smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000011951322 962213990 /nfs/dbraw/zinc/21/39/90/962213990.db2.gz FJMLSDSULQPWKT-VWLOTQADSA-N 1 3 410.606 3.930 50 0 HHAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012717004 962319693 /nfs/dbraw/zinc/31/96/93/962319693.db2.gz FSHANVCYOABKDC-FQEVSTJZSA-N 1 3 423.548 3.881 50 0 HHAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012717004 962319713 /nfs/dbraw/zinc/31/97/13/962319713.db2.gz FSHANVCYOABKDC-FQEVSTJZSA-N 1 3 423.548 3.881 50 0 HHAAHO Cn1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020453397 963388985 /nfs/dbraw/zinc/38/89/85/963388985.db2.gz LIOIJVSREJUSHN-UHFFFAOYSA-N 1 3 418.541 3.744 50 0 HHAAHO COCC1CCN(Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000011816719 558280134 /nfs/dbraw/zinc/28/01/34/558280134.db2.gz NFGVGRBYNUIFKA-HSZRJFAPSA-N 1 3 404.595 3.549 50 0 HHAAHO COCC1CCN(Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000011816719 558280136 /nfs/dbraw/zinc/28/01/36/558280136.db2.gz NFGVGRBYNUIFKA-HSZRJFAPSA-N 1 3 404.595 3.549 50 0 HHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952600 558303019 /nfs/dbraw/zinc/30/30/19/558303019.db2.gz GWBJUOKDXOHPCE-LJQANCHMSA-N 1 3 415.528 3.881 50 0 HHAAHO COc1cc(C(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC1CCN(C)CC1 ZINC000012001381 558308458 /nfs/dbraw/zinc/30/84/58/558308458.db2.gz OUSQFJGOSUSJGC-UHFFFAOYSA-N 1 3 417.594 3.549 50 0 HHAAHO COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012055353 558315601 /nfs/dbraw/zinc/31/56/01/558315601.db2.gz NRXLYAYUOABZBJ-QHCPKHFHSA-N 1 3 412.574 3.989 50 0 HHAAHO COc1ccccc1CCN1CCC[C@H](C[N@H+](C)Cc2cccn2-c2ncccn2)C1 ZINC000023366648 558552884 /nfs/dbraw/zinc/55/28/84/558552884.db2.gz ZHYYLGPZVGUWDR-OAQYLSRUSA-N 1 3 419.573 3.662 50 0 HHAAHO COc1ccccc1CCN1CCC[C@H](C[N@@H+](C)Cc2cccn2-c2ncccn2)C1 ZINC000023366648 558552888 /nfs/dbraw/zinc/55/28/88/558552888.db2.gz ZHYYLGPZVGUWDR-OAQYLSRUSA-N 1 3 419.573 3.662 50 0 HHAAHO Cc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ccncc4)CC3)CC2)cc1 ZINC000033129022 558882578 /nfs/dbraw/zinc/88/25/78/558882578.db2.gz GKUVYVZCNYDLQD-UHFFFAOYSA-N 1 3 406.574 3.635 50 0 HHAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC ZINC000012202025 962252680 /nfs/dbraw/zinc/25/26/80/962252680.db2.gz XOVWOFCEVCULRZ-JOCHJYFZSA-N 1 3 400.563 3.717 50 0 HHAAHO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 ZINC000012076205 558319827 /nfs/dbraw/zinc/31/98/27/558319827.db2.gz XJIXUZMUXVQFHE-DEOSSOPVSA-N 1 3 408.517 3.987 50 0 HHAAHO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 ZINC000012076205 558319828 /nfs/dbraw/zinc/31/98/28/558319828.db2.gz XJIXUZMUXVQFHE-DEOSSOPVSA-N 1 3 408.517 3.987 50 0 HHAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012205508 558352555 /nfs/dbraw/zinc/35/25/55/558352555.db2.gz CWFHFTDBRIDEGQ-OAQYLSRUSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012205508 558352558 /nfs/dbraw/zinc/35/25/58/558352558.db2.gz CWFHFTDBRIDEGQ-OAQYLSRUSA-N 1 3 404.526 3.512 50 0 HHAAHO O[C@H](COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000020454943 558368643 /nfs/dbraw/zinc/36/86/43/558368643.db2.gz KJMWVTLTNPQBQU-QFIPXVFZSA-N 1 3 402.966 3.898 50 0 HHAAHO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 ZINC000012572619 558429746 /nfs/dbraw/zinc/42/97/46/558429746.db2.gz CUUJOQNPEPKGBP-NRFANRHFSA-N 1 3 406.014 3.929 50 0 HHAAHO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 ZINC000012572619 558429747 /nfs/dbraw/zinc/42/97/47/558429747.db2.gz CUUJOQNPEPKGBP-NRFANRHFSA-N 1 3 406.014 3.929 50 0 HHAAHO C[C@H](CC1CC1)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012592993 558436443 /nfs/dbraw/zinc/43/64/43/558436443.db2.gz BXVLMHFZWWYKTP-MRXNPFEDSA-N 1 3 407.986 3.663 50 0 HHAAHO CN(Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000014963756 558685004 /nfs/dbraw/zinc/68/50/04/558685004.db2.gz BFZQMTBKIFFWHG-UHFFFAOYSA-N 1 3 407.537 3.793 50 0 HHAAHO Cc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183312 558875238 /nfs/dbraw/zinc/87/52/38/558875238.db2.gz QISPJOWAWNJVIT-QHCPKHFHSA-N 1 3 420.601 3.911 50 0 HHAAHO Cc1ccccc1CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183312 558875240 /nfs/dbraw/zinc/87/52/40/558875240.db2.gz QISPJOWAWNJVIT-QHCPKHFHSA-N 1 3 420.601 3.911 50 0 HHAAHO Fc1ccc(Cn2nc(CNCC3CC[NH2+]CC3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492211 568820485 /nfs/dbraw/zinc/82/04/85/568820485.db2.gz VPJJNDKZRIHCQS-UHFFFAOYSA-N 1 3 413.928 3.875 50 0 HHAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3ccncc3)C[C@@H]3CCCO3)CC1)C2 ZINC000011938491 962211796 /nfs/dbraw/zinc/21/17/96/962211796.db2.gz RUUAFROVJDGKFT-SANMLTNESA-N 1 3 405.586 3.942 50 0 HHAAHO Cc1c(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cnn1C ZINC000011951327 962214285 /nfs/dbraw/zinc/21/42/85/962214285.db2.gz FJMLSDSULQPWKT-RUZDIDTESA-N 1 3 410.606 3.930 50 0 HHAAHO C[C@H](CC1(C)CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012705004 962314207 /nfs/dbraw/zinc/31/42/07/962314207.db2.gz NJGZXEODDWLLPA-LJQANCHMSA-N 1 3 401.595 3.742 50 0 HHAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000012755368 962324524 /nfs/dbraw/zinc/32/45/24/962324524.db2.gz MESXQNNJHQLMGC-HSZRJFAPSA-N 1 3 415.622 3.734 50 0 HHAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000012755368 962324540 /nfs/dbraw/zinc/32/45/40/962324540.db2.gz MESXQNNJHQLMGC-HSZRJFAPSA-N 1 3 415.622 3.734 50 0 HHAAHO O[C@H](COc1ccc(C[NH2+]CCn2ccc3ccccc32)cc1)CN1CCCCC1 ZINC000011818505 558281796 /nfs/dbraw/zinc/28/17/96/558281796.db2.gz VTQVETSCBYWVKX-QHCPKHFHSA-N 1 3 407.558 3.657 50 0 HHAAHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)CC1 ZINC000012111802 558326174 /nfs/dbraw/zinc/32/61/74/558326174.db2.gz ZJHUMQXIALRMAY-FQEVSTJZSA-N 1 3 403.586 3.659 50 0 HHAAHO C[N@@H+](Cc1ccc(OCCO)cc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012613095 558439118 /nfs/dbraw/zinc/43/91/18/558439118.db2.gz LAAZEEYATJBXSP-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO C[N@H+](Cc1ccc(OCCO)cc1)CC1CCN(CCc2ccc(F)cc2)CC1 ZINC000012613095 558439120 /nfs/dbraw/zinc/43/91/20/558439120.db2.gz LAAZEEYATJBXSP-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000012718107 558455946 /nfs/dbraw/zinc/45/59/46/558455946.db2.gz ZYPYGAFWCCEIFY-SANMLTNESA-N 1 3 416.565 3.815 50 0 HHAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cccn3-c3ncccn3)CC2)cc1 ZINC000014974663 558688867 /nfs/dbraw/zinc/68/88/67/558688867.db2.gz WXERQGLBPOIRQY-UHFFFAOYSA-N 1 3 419.573 3.662 50 0 HHAAHO Cc1ccc(CN2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)o1 ZINC000014982026 558692259 /nfs/dbraw/zinc/69/22/59/558692259.db2.gz QAQMIFURQZXYPU-UHFFFAOYSA-N 1 3 403.596 3.674 50 0 HHAAHO C[NH+](C)CCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019808896 558777540 /nfs/dbraw/zinc/77/75/40/558777540.db2.gz LXTOBPMIIKMKLX-UHFFFAOYSA-N 1 3 409.574 3.546 50 0 HHAAHO CCN(Cc1cccc(OCCO)c1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055244911 558877368 /nfs/dbraw/zinc/87/73/68/558877368.db2.gz LCPNDANJCQSZLQ-QHCPKHFHSA-N 1 3 414.565 3.973 50 0 HHAAHO CCN(Cc1cccc(OCCO)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000055244911 558877372 /nfs/dbraw/zinc/87/73/72/558877372.db2.gz LCPNDANJCQSZLQ-QHCPKHFHSA-N 1 3 414.565 3.973 50 0 HHAAHO COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000015062379 568748975 /nfs/dbraw/zinc/74/89/75/568748975.db2.gz XFXPPJZKEIHVSW-HSZRJFAPSA-N 1 3 412.574 3.943 50 0 HHAAHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012879095 569014067 /nfs/dbraw/zinc/01/40/67/569014067.db2.gz ASYKZGVEODZQHS-DNQXCXABSA-N 1 3 406.574 3.960 50 0 HHAAHO O[C@@H](COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)CN1CCc2ccccc2C1 ZINC000012702260 962314282 /nfs/dbraw/zinc/31/42/82/962314282.db2.gz