 390.487 2.982 50 0 GFAARO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014978888 221322873 /nfs/dbraw/zinc/32/28/73/221322873.db2.gz BUOVIOTZEPYDPC-SFHVURJKSA-N 1 0 383.536 2.899 50 0 GFAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014752815 221316133 /nfs/dbraw/zinc/31/61/33/221316133.db2.gz WILRWBHHKOLEJZ-GOSISDBHSA-N 1 0 396.535 2.837 50 0 GFAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000014746219 221316275 /nfs/dbraw/zinc/31/62/75/221316275.db2.gz QLHHACWCQUWKPO-GOSISDBHSA-N 1 0 393.466 2.531 50 0 GFAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CC(C)(C)CO)CC2 ZINC000014751712 221316288 /nfs/dbraw/zinc/31/62/88/221316288.db2.gz RVXXJWYFEBMVJP-QGZVFWFLSA-N 1 0 390.572 2.631 50 0 GFAARO CC(C)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3sc4ccccc4c3Cl)CN2C1=O ZINC000014744693 221316337 /nfs/dbraw/zinc/31/63/37/221316337.db2.gz ZGTXIKLSKJBLHG-PLQHRBFRSA-N 1 0 391.924 2.768 50 0 GFAARO COc1cccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1 ZINC000014753420 221316342 /nfs/dbraw/zinc/31/63/42/221316342.db2.gz LWXMWLBLUDXCOW-SFHVURJKSA-N 1 0 396.535 2.744 50 0 GFAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CCCc1ccncc1)C2 ZINC000014743864 221316500 /nfs/dbraw/zinc/31/65/00/221316500.db2.gz HKXFFDQTNCXLFD-SFHVURJKSA-N 1 0 383.540 2.716 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccn1)C2 ZINC000014755542 221317697 /nfs/dbraw/zinc/31/76/97/221317697.db2.gz ZZLOACGJSDSPKO-LJQANCHMSA-N 1 0 395.551 2.860 50 0 GFAARO CCCn1nc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c2ccccc2c1=O ZINC000015536748 221336527 /nfs/dbraw/zinc/33/65/27/221336527.db2.gz FJJXBNJRLRJORX-MRXNPFEDSA-N 1 0 384.505 2.901 50 0 GFAARO Cn1c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc2ccccc21 ZINC000015077793 221331498 /nfs/dbraw/zinc/33/14/98/221331498.db2.gz LGPXABUTNNOYMZ-KRWDZBQOSA-N 1 0 395.551 2.528 50 0 GFAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1 ZINC000015779438 221343995 /nfs/dbraw/zinc/34/39/95/221343995.db2.gz FNQFXPJGJCKDGK-UHFFFAOYSA-N 1 0 389.906 2.969 50 0 GFAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000015861279 221348962 /nfs/dbraw/zinc/34/89/62/221348962.db2.gz JXQGXANAGKZKGV-UHFFFAOYSA-N 1 0 394.566 2.824 50 0 GFAARO O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)cc1 ZINC000017178442 221380670 /nfs/dbraw/zinc/38/06/70/221380670.db2.gz XGQWFHLGMSRYCZ-FQEVSTJZSA-N 1 0 399.466 2.734 50 0 GFAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000020236184 221479094 /nfs/dbraw/zinc/47/90/94/221479094.db2.gz LMPAHDZCWZGJGY-INIZCTEOSA-N 1 0 387.480 2.796 50 0 GFAARO Cc1cc2nc(NCc3ccc(N4CC[NH+](C)CC4)nc3)c3ccccc3n2n1 ZINC000040071563 132394143 /nfs/dbraw/zinc/39/41/43/132394143.db2.gz XPBLMKNXPYGOCJ-UHFFFAOYSA-N 1 0 387.491 2.950 50 0 GFAARO COc1ccc(CC[NH+]2CCN(c3ncc(Br)cn3)CC2)cc1 ZINC000058108764 136154390 /nfs/dbraw/zinc/15/43/90/136154390.db2.gz MVEBLSMHTMPODD-UHFFFAOYSA-N 1 0 377.286 2.612 50 0 GFAARO C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1cccc(F)c1 ZINC000058323644 136155248 /nfs/dbraw/zinc/15/52/48/136155248.db2.gz YYPMJMNDZIYYJE-KRWDZBQOSA-N 1 0 387.480 