BILKMLFBRLYXNU-XMMPIXPASA-N 1 3 406.570 3.763 50 0 HHAAHO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000019222367 963357511 /nfs/dbraw/zinc/35/75/11/963357511.db2.gz UOOKEUKXPMFVSC-SANMLTNESA-N 1 3 413.650 3.766 50 0 HHAAHO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000019222367 963357516 /nfs/dbraw/zinc/35/75/16/963357516.db2.gz UOOKEUKXPMFVSC-SANMLTNESA-N 1 3 413.650 3.766 50 0 HHAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012314072 558377553 /nfs/dbraw/zinc/37/75/53/558377553.db2.gz FGTKHRUFFBCOQK-QHCPKHFHSA-N 1 3 412.574 3.909 50 0 HHAAHO CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](CC)CC1 ZINC000012711562 558452681 /nfs/dbraw/zinc/45/26/81/558452681.db2.gz XLWNDVDNCSQBDS-NRFANRHFSA-N 1 3 403.586 3.661 50 0 HHAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000015068416 558710817 /nfs/dbraw/zinc/71/08/17/558710817.db2.gz QJTZZIJFJZKXIK-JOCHJYFZSA-N 1 3 422.013 3.625 50 0 HHAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004690499 558904314 /nfs/dbraw/zinc/90/43/14/558904314.db2.gz NONUIFBXSIXYFG-UHFFFAOYSA-N 1 3 423.601 3.936 50 0 HHAAHO CN(c1ccccc1CNCc1ccccc1Cn1cccn1)C1CC[NH+](C)CC1 ZINC000079073507 569426844 /nfs/dbraw/zinc/42/68/44/569426844.db2.gz WTRSFNYTOILCPL-UHFFFAOYSA-N 1 3 403.574 3.752 50 0 HHAAHO CN(C)CCN(C)C(=O)c1cccc(OC2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000012193600 962250933 /nfs/dbraw/zinc/25/09/33/962250933.db2.gz YBPTXPFHCMZMRA-UHFFFAOYSA-N 1 3 401.595 3.886 50 0 HHAAHO Cc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CCO ZINC000023375257 963811033 /nfs/dbraw/zinc/81/10/33/963811033.db2.gz UNZKDBYGEMLSCD-SANMLTNESA-N 1 3 407.602 3.528 50 0 HHAAHO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011933426 558298234 /nfs/dbraw/zinc/29/82/34/558298234.db2.gz IEDREFAFVXETGR-HSZRJFAPSA-N 1 3 412.574 3.595 50 0 HHAAHO COc1ccc(C[N@@H+](C)CCc2ccccc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011933426 558298235 /nfs/dbraw/zinc/29/82/35/558298235.db2.gz IEDREFAFVXETGR-HSZRJFAPSA-N 1 3 412.574 3.595 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012076540 558320221 /nfs/dbraw/zinc/32/02/21/558320221.db2.gz UVBRARIDQWBIDI-NRFANRHFSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012076540 558320224 /nfs/dbraw/zinc/32/02/24/558320224.db2.gz UVBRARIDQWBIDI-NRFANRHFSA-N 1 3 404.526 3.512 50 0 HHAAHO CC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212341 558347747 /nfs/dbraw/zinc/34/77/47/558347747.db2.gz RUGMAWYFZRANSR-JOCHJYFZSA-N 1 3 424.555 3.776 50 0 HHAAHO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755061 558459886 /nfs/dbraw/zinc/45/98/86/558459886.db2.gz VAZLHZAFMINZAC-HSZRJFAPSA-N 1 3 409.574 3.705 50 0 HHAAHO O=C(N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755061 558459889 /nfs/dbraw/zinc/45/98/89/558459889.db2.gz VAZLHZAFMINZAC-HSZRJFAPSA-N 1 3 409.574 3.705 50 0 HHAAHO COCC[N@@H+](Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014960850 558683904 /nfs/dbraw/zinc/68/39/04/558683904.db2.gz NUNDMQNFFUEJDQ-UHFFFAOYSA-N 1 3 424.545 3.592 50 0 HHAAHO COCC[N@H+](Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014960850 558683906 /nfs/dbraw/zinc/68/39/06/558683906.db2.gz NUNDMQNFFUEJDQ-UHFFFAOYSA-N 1 3 424.545 3.592 50 0 HHAAHO O=C1C[C@@H](NCC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018220158 558833944 /nfs/dbraw/zinc/83/39/44/558833944.db2.gz QMIKRFQPQXMFLL-LJQANCHMSA-N 1 3 417.962 3.535 50 0 HHAAHO COc1ccc(C(=O)NCCCN(C)CCC[N@H+](C)Cc2ccccc2)cc1Cl ZINC000059181915 558932299 /nfs/dbraw/zinc/93/22/99/558932299.db2.gz BDBYYNWZMMXJHX-UHFFFAOYSA-N 1 3 417.981 3.922 50 0 HHAAHO COc1ccc(C(=O)NCCCN(C)CCC[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000059181915 558932300 /nfs/dbraw/zinc/93/23/00/558932300.db2.gz BDBYYNWZMMXJHX-UHFFFAOYSA-N 1 3 417.981 3.922 50 0 HHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccc(CO)o2)C[C@@H]2CCCO2)CC1 ZINC000011763078 962182482 /nfs/dbraw/zinc/18/24/82/962182482.db2.gz RGIQHRNOPIOYFM-QHCPKHFHSA-N 1 3 412.574 3.974 50 0 HHAAHO Cc1noc([C@@]23CN(CCc4ccccc4)C[C@@H]2CC[N@H+](CCc2ccccc2)C3)n1 ZINC000257188228 970622232 /nfs/dbraw/zinc/62/22/32/970622232.db2.gz DRZYGYKDJVITSL-AHWVRZQESA-N 1 3 416.569 3.739 50 0 HHAAHO Cc1noc([C@@]23CN(CCc4ccccc4)C[C@@H]2CC[N@@H+](CCc2ccccc2)C3)n1 ZINC000257188228 970622240 /nfs/dbraw/zinc/62/22/40/970622240.db2.gz DRZYGYKDJVITSL-AHWVRZQESA-N 1 3 416.569 3.739 50 0 HHAAHO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011998423 558307511 /nfs/dbraw/zinc/30/75/11/558307511.db2.gz CKUCZFQGCUHIKI-QHCPKHFHSA-N 1 3 412.574 3.562 50 0 HHAAHO CCN(CC)CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373326 558390855 /nfs/dbraw/zinc/39/08/55/558390855.db2.gz HPDBLLPZLCALRO-XMMPIXPASA-N 1 3 415.622 3.556 50 0 HHAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000012718105 558455981 /nfs/dbraw/zinc/45/59/81/558455981.db2.gz ZYPYGAFWCCEIFY-AREMUKBSSA-N 1 3 416.565 3.815 50 0 HHAAHO Cc1nn(CCO)cc1C[N@@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072458469 558983065 /nfs/dbraw/zinc/98/30/65/558983065.db2.gz JSKPHFPZEDKDEL-UHFFFAOYSA-N 1 3 419.573 3.675 50 0 HHAAHO Cc1nn(CCO)cc1C[N@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072458469 558983068 /nfs/dbraw/zinc/98/30/68/558983068.db2.gz JSKPHFPZEDKDEL-UHFFFAOYSA-N 1 3 419.573 3.675 50 0 HHAAHO O=C(NCc1ccco1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082092605 559037106 /nfs/dbraw/zinc/03/71/06/559037106.db2.gz XVMDHLBETRAOTL-UHFFFAOYSA-N 1 3 409.574 3.705 50 0 HHAAHO CCn1cc(C[N@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011879245 962204883 /nfs/dbraw/zinc/20/48/83/962204883.db2.gz IJHFTWGIADDJSV-UHFFFAOYSA-N 1 3 402.558 3.711 50 0 HHAAHO CCn1cc(C[N@@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011879245 962204898 /nfs/dbraw/zinc/20/48/98/962204898.db2.gz IJHFTWGIADDJSV-UHFFFAOYSA-N 1 3 402.558 3.711 50 0 HHAAHO O[C@@H](COc1ccccc1C[NH2+]C(C1CC1)C1CC1)CN1CCc2ccccc2C1 ZINC000012387155 962273751 /nfs/dbraw/zinc/27/37/51/962273751.db2.gz UACQWMSMVCHSEV-XMMPIXPASA-N 1 3 406.570 3.763 50 0 HHAAHO CN1CCC([N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000020540195 523766662 /nfs/dbraw/zinc/76/66/62/523766662.db2.gz UUNYSQSATRMLON-HSZRJFAPSA-N 1 3 403.586 3.613 50 0 HHAAHO CN1CCC([N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000020540195 523766671 /nfs/dbraw/zinc/76/66/71/523766671.db2.gz UUNYSQSATRMLON-HSZRJFAPSA-N 1 3 403.586 3.613 50 0 HHAAHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 ZINC000011817140 558280381 /nfs/dbraw/zinc/28/03/81/558280381.db2.gz RIPMJQGFORJIGI-QFIPXVFZSA-N 1 3 403.586 3.659 50 0 HHAAHO CC(C)[N@H+]1CCC[C@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 ZINC000011817140 558280384 /nfs/dbraw/zinc/28/03/84/558280384.db2.gz RIPMJQGFORJIGI-QFIPXVFZSA-N 1 3 403.586 3.659 50 0 HHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996963 558306849 /nfs/dbraw/zinc/30/68/49/558306849.db2.gz NDGZXZRUORZAKD-FQEVSTJZSA-N 1 3 401.570 3.928 50 0 HHAAHO Cc1ccc([C@H](C)CC[NH+]2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000011996742 558306947 /nfs/dbraw/zinc/30/69/47/558306947.db2.gz ZQFJJVSAEIOORJ-LJQANCHMSA-N 1 3 401.595 3.880 50 0 HHAAHO CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000012056920 558316110 /nfs/dbraw/zinc/31/61/10/558316110.db2.gz OUXACKJYKVAILL-JOCHJYFZSA-N 1 3 403.586 3.661 50 0 HHAAHO C[N@@H+](Cc1cccc(OCCO)c1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012592964 962299328 /nfs/dbraw/zinc/29/93/28/962299328.db2.gz XODMDBQVBIUZHG-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO C[N@H+](Cc1cccc(OCCO)c1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012592964 962299341 /nfs/dbraw/zinc/29/93/41/962299341.db2.gz XODMDBQVBIUZHG-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO CSc1cccc(CNCc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)c1 ZINC000012710868 962315739 /nfs/dbraw/zinc/31/57/39/962315739.db2.gz FLMXCATVUWTSNY-OAQYLSRUSA-N 1 3 400.588 3.924 50 0 HHAAHO COCCN(Cc1cnn(C(C)C)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014977282 962616821 /nfs/dbraw/zinc/61/68/21/962616821.db2.gz SXZDOJKJEINWGN-UHFFFAOYSA-N 1 3 414.594 3.833 50 0 HHAAHO COCC[N@@H+](Cc1cnn(C(C)C)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014977282 962616826 /nfs/dbraw/zinc/61/68/26/962616826.db2.gz SXZDOJKJEINWGN-UHFFFAOYSA-N 1 3 414.594 3.833 50 0 HHAAHO COCC[N@H+](Cc1cnn(C(C)C)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000014977282 962616837 /nfs/dbraw/zinc/61/68/37/962616837.db2.gz SXZDOJKJEINWGN-UHFFFAOYSA-N 1 3 414.594 3.833 50 0 HHAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541703 526467929 /nfs/dbraw/zinc/46/79/29/526467929.db2.gz IOCXSNIZVMPXIC-HSZRJFAPSA-N 1 3 409.618 3.733 50 0 HHAAHO Cc1cccc([C@H]2C[C@@H](C(=O)NCCN3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711165 557390360 /nfs/dbraw/zinc/39/03/60/557390360.db2.gz CEZSQVONUKUXAV-BJKOFHAPSA-N 1 3 423.576 3.952 50 0 HHAAHO Cc1cccc([C@H]2C[C@@H](C(=O)NCCN3CCCC3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711165 557390363 /nfs/dbraw/zinc/39/03/63/557390363.db2.gz CEZSQVONUKUXAV-BJKOFHAPSA-N 1 3 423.576 3.952 50 0 HHAAHO O=C1C[C@H](NCC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004784439 557597668 /nfs/dbraw/zinc/59/76/68/557597668.db2.gz QMIKRFQPQXMFLL-IBGZPJMESA-N 1 3 417.962 3.535 50 0 HHAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cnc(SC)nc3)CC2)cc1 ZINC000012073309 558318354 /nfs/dbraw/zinc/31/83/54/558318354.db2.gz VRYYNHFDWTZPQS-UHFFFAOYSA-N 1 3 400.592 3.594 50 0 HHAAHO C[N@H+](C[C@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 ZINC000014975368 558689114 /nfs/dbraw/zinc/68/91/14/558689114.db2.gz GDRYLGHEUJHSGX-QHCPKHFHSA-N 1 3 412.574 3.859 50 0 HHAAHO C[N@@H+](C[C@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 ZINC000014975368 558689117 /nfs/dbraw/zinc/68/91/17/558689117.db2.gz GDRYLGHEUJHSGX-QHCPKHFHSA-N 1 3 412.574 3.859 50 0 HHAAHO COCC[N@@H+](Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000055153099 558874297 /nfs/dbraw/zinc/87/42/97/558874297.db2.gz BEGLGKOPMLMQAP-UHFFFAOYSA-N 1 3 412.509 3.723 50 0 HHAAHO COCC[N@H+](Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000055153099 558874298 /nfs/dbraw/zinc/87/42/98/558874298.db2.gz BEGLGKOPMLMQAP-UHFFFAOYSA-N 1 3 412.509 3.723 50 0 HHAAHO Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499036 559081955 /nfs/dbraw/zinc/08/19/55/559081955.db2.gz VSFHVPXWODAIKA-OAQYLSRUSA-N 1 3 400.611 3.608 50 0 HHAAHO Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095499036 559081957 /nfs/dbraw/zinc/08/19/57/559081957.db2.gz VSFHVPXWODAIKA-OAQYLSRUSA-N 1 3 400.611 3.608 50 0 HHAAHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000031664262 568837648 /nfs/dbraw/zinc/83/76/48/568837648.db2.gz SWXAJJMZVNFCRQ-UHFFFAOYSA-N 1 3 406.574 3.746 50 0 HHAAHO Cn1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2cc(Cl)ccc21 ZINC000064669779 569078904 /nfs/dbraw/zinc/07/89/04/569078904.db2.gz LBLSVSLAODZXBX-UHFFFAOYSA-N 1 3 416.997 3.646 50 0 HHAAHO COc1cc(CNCc2cccc(F)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000015063038 962645062 /nfs/dbraw/zinc/64/50/62/962645062.db2.gz JJJBDWRRDLIKSF-QFIPXVFZSA-N 1 3 416.537 3.740 50 0 HHAAHO Cc1cccc([C@H]2C[C@H](C(=O)NCCN3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711163 557390456 /nfs/dbraw/zinc/39/04/56/557390456.db2.gz CEZSQVONUKUXAV-ZEQRLZLVSA-N 1 3 423.576 3.952 50 0 HHAAHO Cc1cccc([C@H]2C[C@H](C(=O)NCCN3CCCC3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711163 557390461 /nfs/dbraw/zinc/39/04/61/557390461.db2.gz CEZSQVONUKUXAV-ZEQRLZLVSA-N 1 3 423.576 3.952 50 0 HHAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012314073 558377514 /nfs/dbraw/zinc/37/75/14/558377514.db2.gz FGTKHRUFFBCOQK-HSZRJFAPSA-N 1 3 412.574 3.909 50 0 HHAAHO CCN(CC)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373325 558390757 /nfs/dbraw/zinc/39/07/57/558390757.db2.gz HPDBLLPZLCALRO-DEOSSOPVSA-N 1 3 415.622 3.556 50 0 HHAAHO COC(=O)c1ccc(C[N@H+](C)CC2CCN(CCc3ccccc3OC)CC2)cc1 ZINC000012453696 558416547 /nfs/dbraw/zinc/41/65/47/558416547.db2.gz LHDWCFGSLYSFFP-UHFFFAOYSA-N 1 3 410.558 3.868 50 0 HHAAHO COC(=O)c1ccc(C[N@@H+](C)CC2CCN(CCc3ccccc3OC)CC2)cc1 ZINC000012453696 558416550 /nfs/dbraw/zinc/41/65/50/558416550.db2.gz LHDWCFGSLYSFFP-UHFFFAOYSA-N 1 3 410.558 3.868 50 0 HHAAHO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(SCCN3CCCCC3)nc2)C1 ZINC000033274478 558763836 /nfs/dbraw/zinc/76/38/36/558763836.db2.gz YTCGALHGNPTHCB-LJQANCHMSA-N 1 3 404.624 3.511 50 0 HHAAHO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(SCCN3CCCCC3)nc2)C1 ZINC000033274478 558763837 /nfs/dbraw/zinc/76/38/37/558763837.db2.gz YTCGALHGNPTHCB-LJQANCHMSA-N 1 3 404.624 3.511 50 0 HHAAHO O[C@H](COc1cccc(C[NH2+]Cc2ccccc2)c1)CN1CCc2ccccc2C1 ZINC000011950823 559268929 /nfs/dbraw/zinc/26/89/29/559268929.db2.gz NWKOQLFUZMWAGA-VWLOTQADSA-N 1 3 402.538 3.774 50 0 HHAAHO O[C@@H](COc1cccc(C[NH2+]Cc2ccccc2)c1)CN1CCc2ccccc2C1 ZINC000011950817 559268964 /nfs/dbraw/zinc/26/89/64/559268964.db2.gz NWKOQLFUZMWAGA-RUZDIDTESA-N 1 3 402.538 3.774 50 0 HHAAHO CCn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000014955646 568474324 /nfs/dbraw/zinc/47/43/24/568474324.db2.gz OJMWEXKMZSBYKU-AREMUKBSSA-N 1 3 422.617 3.763 50 0 HHAAHO Cc1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012446769 569382497 /nfs/dbraw/zinc/38/24/97/569382497.db2.gz PPYKAPTUZOOTHW-RUZDIDTESA-N 1 3 408.590 3.579 50 0 HHAAHO Cc1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012446766 569382511 /nfs/dbraw/zinc/38/25/11/569382511.db2.gz PPYKAPTUZOOTHW-VWLOTQADSA-N 1 3 408.590 3.579 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)cc1 ZINC000012456138 962283085 /nfs/dbraw/zinc/28/30/85/962283085.db2.gz HWWOGCYYHYHAKK-QHCPKHFHSA-N 1 3 414.590 3.970 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)cc1 ZINC000012456138 962283102 /nfs/dbraw/zinc/28/31/02/962283102.db2.gz HWWOGCYYHYHAKK-QHCPKHFHSA-N 1 3 414.590 3.970 50 0 HHAAHO CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](CC)CC1 ZINC000012711559 558452712 /nfs/dbraw/zinc/45/27/12/558452712.db2.gz XLWNDVDNCSQBDS-OAQYLSRUSA-N 1 3 403.586 3.661 50 0 HHAAHO CN(C)[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC000012758346 558460316 /nfs/dbraw/zinc/46/03/16/558460316.db2.gz MPPWLMJTSPLRDJ-QHCPKHFHSA-N 1 3 421.585 3.549 50 0 HHAAHO O=C(CCC1CC[NH+](C2CCSCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000015067753 558710342 /nfs/dbraw/zinc/71/03/42/558710342.db2.gz WXARCCRKFBHKAW-QFIPXVFZSA-N 1 3 415.647 3.765 50 0 HHAAHO CC(C)/C=C/CN1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000015077799 558717343 /nfs/dbraw/zinc/71/73/43/558717343.db2.gz YVXIUOOZOJHWKW-AATRIKPKSA-N 1 3 407.986 3.687 50 0 HHAAHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012879120 569014092 /nfs/dbraw/zinc/01/40/92/569014092.db2.gz ASYKZGVEODZQHS-ZEQRLZLVSA-N 1 3 406.574 3.960 50 0 HHAAHO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 ZINC000011843832 962201853 /nfs/dbraw/zinc/20/18/53/962201853.db2.gz IKOTXIRIHNDITM-HSZRJFAPSA-N 1 3 415.622 3.674 50 0 HHAAHO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 ZINC000011843832 962201869 /nfs/dbraw/zinc/20/18/69/962201869.db2.gz IKOTXIRIHNDITM-HSZRJFAPSA-N 1 3 415.622 3.674 50 0 HHAAHO c1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc1 ZINC000012308507 558376765 /nfs/dbraw/zinc/37/67/65/558376765.db2.gz NJPIXUSARONFBC-SANMLTNESA-N 1 3 405.586 3.942 50 0 HHAAHO C[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012718583 558456165 /nfs/dbraw/zinc/45/61/65/558456165.db2.gz UOLHCBJQDWUQDO-MRXNPFEDSA-N 1 3 415.500 3.504 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012764352 558461672 /nfs/dbraw/zinc/46/16/72/558461672.db2.gz LFGJNSLLCFYNRJ-QFIPXVFZSA-N 1 3 416.537 3.658 50 0 HHAAHO CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015061515 558704720 /nfs/dbraw/zinc/70/47/20/558704720.db2.gz MHFWVJQEXHEIIO-LJQANCHMSA-N 1 3 419.997 3.902 50 0 HHAAHO O[C@H](COc1cccc(C[NH2+]Cc2cccs2)c1)CN1CCc2ccccc2C1 ZINC000015065011 558707782 /nfs/dbraw/zinc/70/77/82/558707782.db2.gz ZXVDSILFEFGMLR-QFIPXVFZSA-N 1 3 408.567 3.836 50 0 HHAAHO COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000015078099 568750063 /nfs/dbraw/zinc/75/00/63/568750063.db2.gz QMTWSANKOHZGCJ-NRFANRHFSA-N 1 3 418.965 3.516 50 0 HHAAHO Cc1ccc2c(c1)CN(CCC(=O)NCC1CC[NH+](C3CCCC3)CC1)C[C@H](C)O2 ZINC000011788671 962190290 /nfs/dbraw/zinc/19/02/90/962190290.db2.gz KLDQRNZVWFVSJI-FQEVSTJZSA-N 1 3 413.606 3.739 50 0 HHAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3ccncc3)C[C@H]3CCCO3)CC1)C2 ZINC000011938490 962212058 /nfs/dbraw/zinc/21/20/58/962212058.db2.gz RUUAFROVJDGKFT-AREMUKBSSA-N 1 3 405.586 3.942 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)cc1 ZINC000012456141 962282616 /nfs/dbraw/zinc/28/26/16/962282616.db2.gz HWWOGCYYHYHAKK-HSZRJFAPSA-N 1 3 414.590 3.970 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)cc1 ZINC000012456141 962282628 /nfs/dbraw/zinc/28/26/28/962282628.db2.gz HWWOGCYYHYHAKK-HSZRJFAPSA-N 1 3 414.590 3.970 50 0 HHAAHO O=C(NCCc1ccco1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012076748 558320136 /nfs/dbraw/zinc/32/01/36/558320136.db2.gz IAXZVGJYUMQEDB-UHFFFAOYSA-N 1 3 423.601 3.748 50 0 HHAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2cc(F)ccc2C)ccc1OC ZINC000012111741 558326121 /nfs/dbraw/zinc/32/61/21/558326121.db2.gz OPKHHKIIBUOGNU-NRFANRHFSA-N 1 3 404.526 3.514 50 0 HHAAHO CCN(CC)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000023360974 558552232 /nfs/dbraw/zinc/55/22/32/558552232.db2.gz VKLIRTDFXHTEOX-DEOSSOPVSA-N 1 3 417.638 3.738 50 0 HHAAHO CCN(CC)Cc1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000023360974 558552233 /nfs/dbraw/zinc/55/22/33/558552233.db2.gz VKLIRTDFXHTEOX-DEOSSOPVSA-N 1 3 417.638 3.738 50 0 HHAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095505844 559083229 /nfs/dbraw/zinc/08/32/29/559083229.db2.gz KFLNTHHBPLROGZ-OAQYLSRUSA-N 1 3 402.579 3.829 50 0 HHAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000011956292 559269237 /nfs/dbraw/zinc/26/92/37/559269237.db2.gz FBRJMWFDUKZIJT-RUZDIDTESA-N 1 3 404.554 3.891 50 0 HHAAHO COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012056943 558316426 /nfs/dbraw/zinc/31/64/26/558316426.db2.gz QRPWIRVIBQAOGJ-HSZRJFAPSA-N 1 3 424.585 3.845 50 0 HHAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012203817 558352004 /nfs/dbraw/zinc/35/20/04/558352004.db2.gz ZTJGEFFPYJNTPI-LJQANCHMSA-N 1 3 404.576 3.581 50 0 HHAAHO c1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nc1 ZINC000012308506 558376752 /nfs/dbraw/zinc/37/67/52/558376752.db2.gz NJPIXUSARONFBC-AREMUKBSSA-N 1 3 405.586 3.942 50 0 HHAAHO O=C([C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014745328 558668790 /nfs/dbraw/zinc/66/87/90/558668790.db2.gz WYKRONCHOQKCFV-RCZVLFRGSA-N 1 3 405.586 3.996 50 0 HHAAHO O=C([C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014745328 558668792 /nfs/dbraw/zinc/66/87/92/558668792.db2.gz WYKRONCHOQKCFV-RCZVLFRGSA-N 1 3 405.586 3.996 50 0 HHAAHO COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000015062378 568749021 /nfs/dbraw/zinc/74/90/21/568749021.db2.gz XFXPPJZKEIHVSW-QHCPKHFHSA-N 1 3 412.574 3.943 50 0 HHAAHO CC[NH+]1CCC(NCc2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)CC1 ZINC000012525034 568842698 /nfs/dbraw/zinc/84/26/98/568842698.db2.gz FTNKBNWTKGXAQC-UHFFFAOYSA-N 1 3 419.573 3.802 50 0 HHAAHO COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012713411 962317105 /nfs/dbraw/zinc/31/71/05/962317105.db2.gz SKDABFLQZRSZOX-HXUWFJFHSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012713411 962317114 /nfs/dbraw/zinc/31/71/14/962317114.db2.gz SKDABFLQZRSZOX-HXUWFJFHSA-N 1 3 406.954 3.718 50 0 HHAAHO Cc1cccc([C@@H]2C[C@@H](C(=O)NCCN3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711164 557390417 /nfs/dbraw/zinc/39/04/17/557390417.db2.gz CEZSQVONUKUXAV-DNQXCXABSA-N 1 3 423.576 3.952 50 0 HHAAHO Cc1cccc([C@@H]2C[C@@H](C(=O)NCCN3CCCC3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711164 557390422 /nfs/dbraw/zinc/39/04/22/557390422.db2.gz CEZSQVONUKUXAV-DNQXCXABSA-N 1 3 423.576 3.952 50 0 HHAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011945938 558302139 /nfs/dbraw/zinc/30/21/39/558302139.db2.gz JGOIAWXIRMNAPW-HXUWFJFHSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011945938 558302142 /nfs/dbraw/zinc/30/21/42/558302142.db2.gz JGOIAWXIRMNAPW-HXUWFJFHSA-N 1 3 404.526 3.512 50 0 HHAAHO COCC[N@@H+](Cc1cccc2nonc21)CC1CCN(Cc2ccccc2OC)CC1 ZINC000015075869 558716353 /nfs/dbraw/zinc/71/63/53/558716353.db2.gz VESQZAWFLPMYML-UHFFFAOYSA-N 1 3 424.545 3.592 50 0 HHAAHO COCC[N@H+](Cc1cccc2nonc21)CC1CCN(Cc2ccccc2OC)CC1 ZINC000015075869 558716356 /nfs/dbraw/zinc/71/63/56/558716356.db2.gz VESQZAWFLPMYML-UHFFFAOYSA-N 1 3 424.545 3.592 50 0 HHAAHO Cc1ccccc1CCN1CCC[C@H](C[N@@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183311 558875251 /nfs/dbraw/zinc/87/52/51/558875251.db2.gz QISPJOWAWNJVIT-HSZRJFAPSA-N 1 3 420.601 3.911 50 0 HHAAHO Cc1ccccc1CCN1CCC[C@H](C[N@H+](C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183311 558875253 /nfs/dbraw/zinc/87/52/53/558875253.db2.gz QISPJOWAWNJVIT-HSZRJFAPSA-N 1 3 420.601 3.911 50 0 HHAAHO CCN(Cc1cccc(OCCO)c1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055244914 558877309 /nfs/dbraw/zinc/87/73/09/558877309.db2.gz LCPNDANJCQSZLQ-HSZRJFAPSA-N 1 3 414.565 3.973 50 0 HHAAHO CCN(Cc1cccc(OCCO)c1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000055244914 558877311 /nfs/dbraw/zinc/87/73/11/558877311.db2.gz LCPNDANJCQSZLQ-HSZRJFAPSA-N 1 3 414.565 3.973 50 0 HHAAHO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000055182723 569392597 /nfs/dbraw/zinc/39/25/97/569392597.db2.gz XFTGIUVHKCGTJK-JOCHJYFZSA-N 1 3 410.558 3.868 50 0 HHAAHO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000055182723 569392598 /nfs/dbraw/zinc/39/25/98/569392598.db2.gz XFTGIUVHKCGTJK-JOCHJYFZSA-N 1 3 410.558 3.868 50 0 HHAAHO Cc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CCO ZINC000104552584 969202562 /nfs/dbraw/zinc/20/25/62/969202562.db2.gz UNZKDBYGEMLSCD-AREMUKBSSA-N 1 3 407.602 3.528 50 0 HHAAHO O=C(C1CCN(C2CC[NH+](Cc3cccc4cnccc43)CC2)CC1)N1CCCC1 ZINC000042489216 526303481 /nfs/dbraw/zinc/30/34/81/526303481.db2.gz KHPRRKZXXURWJQ-UHFFFAOYSA-N 1 3 406.574 3.534 50 0 HHAAHO COCC1CCN(Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1 ZINC000011816718 558280160 /nfs/dbraw/zinc/28/01/60/558280160.db2.gz NFGVGRBYNUIFKA-QHCPKHFHSA-N 1 3 404.595 3.549 50 0 HHAAHO COCC1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000011816718 558280163 /nfs/dbraw/zinc/28/01/63/558280163.db2.gz NFGVGRBYNUIFKA-QHCPKHFHSA-N 1 3 404.595 3.549 50 0 HHAAHO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 ZINC000012076203 558319894 /nfs/dbraw/zinc/31/98/94/558319894.db2.gz XJIXUZMUXVQFHE-XMMPIXPASA-N 1 3 408.517 3.987 50 0 HHAAHO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 ZINC000012076203 558319897 /nfs/dbraw/zinc/31/98/97/558319897.db2.gz XJIXUZMUXVQFHE-XMMPIXPASA-N 1 3 408.517 3.987 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012076541 558320083 /nfs/dbraw/zinc/32/00/83/558320083.db2.gz UVBRARIDQWBIDI-OAQYLSRUSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012076541 558320085 /nfs/dbraw/zinc/32/00/85/558320085.db2.gz