2.684 50 0 GFAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 ZINC000065245957 136161734 /nfs/dbraw/zinc/16/17/34/136161734.db2.gz MNSYNYGMANIBJL-UHFFFAOYSA-N 1 0 398.511 2.728 50 0 GFAARO C[C@H](CCNC(=O)[C@@H]1CCc2nc(N3CCC(C)CC3)ncc2C1)[NH+]1CCCC1 ZINC000065289575 136162666 /nfs/dbraw/zinc/16/26/66/136162666.db2.gz MVXGCZAGYIIFAD-RTBURBONSA-N 1 0 399.583 2.808 50 0 GFAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1)N1CCCC1 ZINC000071746697 136166035 /nfs/dbraw/zinc/16/60/35/136166035.db2.gz UFJDCRJRFOXNMJ-SFHVURJKSA-N 1 0 393.535 2.933 50 0 GFAARO COc1cc(OC)c2nc(N3CCC[C@@](O)(C[NH+]4CCCC4)C3)cc(C)c2c1 ZINC000082099058 136173596 /nfs/dbraw/zinc/17/35/96/136173596.db2.gz MYUBPBLHVPNUGH-JOCHJYFZSA-N 1 0 385.508 2.988 50 0 GFAARO Cc1cc(C)nc(N2CCN(C(=O)c3ccc([C@@H]4CCC[NH2+]C4)cc3)CC2)n1 ZINC000095352412 136177876 /nfs/dbraw/zinc/17/78/76/136177876.db2.gz FYFXZTVDZWJBPF-HXUWFJFHSA-N 1 0 379.508 2.523 50 0 GFAARO Cc1cc(N2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)nc(N)[nH+]1 ZINC000095527928 136181591 /nfs/dbraw/zinc/18/15/91/136181591.db2.gz LYAUMBDMFBTHPI-UHFFFAOYSA-N 1 0 381.480 2.651 50 0 GFAARO O=S1(=O)N=C(CN2CCC(C[NH+]3CCCCCC3)CC2)Nc2ccccc21 ZINC000057265283 222029479 /nfs/dbraw/zinc/02/94/79/222029479.db2.gz YJLVQLLDZLWWLB-UHFFFAOYSA-N 1 0 390.553 2.787 50 0 GFAARO CN1C(=O)Cc2ccccc2[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065169966 222104865 /nfs/dbraw/zinc/10/48/65/222104865.db2.gz SWCIRKPZSNZBLQ-QFIPXVFZSA-N 1 0 377.488 2.523 50 0 GFAARO Cc1ccc([C@@H](CNC(=O)CCc2nc(-c3cccnc3)no2)[NH+](C)C)cc1 ZINC000058181806 222044268 /nfs/dbraw/zinc/04/42/68/222044268.db2.gz MZUHTBHBHBZFPY-GOSISDBHSA-N 1 0 379.464 2.792 50 0 GFAARO O=C(c1nn(CC[NH+]2CCCCC2)c2ccccc21)N1CCC2(CC1)OCCO2 ZINC000064761058 222080836 /nfs/dbraw/zinc/08/08/36/222080836.db2.gz OFIKQTONPJNDDS-UHFFFAOYSA-N 1 0 398.507 2.501 50 0 GFAARO C[NH+]1CCN(CCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968170 222091456 /nfs/dbraw/zinc/09/14/56/222091456.db2.gz WDNPJUJHAZLEPK-UHFFFAOYSA-N 1 0 392.503 2.590 50 0 GFAARO COCC1(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000071747826 222189209 /nfs/dbraw/zinc/18/92/09/222189209.db2.gz MJYHOPTWMATUST-PWRODBHTSA-N 1 0 384.520 2.901 50 0 GFAARO CC[C@@H](CO)NC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000071748474 222189328 /nfs/dbraw/zinc/18/93/28/222189328.db2.gz JWJDUMKEENJZNM-NRFANRHFSA-N 1 0 387.568 2.559 50 0 GFAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000065329716 222123175 /nfs/dbraw/zinc/12/31/75/222123175.db2.gz LHHOIINBOUGLNI-UHFFFAOYSA-N 1 0 388.512 2.948 50 0 GFAARO OC[C@H]1CCCC[N@@H+]1CCn1cnc(-c2ccccc2)c1CCn1cccn1 ZINC000065428240 222130112 /nfs/dbraw/zinc/13/01/12/222130112.db2.gz MMXYOCGFLWMDDA-HXUWFJFHSA-N 1 0 379.508 2.836 50 0 GFAARO Cn1ncc2cc(NC(=O)c3cccc(CN4CCC[N@H+](C)CC4)c3)ccc21 ZINC000067541499 222148462 /nfs/dbraw/zinc/14/84/62/222148462.db2.gz HUSBUCVWCKLMND-UHFFFAOYSA-N 1 0 377.492 2.963 50 0 GFAARO Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000067620871 222152062 /nfs/dbraw/zinc/15/20/62/222152062.db2.gz RROFJMPXRXWLLM-UHFFFAOYSA-N 1 0 379.508 2.964 50 0 GFAARO O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000067674928 222153316 /nfs/dbraw/zinc/15/33/16/222153316.db2.gz VRNRBPUVRHNYNJ-NRFANRHFSA-N 1 0 391.515 2.856 50 0 GFAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908570 222166820 /nfs/dbraw/zinc/16/68/20/222166820.db2.gz PQKRUAUVLFHMQF-IBGZPJMESA-N 1 0 391.531 2.573 50 0 GFAARO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)CC1 ZINC000067920867 222168191 /nfs/dbraw/zinc/16/81/91/222168191.db2.gz SOTKJDWHJAKCHR-IBGZPJMESA-N 1 0 386.540 2.691 50 0 GFAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1c2ccccc2-c2ccccc21 ZINC000067975317 222172033 /nfs/dbraw/zinc/17/20/33/222172033.db2.gz PPRVLWONXKUJJJ-QRWLVFNGSA-N 1 0 377.488 2.596 50 0 GFAARO Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)n1 ZINC000071415730 222183762 /nfs/dbraw/zinc/18/37/62/222183762.db2.gz NSXLSXNKKZKFGH-QGZVFWFLSA-N 1 0 385.556 2.868 50 0 GFAARO CC(C)[C@H]1C[N@H+](CCC(=O)N2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071551909 222185396 /nfs/dbraw/zinc/18/53/96/222185396.db2.gz LILJLPLNEICGEF-HXUWFJFHSA-N 1 0 389.515 2.897 50 0 GFAARO Cc1ccccc1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071662551 222186306 /nfs/dbraw/zinc/18/63/06/222186306.db2.gz PKOGAOWOSKWZTB-NRFANRHFSA-N 1 0 397.563 2.767 50 0 GFAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1 ZINC000071759163 222194314 /nfs/dbraw/zinc/19/43/14/222194314.db2.gz OUAUUPVWFLCTSV-SFHVURJKSA-N 1 0 394.519 2.763 50 0 GFAARO Cc1cc(Cl)cc(Cl)c1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)C ZINC000072120725 222207728 /nfs/dbraw/zinc/20/77/28/222207728.db2.gz KZRZZPTTWKPTJD-MRXNPFEDSA-N 1 0 386.323 2.765 50 0 GFAARO CC(=O)NCCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072129280 222208332 /nfs/dbraw/zinc/20/83/32/222208332.db2.gz HSJCLOFLPUNDNE-FQEVSTJZSA-N 1 0 377.504 2.801 50 0 GFAARO CN1C[C@]2(CCC[N@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)OC1=O ZINC000072129094 222208635 /nfs/dbraw/zinc/20/86/35/222208635.db2.gz BOCQRRNZDFHEQX-OAQYLSRUSA-N 1 0 381.480 2.895 50 0 GFAARO CC(C)[C@H](CO)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072125426 222209650 /nfs/dbraw/zinc/20/96/50/222209650.db2.gz JMRZEBDLWSXBMU-QFIPXVFZSA-N 1 0 380.532 2.832 50 0 GFAARO O=C(CCc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072151588 222212690 /nfs/dbraw/zinc/21/26/90/222212690.db2.gz YFXSDGUNBQNVHT-PKTZIBPZSA-N 1 0 389.499 2.954 50 0 GFAARO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072169627 222215293 /nfs/dbraw/zinc/21/52/93/222215293.db2.gz VSGUACZPINNOAV-LJQANCHMSA-N 1 0 382.508 2.855 50 0 GFAARO Cc1ccc(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)c(F)c1F ZINC000072481409 222266542 /nfs/dbraw/zinc/26/65/42/222266542.db2.gz QPYAWTRWEFCOQU-CYBMUJFWSA-N 1 0 396.463 2.546 50 0 GFAARO CN1CC2(CC1=O)CC[NH+](Cc1ccc(OCCCn3ccnc3)cc1)CC2 ZINC000072477895 222267662 /nfs/dbraw/zinc/26/76/62/222267662.db2.gz LWJVMNMUCOJRJB-UHFFFAOYSA-N 1 0 382.508 2.797 50 0 GFAARO Cc1ccc(-c2cc(CNC(=O)CCc3cc4n(n3)CCC[NH2+]C4)no2)cc1 ZINC000072410558 222256015 /nfs/dbraw/zinc/25/60/15/222256015.db2.gz BDYPLRGHDOAKNM-UHFFFAOYSA-N 