UVBRARIDQWBIDI-OAQYLSRUSA-N 1 3 404.526 3.512 50 0 HHAAHO CC[NH+]1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212345 558347786 /nfs/dbraw/zinc/34/77/86/558347786.db2.gz RUGMAWYFZRANSR-QFIPXVFZSA-N 1 3 424.555 3.776 50 0 HHAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012443215 558412989 /nfs/dbraw/zinc/41/29/89/558412989.db2.gz FQQSDDHJRBDQDC-OJZQOFKYSA-N 1 3 401.570 3.932 50 0 HHAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012443215 558412990 /nfs/dbraw/zinc/41/29/90/558412990.db2.gz FQQSDDHJRBDQDC-OJZQOFKYSA-N 1 3 401.570 3.932 50 0 HHAAHO CN(C)C[C@@H](O)COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000012752256 558459279 /nfs/dbraw/zinc/45/92/79/558459279.db2.gz UGRASIXFNMMXRR-HSZRJFAPSA-N 1 3 400.538 3.582 50 0 HHAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585309 568866374 /nfs/dbraw/zinc/86/63/74/568866374.db2.gz QRQHFTHLYMULII-FIYNHDKVSA-N 1 3 413.606 3.801 50 0 HHAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585309 568866377 /nfs/dbraw/zinc/86/63/77/568866377.db2.gz QRQHFTHLYMULII-FIYNHDKVSA-N 1 3 413.606 3.801 50 0 HHAAHO COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011661366 962156896 /nfs/dbraw/zinc/15/68/96/962156896.db2.gz KHKCZOZWMQMIMI-QHCPKHFHSA-N 1 3 412.574 3.991 50 0 HHAAHO Cc1cccc([C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711162 557390324 /nfs/dbraw/zinc/39/03/24/557390324.db2.gz CEZSQVONUKUXAV-RPWUZVMVSA-N 1 3 423.576 3.952 50 0 HHAAHO Cc1cccc([C@@H]2C[C@H](C(=O)NCCN3CCCC3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711162 557390326 /nfs/dbraw/zinc/39/03/26/557390326.db2.gz CEZSQVONUKUXAV-RPWUZVMVSA-N 1 3 423.576 3.952 50 0 HHAAHO COc1ccc(CC[N@@H+](Cc2cnc(N(C)C)s2)CC2CCN(C)CC2)cc1 ZINC000012594371 558436933 /nfs/dbraw/zinc/43/69/33/558436933.db2.gz ZQKHPHNNJBPEDM-UHFFFAOYSA-N 1 3 402.608 3.604 50 0 HHAAHO COc1ccc(CC[N@H+](Cc2cnc(N(C)C)s2)CC2CCN(C)CC2)cc1 ZINC000012594371 558436937 /nfs/dbraw/zinc/43/69/37/558436937.db2.gz ZQKHPHNNJBPEDM-UHFFFAOYSA-N 1 3 402.608 3.604 50 0 HHAAHO C[C@@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012718582 558456207 /nfs/dbraw/zinc/45/62/07/558456207.db2.gz UOLHCBJQDWUQDO-INIZCTEOSA-N 1 3 415.500 3.504 50 0 HHAAHO COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011765924 962184149 /nfs/dbraw/zinc/18/41/49/962184149.db2.gz RKJXYMHPWXPUOK-FQEVSTJZSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011765924 962184160 /nfs/dbraw/zinc/18/41/60/962184160.db2.gz RKJXYMHPWXPUOK-FQEVSTJZSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccsc2)C1 ZINC000012582390 962296142 /nfs/dbraw/zinc/29/61/42/962296142.db2.gz UUEVGVGVFXYAFB-IBGZPJMESA-N 1 3 415.603 3.673 50 0 HHAAHO O[C@@H](COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1)CN1CCCCC1 ZINC000020454941 527662543 /nfs/dbraw/zinc/66/25/43/527662543.db2.gz KJMWVTLTNPQBQU-JOCHJYFZSA-N 1 3 402.966 3.898 50 0 HHAAHO c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000011840334 558286428 /nfs/dbraw/zinc/28/64/28/558286428.db2.gz KBWBWPLIROVYAH-XMMPIXPASA-N 1 3 423.605 3.903 50 0 HHAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 ZINC000012074734 558319210 /nfs/dbraw/zinc/31/92/10/558319210.db2.gz QIIBTCDXMXLILI-HSZRJFAPSA-N 1 3 412.574 3.859 50 0 HHAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 ZINC000012074734 558319213 /nfs/dbraw/zinc/31/92/13/558319213.db2.gz QIIBTCDXMXLILI-HSZRJFAPSA-N 1 3 412.574 3.859 50 0 HHAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012764358 558461691 /nfs/dbraw/zinc/46/16/91/558461691.db2.gz LFGJNSLLCFYNRJ-JOCHJYFZSA-N 1 3 416.537 3.658 50 0 HHAAHO COc1ccccc1CCN1CCC[C@@H](C[N@H+](C)Cc2cccn2-c2ncccn2)C1 ZINC000023366645 558552989 /nfs/dbraw/zinc/55/29/89/558552989.db2.gz ZHYYLGPZVGUWDR-NRFANRHFSA-N 1 3 419.573 3.662 50 0 HHAAHO COc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)Cc2cccn2-c2ncccn2)C1 ZINC000023366645 558552991 /nfs/dbraw/zinc/55/29/91/558552991.db2.gz ZHYYLGPZVGUWDR-NRFANRHFSA-N 1 3 419.573 3.662 50 0 HHAAHO O[C@@H](COc1cccc(C[NH2+]Cc2cccs2)c1)CN1CCc2ccccc2C1 ZINC000015065010 558707727 /nfs/dbraw/zinc/70/77/27/558707727.db2.gz ZXVDSILFEFGMLR-JOCHJYFZSA-N 1 3 408.567 3.836 50 0 HHAAHO O=C(CCC1CC[NH+](C2CCSCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000015067751 558710387 /nfs/dbraw/zinc/71/03/87/558710387.db2.gz WXARCCRKFBHKAW-JOCHJYFZSA-N 1 3 415.647 3.765 50 0 HHAAHO O=C(CN1CCCCCC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315396 568826701 /nfs/dbraw/zinc/82/67/01/568826701.db2.gz IDVQHFKAMOZZAE-UHFFFAOYSA-N 1 3 406.574 3.823 50 0 HHAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012744822 568930525 /nfs/dbraw/zinc/93/05/25/568930525.db2.gz POPOTNAWWUZTCB-HSZRJFAPSA-N 1 3 412.574 3.909 50 0 HHAAHO OCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011838255 962201158 /nfs/dbraw/zinc/20/11/58/962201158.db2.gz MZSSBGDOZFSBKF-DEOSSOPVSA-N 1 3 424.585 3.632 50 0 HHAAHO CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011874190 962204256 /nfs/dbraw/zinc/20/42/56/962204256.db2.gz AXQVFRGGNKBKRR-QHCPKHFHSA-N 1 3 414.569 3.935 50 0 HHAAHO CCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011874190 962204269 /nfs/dbraw/zinc/20/42/69/962204269.db2.gz AXQVFRGGNKBKRR-QHCPKHFHSA-N 1 3 414.569 3.935 50 0 HHAAHO CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011874191 962204961 /nfs/dbraw/zinc/20/49/61/962204961.db2.gz AXQVFRGGNKBKRR-HSZRJFAPSA-N 1 3 414.569 3.935 50 0 HHAAHO CCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011874191 962204973 /nfs/dbraw/zinc/20/49/73/962204973.db2.gz AXQVFRGGNKBKRR-HSZRJFAPSA-N 1 3 414.569 3.935 50 0 HHAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000012458774 962284353 /nfs/dbraw/zinc/28/43/53/962284353.db2.gz STHSWXSNKDMFNY-HXUWFJFHSA-N 1 3 404.526 3.514 50 0 HHAAHO CN1CCC([N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000020540193 523767578 /nfs/dbraw/zinc/76/75/78/523767578.db2.gz UUNYSQSATRMLON-QHCPKHFHSA-N 1 3 403.586 3.613 50 0 HHAAHO CN1CCC([N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000020540193 523767584 /nfs/dbraw/zinc/76/75/84/523767584.db2.gz UUNYSQSATRMLON-QHCPKHFHSA-N 1 3 403.586 3.613 50 0 HHAAHO O=C([C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541706 526537147 /nfs/dbraw/zinc/53/71/47/526537147.db2.gz IOCXSNIZVMPXIC-QHCPKHFHSA-N 1 3 409.618 3.733 50 0 HHAAHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 ZINC000011817139 558280440 /nfs/dbraw/zinc/28/04/40/558280440.db2.gz RIPMJQGFORJIGI-JOCHJYFZSA-N 1 3 403.586 3.659 50 0 HHAAHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 ZINC000011817139 558280441 /nfs/dbraw/zinc/28/04/41/558280441.db2.gz RIPMJQGFORJIGI-JOCHJYFZSA-N 1 3 403.586 3.659 50 0 HHAAHO COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012056940 558316115 /nfs/dbraw/zinc/31/61/15/558316115.db2.gz QRPWIRVIBQAOGJ-QHCPKHFHSA-N 1 3 424.585 3.845 50 0 HHAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 ZINC000012074737 558319164 /nfs/dbraw/zinc/31/91/64/558319164.db2.gz QIIBTCDXMXLILI-QHCPKHFHSA-N 1 3 412.574 3.859 50 0 HHAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 ZINC000012074737 558319166 /nfs/dbraw/zinc/31/91/66/558319166.db2.gz QIIBTCDXMXLILI-QHCPKHFHSA-N 1 3 412.574 3.859 50 0 HHAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012443212 558412964 /nfs/dbraw/zinc/41/29/64/558412964.db2.gz FQQSDDHJRBDQDC-UUCGHWEQSA-N 1 3 401.570 3.932 50 0 HHAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012443212 558412966 /nfs/dbraw/zinc/41/29/66/558412966.db2.gz FQQSDDHJRBDQDC-UUCGHWEQSA-N 1 3 401.570 3.932 50 0 HHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969245 558686862 /nfs/dbraw/zinc/68/68/62/558686862.db2.gz BVOGBQUZTUVJLX-SGWGQVFISA-N 1 3 413.537 3.734 50 0 HHAAHO C[N@H+](C[C@@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 