1 0 379.464 2.589 50 0 GFAARO COc1ccc(F)c(CN2CCC3(CN(CCC[NH+](C)C)C(=O)O3)CC2)c1 ZINC000072470434 222262856 /nfs/dbraw/zinc/26/28/56/222262856.db2.gz CADUMSABKSEJDE-UHFFFAOYSA-N 1 0 379.476 2.573 50 0 GFAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCc1csc(-c2cccs2)n1 ZINC000072477119 222264502 /nfs/dbraw/zinc/26/45/02/222264502.db2.gz ZSTFQRCRZJTOSS-UHFFFAOYSA-N 1 0 387.534 2.810 50 0 GFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)S(C)(=O)=O)CC1 ZINC000095500034 222333598 /nfs/dbraw/zinc/33/35/98/222333598.db2.gz XSHJCMOAYPOVMD-HXUWFJFHSA-N 1 0 380.554 2.648 50 0 GFAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)S(C)(=O)=O)CC1 ZINC000095500033 222334483 /nfs/dbraw/zinc/33/44/83/222334483.db2.gz XSHJCMOAYPOVMD-FQEVSTJZSA-N 1 0 380.554 2.648 50 0 GFAARO CN(C)c1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095504155 222335250 /nfs/dbraw/zinc/33/52/50/222335250.db2.gz GSKJBCSBKXXMLO-IBGZPJMESA-N 1 0 383.540 2.921 50 0 GFAARO CCN1CC[C@]2(CN(C(=O)c3csc4c3CCCC4)CC[N@@H+]2C)CCC1=O ZINC000095503655 222335728 /nfs/dbraw/zinc/33/57/28/222335728.db2.gz SGKGJDPHFAKQRN-NRFANRHFSA-N 1 0 389.565 2.786 50 0 GFAARO CCNc1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cn1 ZINC000095504888 222337761 /nfs/dbraw/zinc/33/77/61/222337761.db2.gz HDNZYMZMIWPRGL-UHFFFAOYSA-N 1 0 383.544 2.637 50 0 GFAARO Cc1oncc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095515181 222342665 /nfs/dbraw/zinc/34/26/65/222342665.db2.gz VHFJIFKEOUWOKM-MRXNPFEDSA-N 1 0 395.500 2.697 50 0 GFAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000077343043 222278943 /nfs/dbraw/zinc/27/89/43/222278943.db2.gz JILIGQMYZBWRQO-UHFFFAOYSA-N 1 0 380.492 2.632 50 0 GFAARO CCC(CC)CN1CC2(CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC2)OC1=O ZINC000077469773 222282774 /nfs/dbraw/zinc/28/27/74/222282774.db2.gz NROHDOFEWVJKNZ-KRWDZBQOSA-N 1 0 379.545 2.968 50 0 GFAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc4[nH]c(CO)nc4c3)C[C@H]2[NH+](C)C)cc1 ZINC000077542112 222284590 /nfs/dbraw/zinc/28/45/90/222284590.db2.gz CJVQCYRKSZIXMU-FXAWDEMLSA-N 1 0 378.476 2.533 50 0 GFAARO CC[NH+](CC)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 ZINC000078878188 222298182 /nfs/dbraw/zinc/29/81/82/222298182.db2.gz YYXWNTUFOMBUQS-KRWDZBQOSA-N 1 0 392.525 2.954 50 0 GFAARO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc2c([nH]c1=O)CCCC2 ZINC000079066867 222302256 /nfs/dbraw/zinc/30/22/56/222302256.db2.gz ZXMDWMXTXCNJQE-UHFFFAOYSA-N 1 0 395.503 2.710 50 0 GFAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120212 222311102 /nfs/dbraw/zinc/31/11/02/222311102.db2.gz BPLZQLQZRKWEGL-GOSISDBHSA-N 1 0 391.581 2.592 50 0 GFAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095522329 222347707 /nfs/dbraw/zinc/34/77/07/222347707.db2.gz HEYXGIQFSNEXDJ-HNNXBMFYSA-N 1 0 375.494 2.559 50 0 GFAARO COc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095523178 222348002 /nfs/dbraw/zinc/34/80/02/222348002.db2.gz DRNJIUQXCPNCAT-CEWLAPEOSA-N 1 0 381.451 2.932 50 0 GFAARO CC(C)n1ccnc1C1CCN(C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095526151 222350972 /nfs/dbraw/zinc/35/09/72/222350972.db2.gz GRQKPFATEYCMCG-GOSISDBHSA-N 1 0 375.561 2.586 50 0 GFAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[C@@H](O)C2)c1 ZINC000095531757 222354969 /nfs/dbraw/zinc/35/49/69/222354969.db2.gz AEFLCRVWPZFPRS-QGZVFWFLSA-N 1 0 388.508 2.688 50 0 GFAARO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000095943565 222362869 /nfs/dbraw/zinc/36/28/69/222362869.db2.gz KJRBPKRQPDPAGY-HXUWFJFHSA-N 1 0 396.915 2.627 50 0 GFAARO CC1CC[NH+](CCNC(=O)Nc2ccncc2I)CC1 ZINC000095996427 222368563 /nfs/dbraw/zinc/36/85/63/222368563.db2.gz CBCCRXIMTWKXDB-UHFFFAOYSA-N 1 0 388.253 2.540 50 0 GFAARO Cc1c([C@@H](C)[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)nnn1-c1ccc(F)cc1 ZINC000095996193 222370071 /nfs/dbraw/zinc/37/00/71/222370071.db2.gz ASLHZULZYOICOS-CZUORRHYSA-N 1 0 399.445 2.849 50 0 GFAARO O=C(c1cc[nH]c1)N1CCC2(CC[NH+](CCc3ccccc3)CC2)[C@H](CO)C1 ZINC000097447095 222444242 /nfs/dbraw/zinc/44/42/42/222444242.db2.gz KDQDYTUXGZXKKG-NRFANRHFSA-N 1 0 381.520 2.794 50 0 GFAARO Cc1cc(N2CCCN(C(=O)Nc3cccc(-n4cnnc4)c3)CC2)cc[nH+]1 ZINC000426590053 533891862 /nfs/dbraw/zinc/89/18/62/533891862.db2.gz XIKZHHWOOFKJDF-UHFFFAOYSA-N 1 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ZINC000426490516 528403155 /nfs/dbraw/zinc/40/31/55/528403155.db2.gz PUCKLSFQNCFIBW-UHFFFAOYSA-N 1 0 382.504 2.540 50 0 GFAARO CC1CC[NH+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000007446741 551100365 /nfs/dbraw/zinc/10/03/65/551100365.db2.gz LAIKEXCDXSOVFS-UHFFFAOYSA-N 1 0 387.933 2.651 50 0 GFAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000097165612 551196125 /nfs/dbraw/zinc/19/61/25/551196125.db2.gz CJPLVYFBTWOVHJ-TZMCWYRMSA-N 1 0 393.285 2.894 50 0 GFAARO C[C@@H]1CN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000154108308 551467878 /nfs/dbraw/zinc/46/78/78/551467878.db2.gz OWVHGOAAYZVWDP-VJBOLBCHSA-N 1 0 387.343 2.546 50 0 GFAARO O=S(=O)(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)s1 ZINC000225572913 553059377 /nfs/dbraw/zinc/05/93/77/553059377.db2.gz GSZTWBZFFMIRHZ-GFCCVEGCSA-N 1 0 380.988 2.897 50 0 GFAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccccc2Br)C1 ZINC000236588121 553069467 /nfs/dbraw/zinc/06/94/67/553069467.db2.gz HHAQPJDXAHZPIT-HOCLYGCPSA-N 1 0 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ZINC000048366156 570245946 /nfs/dbraw/zinc/24/59/46/570245946.db2.gz SAIDEEPOGSAUDA-LJQANCHMSA-N 1 0 383.521 2.907 50 0 GFAARO OCC[C@H]1CN(Cc2ccc3nonc3c2)CC[N@@H+]1CCCc1ccccc1 ZINC000020203635 570247454 /nfs/dbraw/zinc/24/74/54/570247454.db2.gz XUYSSIKSRHIGFI-FQEVSTJZSA-N 1 0 380.492 2.724 50 0 GFAARO COc1cc(/C=C/CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1O ZINC000020351090 570252577 /nfs/dbraw/zinc/25/25/77/570252577.db2.gz RQRRXNZSFSKRMN-FERLCFGISA-N 1 0 382.504 2.983 50 0 GFAARO CCC[C@H](NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F)c1nccn1C ZINC000097805496 570256453 /nfs/dbraw/zinc/25/64/53/570256453.db2.gz RXKBIFWMFABITL-ZDUSSCGKSA-N 1 0 383.449 2.594 50 0 GFAARO CCOc1ccc(CN2CCN(Cc3ccc(COC)o3)C[C@H]2CCO)cc1 ZINC000104462128 570258512 /nfs/dbraw/zinc/25/85/12/570258512.db2.gz