ZINC000014975364 558689080 /nfs/dbraw/zinc/68/90/80/558689080.db2.gz GDRYLGHEUJHSGX-HSZRJFAPSA-N 1 3 412.574 3.859 50 0 HHAAHO C[N@@H+](C[C@@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 ZINC000014975364 558689083 /nfs/dbraw/zinc/68/90/83/558689083.db2.gz GDRYLGHEUJHSGX-HSZRJFAPSA-N 1 3 412.574 3.859 50 0 HHAAHO OCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011838256 962201384 /nfs/dbraw/zinc/20/13/84/962201384.db2.gz MZSSBGDOZFSBKF-XMMPIXPASA-N 1 3 424.585 3.632 50 0 HHAAHO CCC[NH+]1CCC(N2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973858 962614449 /nfs/dbraw/zinc/61/44/49/962614449.db2.gz BWZKDSSDGKLBLY-XMMPIXPASA-N 1 3 402.579 3.975 50 0 HHAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000012474517 558422579 /nfs/dbraw/zinc/42/25/79/558422579.db2.gz XJDQTFRULAGXTM-UHFFFAOYSA-N 1 3 401.595 3.678 50 0 HHAAHO CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000015061517 558704778 /nfs/dbraw/zinc/70/47/78/558704778.db2.gz MHFWVJQEXHEIIO-IBGZPJMESA-N 1 3 419.997 3.902 50 0 HHAAHO O=C(NCc1ccccn1)[C@H]1CCCN(C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000082108167 559038627 /nfs/dbraw/zinc/03/86/27/559038627.db2.gz HVAVMBBOKONSHE-QFIPXVFZSA-N 1 3 412.622 3.845 50 0 HHAAHO CCn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000014955642 568474327 /nfs/dbraw/zinc/47/43/27/568474327.db2.gz OJMWEXKMZSBYKU-SANMLTNESA-N 1 3 422.617 3.763 50 0 HHAAHO COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011765933 962183886 /nfs/dbraw/zinc/18/38/86/962183886.db2.gz RKJXYMHPWXPUOK-HXUWFJFHSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011765933 962183897 /nfs/dbraw/zinc/18/38/97/962183897.db2.gz RKJXYMHPWXPUOK-HXUWFJFHSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011817823 962198108 /nfs/dbraw/zinc/19/81/08/962198108.db2.gz NIXBEORJQDKTRN-HSZRJFAPSA-N 1 3 412.574 3.861 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c2)cc1 ZINC000012571305 962293592 /nfs/dbraw/zinc/29/35/92/962293592.db2.gz FOCDSYQEIKKVDU-HSZRJFAPSA-N 1 3 414.590 3.971 50 0 HHAAHO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccsc2)C1 ZINC000012582383 962296014 /nfs/dbraw/zinc/29/60/14/962296014.db2.gz UUEVGVGVFXYAFB-LJQANCHMSA-N 1 3 415.603 3.673 50 0 HHAAHO O[C@H](COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)CN1CCc2ccccc2C1 ZINC000012702264 962314609 /nfs/dbraw/zinc/31/46/09/962314609.db2.gz BILKMLFBRLYXNU-DEOSSOPVSA-N 1 3 406.570 3.763 50 0 HHAAHO COc1cc(CNCc2cccc(F)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000015063040 962645390 /nfs/dbraw/zinc/64/53/90/962645390.db2.gz JJJBDWRRDLIKSF-JOCHJYFZSA-N 1 3 416.537 3.740 50 0 HHAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3cccnc3)C[C@H]3CCCO3)CC1)C2 ZINC000011938287 558301807 /nfs/dbraw/zinc/30/18/07/558301807.db2.gz RNYWXEXKIMCPHW-AREMUKBSSA-N 1 3 405.586 3.942 50 0 HHAAHO CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000012056922 558316193 /nfs/dbraw/zinc/31/61/93/558316193.db2.gz OUXACKJYKVAILL-QFIPXVFZSA-N 1 3 403.586 3.661 50 0 HHAAHO C[N@@H+](Cc1ccc(OCCO)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012298812 558368755 /nfs/dbraw/zinc/36/87/55/558368755.db2.gz ZTIZTEFORDRNPZ-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO C[N@H+](Cc1ccc(OCCO)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012298812 558368758 /nfs/dbraw/zinc/36/87/58/558368758.db2.gz ZTIZTEFORDRNPZ-UHFFFAOYSA-N 1 3 400.538 3.583 50 0 HHAAHO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755065 558459929 /nfs/dbraw/zinc/45/99/29/558459929.db2.gz VAZLHZAFMINZAC-QHCPKHFHSA-N 1 3 409.574 3.705 50 0 HHAAHO O=C(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012755065 558459931 /nfs/dbraw/zinc/45/99/31/558459931.db2.gz VAZLHZAFMINZAC-QHCPKHFHSA-N 1 3 409.574 3.705 50 0 HHAAHO CCN(Cc1cc2c(cc1Cl)OCO2)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000019334850 558869715 /nfs/dbraw/zinc/86/97/15/558869715.db2.gz BZMQZDIEOLKOIP-UHFFFAOYSA-N 1 3 407.986 3.697 50 0 HHAAHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)c1 ZINC000058018624 558895668 /nfs/dbraw/zinc/89/56/68/558895668.db2.gz MUSDWFRQJXKIFG-XMMPIXPASA-N 1 3 414.638 3.524 50 0 HHAAHO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000055182722 569392688 /nfs/dbraw/zinc/39/26/88/569392688.db2.gz XFTGIUVHKCGTJK-QFIPXVFZSA-N 1 3 410.558 3.868 50 0 HHAAHO COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000055182722 569392689 /nfs/dbraw/zinc/39/26/89/569392689.db2.gz XFTGIUVHKCGTJK-QFIPXVFZSA-N 1 3 410.558 3.868 50 0 HHAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012717002 962320175 /nfs/dbraw/zinc/32/01/75/962320175.db2.gz FSHANVCYOABKDC-HXUWFJFHSA-N 1 3 423.548 3.881 50 0 HHAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012717002 962320192 /nfs/dbraw/zinc/32/01/92/962320192.db2.gz FSHANVCYOABKDC-HXUWFJFHSA-N 1 3 423.548 3.881 50 0 HHAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2cccc(Cl)c2)cc1OC ZINC000011771520 558274390 /nfs/dbraw/zinc/27/43/90/558274390.db2.gz LCJLWOSWJQKFON-FQEVSTJZSA-N 1 3 406.954 3.720 50 0 HHAAHO O[C@@H](COc1ccc(C[NH2+]CCn2ccc3ccccc32)cc1)CN1CCCCC1 ZINC000011818504 558281854 /nfs/dbraw/zinc/28/18/54/558281854.db2.gz VTQVETSCBYWVKX-HSZRJFAPSA-N 1 3 407.558 3.657 50 0 HHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011996959 558306895 /nfs/dbraw/zinc/30/68/95/558306895.db2.gz NDGZXZRUORZAKD-HXUWFJFHSA-N 1 3 401.570 3.928 50 0 HHAAHO CCOC(=O)c1c(NC(=O)C[NH2+]C2CCCC2)sc2c1CC(C)(C)NC2(C)C ZINC000003339730 568855442 /nfs/dbraw/zinc/85/54/42/568855442.db2.gz GBJGDCANTOHBAS-UHFFFAOYSA-N 1 3 407.580 3.555 50 0 HHAAHO COCC[NH+]1CCC2(CC1)CN(Cc1ccc(OC)c(C)c1)Cc1ccccc1O2 ZINC000257193983 970625063 /nfs/dbraw/zinc/62/50/63/970625063.db2.gz SHWZBLZKZYMYOH-UHFFFAOYSA-N 1 3 410.558 3.879 50 0 HHAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000011661548 558265311 /nfs/dbraw/zinc/26/53/11/558265311.db2.gz XRNAHZNBWBPOTC-UHFFFAOYSA-N 1 3 407.986 3.665 50 0 HHAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3cccnc3)C[C@@H]3CCCO3)CC1)C2 ZINC000011938288 558301828 /nfs/dbraw/zinc/30/18/28/558301828.db2.gz RNYWXEXKIMCPHW-SANMLTNESA-N 1 3 405.586 3.942 50 0 HHAAHO CCN(CC)CC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012209443 558353763 /nfs/dbraw/zinc/35/37/63/558353763.db2.gz XANGEHRZIVVDRD-QFIPXVFZSA-N 1 3 400.611 3.797 50 0 HHAAHO CCN(CC)CC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012209443 558353764 /nfs/dbraw/zinc/35/37/64/558353764.db2.gz XANGEHRZIVVDRD-QFIPXVFZSA-N 1 3 400.611 3.797 50 0 HHAAHO c1cncc(CN2CCC(Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)c1 ZINC000097037562 559023751 /nfs/dbraw/zinc/02/37/51/559023751.db2.gz CGWUVCRFTIHSIR-UHFFFAOYSA-N 1 3 405.590 3.690 50 0 HHAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000011956299 559269243 /nfs/dbraw/zinc/26/92/43/559269243.db2.gz FBRJMWFDUKZIJT-VWLOTQADSA-N 1 3 404.554 3.891 50 0 HHAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC ZINC000012202034 962251854 /nfs/dbraw/zinc/25/18/54/962251854.db2.gz XOVWOFCEVCULRZ-QFIPXVFZSA-N 1 3 400.563 3.717 50 0 HHAAHO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011933425 558298177 /nfs/dbraw/zinc/29/81/77/558298177.db2.gz IEDREFAFVXETGR-QHCPKHFHSA-N 1 3 412.574 3.595 50 0 HHAAHO COc1ccc(C[N@@H+](C)CCc2ccccc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011933425 558298182 /nfs/dbraw/zinc/29/81/82/558298182.db2.gz IEDREFAFVXETGR-QHCPKHFHSA-N 1 3 412.574 3.595 50 0 HHAAHO C[C@@H](CC1CC1)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012592987 558436431 /nfs/dbraw/zinc/43/64/31/558436431.db2.gz BXVLMHFZWWYKTP-INIZCTEOSA-N 1 3 407.986 3.663 50 0 HHAAHO Cc1[nH]ccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095496811 559081582 /nfs/dbraw/zinc/08/15/82/559081582.db2.gz