OIWPKDZXTTZZSF-LJQANCHMSA-N 1 0 388.508 2.894 50 0 GFAARO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000006786999 570283976 /nfs/dbraw/zinc/28/39/76/570283976.db2.gz GTZAUIWNHZSWAT-LJQANCHMSA-N 1 0 387.480 2.789 50 0 GFAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000021275436 570289651 /nfs/dbraw/zinc/28/96/51/570289651.db2.gz JDOGLOQVBOISBE-QGZVFWFLSA-N 1 0 376.884 2.745 50 0 GFAARO C[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)CC1 ZINC000022914108 570334688 /nfs/dbraw/zinc/33/46/88/570334688.db2.gz JKLYBLRDULMBAL-UHFFFAOYSA-N 1 0 375.467 2.567 50 0 GFAARO CCOc1ccccc1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022919084 570335721 /nfs/dbraw/zinc/33/57/21/570335721.db2.gz AKWJMNOUFSXYOQ-QFIPXVFZSA-N 1 0 389.584 2.827 50 0 GFAARO CCn1ccnc1CN1CC[N@H+](Cc2ccc(OC)c(C)c2C)[C@@H](CCO)C1 ZINC000023373960 570357549 /nfs/dbraw/zinc/35/75/49/570357549.db2.gz FEQALAXBUNAZGR-FQEVSTJZSA-N 1 0 386.540 2.597 50 0 GFAARO CN1CCN(c2ccc(N3CCC([NH2+]CCc4ccccn4)CC3)cc2)C1=O ZINC000023380480 570359298 /nfs/dbraw/zinc/35/92/98/570359298.db2.gz UCEKKMJITMFYJK-UHFFFAOYSA-N 1 0 379.508 2.755 50 0 GFAARO CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3cc[nH+]cc3)CC1)C2=O ZINC000023652328 570367957 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CC1CC[NH+]([C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)c2cccs2)CC1 ZINC000027573200 570435865 /nfs/dbraw/zinc/43/58/65/570435865.db2.gz XMHDOQSYWQKAOK-GOSISDBHSA-N 1 0 396.520 2.927 50 0 GFAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000027662221 570438239 /nfs/dbraw/zinc/43/82/39/570438239.db2.gz MTJWZBZTVPVYFX-FQEVSTJZSA-N 1 0 387.911 2.824 50 0 GFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2ncc3c2-c2ccccc2OC3)C1 ZINC000006805268 570494092 /nfs/dbraw/zinc/49/40/92/570494092.db2.gz XEHZQECJAOSSKB-CALCHBBNSA-N 1 0 382.508 2.927 50 0 GFAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1 ZINC000036097160 570535421 /nfs/dbraw/zinc/53/54/21/570535421.db2.gz SVSZBBAXOJANDK-IBGZPJMESA-N 1 0 389.492 2.982 50 0 GFAARO Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022767159 570544210 /nfs/dbraw/zinc/54/42/10/570544210.db2.gz KMGSJWOVPPCVKN-LJQANCHMSA-N 1 0 393.578 2.632 50 0 GFAARO CCC[NH+](CCC)CCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751253 570569561 /nfs/dbraw/zinc/56/95/61/570569561.db2.gz SSDKKQHWKYUOSU-UHFFFAOYSA-N 1 0 375.513 2.739 50 0 GFAARO CC1(C)CC(NC(=O)c2[nH]cnc2C(=O)NC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000033003700 570617806 /nfs/dbraw/zinc/61/78/06/570617806.db2.gz DCEROJSZOWBBHI-UHFFFAOYSA-N 1 0 375.517 2.511 50 0 GFAARO Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000045966969 570649793 /nfs/dbraw/zinc/64/97/93/570649793.db2.gz HYSBUSDVZFITJQ-UHFFFAOYSA-N 1 0 379.504 2.768 50 0 GFAARO COc1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3O2)[NH+]2CCCC2)cc1 ZINC000033023391 570651436 /nfs/dbraw/zinc/65/14/36/570651436.db2.gz BPOZJBGPSLROCQ-GHTZIAJQSA-N 1 0 382.460 2.788 50 0 GFAARO Cc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000033024226 570652884 /nfs/dbraw/zinc/65/28/84/570652884.db2.gz DCHLYIOXEMYIFN-IBGZPJMESA-N 1 0 383.492 2.970 50 0 GFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000006881945 570677710 /nfs/dbraw/zinc/67/77/10/570677710.db2.gz ZJTGJOYXXQDLML-MRXNPFEDSA-N 1 0 393.553 2.840 50 0 GFAARO CC(C)n1c(CN2CCC(C(=O)N3CC[NH2+][C@H](C)C3)CC2)nc2ccccc21 ZINC000248146928 570721868 /nfs/dbraw/zinc/72/18/68/570721868.db2.gz FJKXMVKAORCKNW-QGZVFWFLSA-N 1 0 383.540 2.650 50 0 GFAARO COc1ccccc1[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)[NH+]1CCCC1 ZINC000032674722 570728211 /nfs/dbraw/zinc/72/82/11/570728211.db2.gz MLRYPQAQTCGVKG-HXUWFJFHSA-N 1 0 391.475 2.843 50 0 GFAARO COCC1CCN(C(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000065255764 570754245 /nfs/dbraw/zinc/75/42/45/570754245.db2.gz DUIBWRRKNHKJRH-NRFANRHFSA-N 1 0 394.519 2.731 50 0 GFAARO COc1ccc(-c2nccn3cc(C(=O)N4CC[NH+](CC(C)C)CC4)nc23)cc1 ZINC000065274445 570776898 /nfs/dbraw/zinc/77/68/98/570776898.db2.gz OYSFDNXGSDTXRS-UHFFFAOYSA-N 1 0 393.491 2.819 50 0 GFAARO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000015144321 570782372 /nfs/dbraw/zinc/78/23/72/570782372.db2.gz GVFBAQZKFLLBBB-AWEZNQCLSA-N 1 0 399.447 2.635 50 0 GFAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000004687247 570831480 /nfs/dbraw/zinc/83/14/80/570831480.db2.gz CBYGOIXMIBWQRH-HKUYNNGSSA-N 1 0 387.524 2.880 50 0 GFAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 ZINC000014532177 570847449 /nfs/dbraw/zinc/84/74/49/570847449.db2.gz LEUYRZYXOPAVGI-IBGZPJMESA-N 1 0 395.551 2.860 50 0 GFAARO Cc1ccc(C2=NN(CC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004708303 570855374 /nfs/dbraw/zinc/85/53/74/570855374.db2.gz ZKFBXZPUBYGCPS-ROUUACIJSA-N 1 0 384.524 2.701 50 0 GFAARO O=C(CCn1nnc2ccccc21)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299787741 570895832 /nfs/dbraw/zinc/89/58/32/570895832.db2.gz XQEQTHLKJSFIIK-HXUWFJFHSA-N 1 0 381.455 2.914 50 0 GFAARO CN(C[C@@H]1COCCO1)C(=O)c1cccc(-c2ccc3[nH+]ccc(N)c3c2)c1 ZINC000534634713 570911263 /nfs/dbraw/zinc/91/12/63/570911263.db2.gz CMSTUCPVIFKARJ-GOSISDBHSA-N 1 0 377.444 2.971 50 0 GFAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000106630969 570966455 /nfs/dbraw/zinc/96/64/55/570966455.db2.gz IWNPOKCRHAQPAA-ZOCIIQOWSA-N 1 0 378.467 2.717 50 0 GFAARO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000252482623 570968074 /nfs/dbraw/zinc/96/80/74/570968074.db2.gz DLHWZOCCUNDBRL-FQEVSTJZSA-N 1 0 375.538 2.828 50 0 GFAARO CCCC[N@H+](CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000004787802 570990406 /nfs/dbraw/zinc/99/04/06/570990406.db2.gz AATZSEQULIIDGK-UHFFFAOYSA-N 1 0 382.508 2.882 50 0 GFAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000045802248 570997034 /nfs/dbraw/zinc/99/70/34/570997034.db2.gz XTZKXHWLTCOBEB-UHFFFAOYSA-N 1 0 387.450 2.560 50 0 GFAARO O=C(NCCCC[NH+]1CCCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000091381726 571005337 /nfs/dbraw/zinc/00/53/37/571005337.db2.gz FAHPWUGGMNZGQG-SFHVURJKSA-N 1 0 375.488 2.557 50 0 GFAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3cnn(CC)c3)nc2)CC[N@@H+]1C(C)C ZINC000091477007 571010340 /nfs/dbraw/zinc/01/03/40/571010340.db2.gz