TZCPLURRPIHZTG-NRFANRHFSA-N 1 3 400.611 3.906 50 0 HHAAHO Cc1[nH]ccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095496811 559081583 /nfs/dbraw/zinc/08/15/83/559081583.db2.gz TZCPLURRPIHZTG-NRFANRHFSA-N 1 3 400.611 3.906 50 0 HHAAHO CN(CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011934540 559268732 /nfs/dbraw/zinc/26/87/32/559268732.db2.gz LTWNDJXSVFBICG-DEOSSOPVSA-N 1 3 418.622 3.939 50 0 HHAAHO CN(CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011934540 559268733 /nfs/dbraw/zinc/26/87/33/559268733.db2.gz LTWNDJXSVFBICG-DEOSSOPVSA-N 1 3 418.622 3.939 50 0 HHAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012744818 568930332 /nfs/dbraw/zinc/93/03/32/568930332.db2.gz POPOTNAWWUZTCB-QHCPKHFHSA-N 1 3 412.574 3.909 50 0 HHAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012203805 558351925 /nfs/dbraw/zinc/35/19/25/558351925.db2.gz ZTJGEFFPYJNTPI-IBGZPJMESA-N 1 3 404.576 3.581 50 0 HHAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012205502 558352538 /nfs/dbraw/zinc/35/25/38/558352538.db2.gz CWFHFTDBRIDEGQ-NRFANRHFSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012205502 558352540 /nfs/dbraw/zinc/35/25/40/558352540.db2.gz CWFHFTDBRIDEGQ-NRFANRHFSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cnc(N(C)C)s2)CC1 ZINC000012439907 558411305 /nfs/dbraw/zinc/41/13/05/558411305.db2.gz IUVINFQFFQKUNK-UHFFFAOYSA-N 1 3 402.608 3.604 50 0 HHAAHO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 ZINC000012572628 558429752 /nfs/dbraw/zinc/42/97/52/558429752.db2.gz CUUJOQNPEPKGBP-OAQYLSRUSA-N 1 3 406.014 3.929 50 0 HHAAHO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 ZINC000012572628 558429753 /nfs/dbraw/zinc/42/97/53/558429753.db2.gz CUUJOQNPEPKGBP-OAQYLSRUSA-N 1 3 406.014 3.929 50 0 HHAAHO COCC[N@@H+](Cc1cccc2c1OCO2)CC1CCN(Cc2ccccc2F)CC1 ZINC000012701463 558447610 /nfs/dbraw/zinc/44/76/10/558447610.db2.gz VUKRSZQSAQLSCY-UHFFFAOYSA-N 1 3 414.521 3.915 50 0 HHAAHO COCC[N@H+](Cc1cccc2c1OCO2)CC1CCN(Cc2ccccc2F)CC1 ZINC000012701463 558447613 /nfs/dbraw/zinc/44/76/13/558447613.db2.gz VUKRSZQSAQLSCY-UHFFFAOYSA-N 1 3 414.521 3.915 50 0 HHAAHO CN(C)[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC000012758340 558460313 /nfs/dbraw/zinc/46/03/13/558460313.db2.gz MPPWLMJTSPLRDJ-HSZRJFAPSA-N 1 3 421.585 3.549 50 0 HHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)o1 ZINC000019340459 558871404 /nfs/dbraw/zinc/87/14/04/558871404.db2.gz QRGCTMZONTZVTL-UHFFFAOYSA-N 1 3 422.573 3.730 50 0 HHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)o1 ZINC000019340459 558871407 /nfs/dbraw/zinc/87/14/07/558871407.db2.gz QRGCTMZONTZVTL-UHFFFAOYSA-N 1 3 422.573 3.730 50 0 HHAAHO Cc1[nH]ccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095496810 559081562 /nfs/dbraw/zinc/08/15/62/559081562.db2.gz TZCPLURRPIHZTG-OAQYLSRUSA-N 1 3 400.611 3.906 50 0 HHAAHO Cc1[nH]ccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095496810 559081563 /nfs/dbraw/zinc/08/15/63/559081563.db2.gz TZCPLURRPIHZTG-OAQYLSRUSA-N 1 3 400.611 3.906 50 0 HHAAHO COCCN(Cc1ccc(COC)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012458190 962284748 /nfs/dbraw/zinc/28/47/48/962284748.db2.gz FMCPURNUCXZLBH-UHFFFAOYSA-N 1 3 416.562 3.795 50 0 HHAAHO COCC[N@@H+](Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012458190 962284762 /nfs/dbraw/zinc/28/47/62/962284762.db2.gz FMCPURNUCXZLBH-UHFFFAOYSA-N 1 3 416.562 3.795 50 0 HHAAHO COCC[N@H+](Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012458190 962284775 /nfs/dbraw/zinc/28/47/75/962284775.db2.gz FMCPURNUCXZLBH-UHFFFAOYSA-N 1 3 416.562 3.795 50 0 HHAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000012755373 962324300 /nfs/dbraw/zinc/32/43/00/962324300.db2.gz MESXQNNJHQLMGC-QHCPKHFHSA-N 1 3 415.622 3.734 50 0 HHAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000012755373 962324314 /nfs/dbraw/zinc/32/43/14/962324314.db2.gz MESXQNNJHQLMGC-QHCPKHFHSA-N 1 3 415.622 3.734 50 0 HHAAHO c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000011840332 558286397 /nfs/dbraw/zinc/28/63/97/558286397.db2.gz KBWBWPLIROVYAH-DEOSSOPVSA-N 1 3 423.605 3.903 50 0 HHAAHO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000011998426 558307452 /nfs/dbraw/zinc/30/74/52/558307452.db2.gz CKUCZFQGCUHIKI-HSZRJFAPSA-N 1 3 412.574 3.562 50 0 HHAAHO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]C2CCN(C(C)C)CC2)C[C@@]1(C)CO ZINC000012467345 558420750 /nfs/dbraw/zinc/42/07/50/558420750.db2.gz ZPLXTCVQMDNBPM-OIBXWCBGSA-N 1 3 408.030 3.936 50 0 HHAAHO CCCC[N@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000023312395 558548880 /nfs/dbraw/zinc/54/88/80/558548880.db2.gz YJXDTWKPCHZIJI-UHFFFAOYSA-N 1 3 411.594 3.657 50 0 HHAAHO CCCC[N@@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000023312395 558548882 /nfs/dbraw/zinc/54/88/82/558548882.db2.gz YJXDTWKPCHZIJI-UHFFFAOYSA-N 1 3 411.594 3.657 50 0 HHAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585317 568866213 /nfs/dbraw/zinc/86/62/13/568866213.db2.gz QRQHFTHLYMULII-DOHLAZSCSA-N 1 3 413.606 3.801 50 0 HHAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 ZINC000012585317 568866215 /nfs/dbraw/zinc/86/62/15/568866215.db2.gz QRQHFTHLYMULII-DOHLAZSCSA-N 1 3 413.606 3.801 50 0 HHAAHO O[C@H](COc1ccccc1C[NH2+]C(C1CC1)C1CC1)CN1CCc2ccccc2C1 ZINC000012387156 962273966 /nfs/dbraw/zinc/27/39/66/962273966.db2.gz UACQWMSMVCHSEV-DEOSSOPVSA-N 1 3 406.570 3.763 50 0 HHAAHO C[C@@H](CC1(C)CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012704995 962314752 /nfs/dbraw/zinc/31/47/52/962314752.db2.gz NJGZXEODDWLLPA-IBGZPJMESA-N 1 3 401.595 3.742 50 0 HHAAHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)CC1 ZINC000012111803 558326047 /nfs/dbraw/zinc/32/60/47/558326047.db2.gz ZJHUMQXIALRMAY-HXUWFJFHSA-N 1 3 403.586 3.659 50 0 HHAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 ZINC000014969241 558686939 /nfs/dbraw/zinc/68/69/39/558686939.db2.gz BVOGBQUZTUVJLX-YVNCXZRQSA-N 1 3 413.537 3.734 50 0 HHAAHO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 ZINC000055198260 558875784 /nfs/dbraw/zinc/87/57/84/558875784.db2.gz ZYHOVYWBQNQLDE-UHFFFAOYSA-N 1 3 421.994 3.736 50 0 HHAAHO CCCC[NH2+]Cc1cccn1-c1nnc(N2CCN(C3CCCCC3)CC2)s1 ZINC000007002047 569051754 /nfs/dbraw/zinc/05/17/54/569051754.db2.gz XQGYUJRULMWZSE-UHFFFAOYSA-N 1 3 402.612 3.673 50 0 HHAAHO O=C(NCCN1CCCC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547286 569305807 /nfs/dbraw/zinc/30/58/07/569305807.db2.gz QMEBWXRRGMYDPW-UHFFFAOYSA-N 1 3 405.586 3.967 50 0 HHAAHO COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011817822 962197804 /nfs/dbraw/zinc/19/78/04/962197804.db2.gz NIXBEORJQDKTRN-QHCPKHFHSA-N 1 3 412.574 3.861 50 0 HHAAHO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 ZINC000011843833 962202268 /nfs/dbraw/zinc/20/22/68/962202268.db2.gz IKOTXIRIHNDITM-QHCPKHFHSA-N 1 3 415.622 3.674 50 0 HHAAHO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 ZINC000011843833 962202288 /nfs/dbraw/zinc/20/22/88/962202288.db2.gz IKOTXIRIHNDITM-QHCPKHFHSA-N 1 3 415.622 3.674 50 0 HHAAHO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000012244295 962257268 /nfs/dbraw/zinc/25/72/68/962257268.db2.gz XQAWXXOXHMWXDQ-GOSISDBHSA-N 1 3 411.512 3.657 50 0 HHAAHO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000012244295 962257285 /nfs/dbraw/zinc/25/72/85/962257285.db2.gz XQAWXXOXHMWXDQ-GOSISDBHSA-N 1 3 411.512 3.657 50 0 HHAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC ZINC000012458775 962284801 /nfs/dbraw/zinc/28/48/01/962284801.db2.gz STHSWXSNKDMFNY-FQEVSTJZSA-N 1 3 404.526 3.514 50 0 HHAAHO CC[NH+](CC)CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000014963412 558684743 /nfs/dbraw/zinc/68/47/43/558684743.db2.gz YOHPWWLXAJMRAO-UHFFFAOYSA-N 1 3 423.601 3.844 50 0 HHAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(Cl)cc1 ZINC000015068418 558710839 /nfs/dbraw/zinc/71/08/39/558710839.db2.gz QJTZZIJFJZKXIK-QFIPXVFZSA-N 1 3 422.013 3.625 50 0 HHAAHO Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499037 559081886 /nfs/dbraw/zinc/08/18/86/559081886.db2.gz VSFHVPXWODAIKA-NRFANRHFSA-N 1 3 400.611 3.608 50 0 HHAAHO Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095499037 559081888 /nfs/dbraw/zinc/08/18/88/559081888.db2.gz VSFHVPXWODAIKA-NRFANRHFSA-N 1 3 400.611 3.608 50 0 HHAAHO COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011661365 962157106 /nfs/dbraw/zinc/15/71/06/962157106.db2.gz KHKCZOZWMQMIMI-HSZRJFAPSA-N 1 3 412.574 3.991 50 0 HHAAHO CSc1cccc(CNCc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)c1 ZINC000012710862 962315767 /nfs/dbraw/zinc/31/57/67/962315767.db2.gz FLMXCATVUWTSNY-NRFANRHFSA-N 1 3 400.588 3.924 50 0 HHAAHO COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012713404 962317544 /nfs/dbraw/zinc/31/75/44/962317544.db2.gz SKDABFLQZRSZOX-FQEVSTJZSA-N 1 3 406.954 3.718 50 0 HHAAHO COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012713404 962317565 /nfs/dbraw/zinc/31/75/65/962317565.db2.gz SKDABFLQZRSZOX-FQEVSTJZSA-N 1 3 406.954 3.718 50 0 HHAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 ZINC000011952608 558303056 /nfs/dbraw/zinc/30/30/56/558303056.db2.gz GWBJUOKDXOHPCE-IBGZPJMESA-N 1 3 415.528 3.881 50 0 HHAAHO COc1ccc(C[NH2+]C2CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012055356 558315575 /nfs/dbraw/zinc/31/55/75/558315575.db2.gz NRXLYAYUOABZBJ-HSZRJFAPSA-N 1 3 412.574 3.989 50 0 HHAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2cc(F)ccc2C)ccc1OC ZINC000012111740 558326078 /nfs/dbraw/zinc/32/60/78/558326078.db2.gz OPKHHKIIBUOGNU-OAQYLSRUSA-N 1 3 404.526 3.514 50 0 HHAAHO CCN(CC)CC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012209437 558353753 /nfs/dbraw/zinc/35/37/53/558353753.db2.gz XANGEHRZIVVDRD-JOCHJYFZSA-N 1 3 400.611 3.797 50 0 HHAAHO CCN(CC)CC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012209437 558353755 /nfs/dbraw/zinc/35/37/55/558353755.db2.gz XANGEHRZIVVDRD-JOCHJYFZSA-N 1 3 400.611 3.797 50 0 HHAAHO CCN(CC)Cc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039500579 558821726 /nfs/dbraw/zinc/82/17/26/558821726.db2.gz VKLIRTDFXHTEOX-XMMPIXPASA-N 1 3 417.638 3.738 50 0 HHAAHO CCN(CC)Cc1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039500579 558821727 /nfs/dbraw/zinc/82/17/27/558821727.db2.gz VKLIRTDFXHTEOX-XMMPIXPASA-N 1 3 417.638 3.738 50 0 HHAAHO COCCN(C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1)C(C)C ZINC000019218615 558851225 /nfs/dbraw/zinc/85/12/25/558851225.db2.gz ICYNQZHFYGXVJM-UHFFFAOYSA-N 1 3 415.622 3.555 50 0 HHAAHO O=C(NCc1ccccn1)[C@@H]1CCCN(C2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000082108166 559038673 /nfs/dbraw/zinc/03/86/73/559038673.db2.gz HVAVMBBOKONSHE-JOCHJYFZSA-N 1 3 412.622 3.845 50 0 HHAAHO COc1cc(C[NH2+]CCc2cccc(Cl)c2)ccc1OC[C@H](O)CN1CCCC1 ZINC000015078101 568750058 /nfs/dbraw/zinc/75/00/58/568750058.db2.gz QMTWSANKOHZGCJ-OAQYLSRUSA-N 1 3 418.965 3.516 50 0 HHAAHO CCc1ccc(CN(C)Cc2ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c2)cc1 ZINC000012571310 962292953 /nfs/dbraw/zinc/29/29/53/962292953.db2.gz FOCDSYQEIKKVDU-QHCPKHFHSA-N 1 3 414.590 3.971 50 0 HHAAHO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000015073156 962649849 /nfs/dbraw/zinc/64/98/49/962649849.db2.gz LXEOPTDOYOBJPK-DHZHZOJOSA-N 1 3 421.585 3.877 50 0 HHAAHO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000019222364 963357695 /nfs/dbraw/zinc/35/76/95/963357695.db2.gz UOOKEUKXPMFVSC-AREMUKBSSA-N 1 3 413.650 3.766 50 0 HHAAHO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000019222364 963357702 /nfs/dbraw/zinc/35/77/02/963357702.db2.gz UOOKEUKXPMFVSC-AREMUKBSSA-N 1 3 413.650 3.766 50 0 HHAAHO CN(C)C[C@H](O)COc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000012752262 558459252 /nfs/dbraw/zinc/45/92/52/558459252.db2.gz UGRASIXFNMMXRR-QHCPKHFHSA-N 1 3 400.538 3.582 50 0 HHAAHO Fc1cccc(Cl)c1Cn1nc(CNCC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000261492026 568820474 /nfs/dbraw/zinc/82/04/74/568820474.db2.gz PYCIWDPQTWPFGJ-UHFFFAOYSA-N 1 3 413.928 3.875 50 0 HHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(Sc4nncn4C)o3)CC2)o1 ZINC000012704510 558449233 /nfs/dbraw/zinc/44/92/33/558449233.db2.gz RRGKHEBQSOEDAJ-UHFFFAOYSA-N 1 3 415.563 3.805 50 0 HHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(Sc4nncn4C)o3)CC2)o1 ZINC000012704510 558449237 /nfs/dbraw/zinc/44/92/37/558449237.db2.gz RRGKHEBQSOEDAJ-UHFFFAOYSA-N 1 3 415.563 3.805 50 0 HHAAHO CN(CCC1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011934541 559268744 /nfs/dbraw/zinc/26/87/44/559268744.db2.gz LTWNDJXSVFBICG-XMMPIXPASA-N 1 3 418.622 3.939 50 0 HHAAHO CN(CCC1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011934541 559268745 /nfs/dbraw/zinc/26/87/45/559268745.db2.gz LTWNDJXSVFBICG-XMMPIXPASA-N 1 3 418.622 3.939 50 0 HHAAHO Cc1ccc2c(c1)CN(CCC(=O)NCC1CC[NH+](C3CCCC3)CC1)C[C@@H](C)O2 ZINC000011788670 962190756 /nfs/dbraw/zinc/19/07/56/962190756.db2.gz KLDQRNZVWFVSJI-HXUWFJFHSA-N 1 3 413.606 3.739 50 0 HHAAHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000012244294 962257935 /nfs/dbraw/zinc/25/79/35/962257935.db2.gz XQAWXXOXHMWXDQ-SFHVURJKSA-N 1 3 411.512 3.657 50 0 HHAAHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000012244294 962257942 /nfs/dbraw/zinc/25/79/42/962257942.db2.gz XQAWXXOXHMWXDQ-SFHVURJKSA-N 1 3 411.512 3.657 50 0 HHAAHO CCC[NH+]1CCC(N2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973854 962614983 /nfs/dbraw/zinc/61/49/83/962614983.db2.gz BWZKDSSDGKLBLY-DEOSSOPVSA-N 1 3 402.579 3.975 50 0 HHAAHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)c1 ZINC000058018627 558895662 /nfs/dbraw/zinc/89/56/62/558895662.db2.gz MUSDWFRQJXKIFG-DEOSSOPVSA-N 1 3 414.638 3.524 50 0 HHAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccc(CO)o2)C[C@H]2CCCO2)CC1 ZINC000011763086 962182204 /nfs/dbraw/zinc/18/22/04/962182204.db2.gz RGIQHRNOPIOYFM-HSZRJFAPSA-N 1 3 412.574 3.974 50 0 HHAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2cccc(Cl)c2)cc1OC ZINC000011771524 558274586 /nfs/dbraw/zinc/27/45/86/558274586.db2.gz LCJLWOSWJQKFON-HXUWFJFHSA-N 1 3 406.954 3.720 50 0 HHAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011945931 558302199 /nfs/dbraw/zinc/30/21/99/558302199.db2.gz JGOIAWXIRMNAPW-FQEVSTJZSA-N 1 3 404.526 3.512 50 0 HHAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011945931 558302201 /nfs/dbraw/zinc/30/22/01/558302201.db2.gz JGOIAWXIRMNAPW-FQEVSTJZSA-N 1 3 404.526 3.512 50 0 HHAAHO Cc1ccc([C@@H](C)CC[NH+]2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000011996739 558306876 /nfs/dbraw/zinc/30/68/76/558306876.db2.gz ZQFJJVSAEIOORJ-IBGZPJMESA-N 1 3 401.595 3.880 50 0 HHAAHO O=C(NCCN1CCCC1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012385290 558394228 /nfs/dbraw/zinc/39/42/28/558394228.db2.gz ROAIOLONBUWJNX-UHFFFAOYSA-N 1 3 419.997 3.951 50 0 HHAAHO COc1ccc(C(=O)NCCN(C)C)cc1OC1CC[NH+](C2CCCCCC2)CC1 ZINC000015075537 558716156 /nfs/dbraw/zinc/71/61/56/558716156.db2.gz WIXYBTZCGNTTHO-UHFFFAOYSA-N 1 3 417.594 3.553 50 0 HHAAHO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(SCCN3CCCCC3)nc2)C1 ZINC000033274479 558764128 /nfs/dbraw/zinc/76/41/28/558764128.db2.gz YTCGALHGNPTHCB-IBGZPJMESA-N 1 3 404.624 3.511 50 0 HHAAHO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(SCCN3CCCCC3)nc2)C1 ZINC000033274479 558764130 /nfs/dbraw/zinc/76/41/30/558764130.db2.gz YTCGALHGNPTHCB-IBGZPJMESA-N 1 3 404.624 3.511 50 0 HHAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095505845 559083145 /nfs/dbraw/zinc/08/31/45/559083145.db2.gz KFLNTHHBPLROGZ-NRFANRHFSA-N 1 3 402.579 3.829 50 0 HHAAHO