NUNIBDRLQNTCDF-LJQANCHMSA-N 1 0 384.528 2.855 50 0 GFAARO C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1)[NH+]1CCCC1 ZINC000091547236 571013545 /nfs/dbraw/zinc/01/35/45/571013545.db2.gz DFFWEXFNVUFHKC-FQEVSTJZSA-N 1 0 397.563 2.945 50 0 GFAARO Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000091551135 571014393 /nfs/dbraw/zinc/01/43/93/571014393.db2.gz VUKWXOBKXKZZGC-LSDHHAIUSA-N 1 0 378.904 2.665 50 0 GFAARO O=c1[nH]c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1 ZINC000084535913 571022603 /nfs/dbraw/zinc/02/26/03/571022603.db2.gz DKCUTMSTLORCMV-QGZVFWFLSA-N 1 0 386.459 2.795 50 0 GFAARO CCN1C[C@@]2(CCC[N@H+](CCOc3c(OC)cccc3OC)C2)CCC1=O ZINC000091693723 571026454 /nfs/dbraw/zinc/02/64/54/571026454.db2.gz SCLQPNWCRLXYNO-NRFANRHFSA-N 1 0 376.497 2.807 50 0 GFAARO [NH3+][C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)c1ccccc1 ZINC000091706674 571026881 /nfs/dbraw/zinc/02/68/81/571026881.db2.gz AALQUVXVNPNPGJ-FQEVSTJZSA-N 1 0 375.476 2.732 50 0 GFAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000019691211 571029277 /nfs/dbraw/zinc/02/92/77/571029277.db2.gz KAHQGHLLOCPHCN-GOSISDBHSA-N 1 0 386.492 2.812 50 0 GFAARO Cc1ccc(-c2ncc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)c(=O)[nH]2)cc1 ZINC000091808200 571031275 /nfs/dbraw/zinc/03/12/75/571031275.db2.gz PKUCIWKKTROMLF-UHFFFAOYSA-N 1 0 380.492 2.836 50 0 GFAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1cn2ccsc2n1 ZINC000091871380 571034137 /nfs/dbraw/zinc/03/41/37/571034137.db2.gz KQHFUFDBFLWPKF-UHFFFAOYSA-N 1 0 384.509 2.671 50 0 GFAARO Cc1[nH]c2c(cccc2C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)c1C ZINC000092021263 571040811 /nfs/dbraw/zinc/04/08/11/571040811.db2.gz LHAXLEDBOMPMEY-UXHICEINSA-N 1 0 399.535 2.719 50 0 GFAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1ccc(CO)cc1 ZINC000092037336 571042185 /nfs/dbraw/zinc/04/21/85/571042185.db2.gz MMERNJFBSCWDBW-UHFFFAOYSA-N 1 0 382.508 2.844 50 0 GFAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCN(Cc2ccccn2)CC1 ZINC000095353490 571050916 /nfs/dbraw/zinc/05/09/16/571050916.db2.gz BXDMUCDDOWTDKJ-LJQANCHMSA-N 1 0 382.508 2.621 50 0 GFAARO O=C(CCCc1cn[nH]c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095374526 571063123 /nfs/dbraw/zinc/06/31/23/571063123.db2.gz DFOVTMOMVWIGHZ-KSEOMHKRSA-N 1 0 380.492 2.527 50 0 GFAARO Fc1cccc(-n2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)cn2)c1 ZINC000095376163 571064775 /nfs/dbraw/zinc/06/47/75/571064775.db2.gz NLJFDGXFIBPINV-OXQOHEQNSA-N 1 0 378.455 2.902 50 0 GFAARO Cc1cccc(CC(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c1 ZINC000095390399 571071947 /nfs/dbraw/zinc/07/19/47/571071947.db2.gz AZUXNQIDPLNQMM-UHFFFAOYSA-N 1 0 385.552 2.720 50 0 GFAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2ccncc2F)CC1 ZINC000095523288 571088794 /nfs/dbraw/zinc/08/87/94/571088794.db2.gz VPXCDNODGQFMRZ-UHFFFAOYSA-N 1 0 386.471 2.617 50 0 GFAARO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)Nc1nccn1Cc1ccc(Br)cc1 ZINC000888101818 663178466 /nfs/dbraw/zinc/17/84/66/663178466.db2.gz PFDBIXJKERLJDM-HIFRSBDPSA-N 1 0 395.276 2.970 50 0 GFAARO