smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)CC1CC1 ZINC000011842102 558287503 /nfs/dbraw/zinc/28/75/03/558287503.db2.gz ZLJVLUGZSLBOQG-NRFANRHFSA-N 2 1 406.567 2.514 50 0 HFAAMP CN1CC[NH+](CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020201705 558345922 /nfs/dbraw/zinc/34/59/22/558345922.db2.gz QJJIOAMLTLQHFU-DEOSSOPVSA-N 2 1 404.643 2.909 50 0 HFAAMP C[NH+]1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000020201705 558345926 /nfs/dbraw/zinc/34/59/26/558345926.db2.gz QJJIOAMLTLQHFU-DEOSSOPVSA-N 2 1 404.643 2.909 50 0 HFAAMP C[NH+]1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020201705 558345929 /nfs/dbraw/zinc/34/59/29/558345929.db2.gz QJJIOAMLTLQHFU-DEOSSOPVSA-N 2 1 404.643 2.909 50 0 HFAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351649 558356556 /nfs/dbraw/zinc/35/65/56/558356556.db2.gz XUQGBLOZXXSHBD-OAQYLSRUSA-N 2 1 401.551 2.597 50 0 HFAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)C2CCCCC2)c1 ZINC000012455582 558417066 /nfs/dbraw/zinc/41/70/66/558417066.db2.gz RTEWLXLGZFCDIX-NRFANRHFSA-N 2 1 406.567 2.656 50 0 HFAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012703784 558448698 /nfs/dbraw/zinc/44/86/98/558448698.db2.gz XMHZYXMQUOVASF-OAQYLSRUSA-N 2 1 402.535 2.645 50 0 HFAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012703784 558448700 /nfs/dbraw/zinc/44/87/00/558448700.db2.gz XMHZYXMQUOVASF-OAQYLSRUSA-N 2 1 402.535 2.645 50 0 HFAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012703784 558448704 /nfs/dbraw/zinc/44/87/04/558448704.db2.gz XMHZYXMQUOVASF-OAQYLSRUSA-N 2 1 402.535 2.645 50 0 HFAAMP C[N@@H+](CCn1cccn1)Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O ZINC000014958283 558683140 /nfs/dbraw/zinc/68/31/40/558683140.db2.gz YVDOSCVOUUCIMS-UHFFFAOYSA-N 2 1 411.525 2.955 50 0 HFAAMP COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014958889 558683457 /nfs/dbraw/zinc/68/34/57/558683457.db2.gz UETVXOQMVBJBPI-HXUWFJFHSA-N 2 1 402.535 2.944 50 0 HFAAMP Cc1ccc2[nH+]c(Cn3nc(C4CC[NH2+]CC4)n(Cc4ccccc4)c3=O)cn2c1 ZINC000071776265 558911789 /nfs/dbraw/zinc/91/17/89/558911789.db2.gz ORHJCCJWNGFHNF-UHFFFAOYSA-N 2 1 402.502 2.565 50 0 HFAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164303 558998314 /nfs/dbraw/zinc/99/83/14/558998314.db2.gz JIEGBNLZBMECOC-MSOLQXFVSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164303 558998316 /nfs/dbraw/zinc/99/83/16/558998316.db2.gz JIEGBNLZBMECOC-MSOLQXFVSA-N 2 1 418.607 2.682 50 0 HFAAMP O=C(NCc1ccncn1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082127380 559039853 /nfs/dbraw/zinc/03/98/53/559039853.db2.gz CEUKSRSKPYBDNA-NRFANRHFSA-N 2 1 407.562 2.512 50 0 HFAAMP O=C(NCc1ccncn1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082127380 559039854 /nfs/dbraw/zinc/03/98/54/559039854.db2.gz CEUKSRSKPYBDNA-NRFANRHFSA-N 2 1 407.562 2.512 50 0 HFAAMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000092002510 559074955 /nfs/dbraw/zinc/07/49/55/559074955.db2.gz UTANTYJWWBFOGB-JPYJTQIMSA-N 2 1 402.558 2.826 50 0 HFAAMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000092002510 559074956 /nfs/dbraw/zinc/07/49/56/559074956.db2.gz UTANTYJWWBFOGB-JPYJTQIMSA-N 2 1 402.558 2.826 50 0 HFAAMP COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095496970 559081573 /nfs/dbraw/zinc/08/15/73/559081573.db2.gz MVOCCBUZTHPTOI-LJQANCHMSA-N 2 1 403.523 2.849 50 0 HFAAMP COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095496970 559081574 /nfs/dbraw/zinc/08/15/74/559081574.db2.gz MVOCCBUZTHPTOI-LJQANCHMSA-N 2 1 403.523 2.849 50 0 HFAAMP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)c1ccsc1 ZINC000095465156 568623036 /nfs/dbraw/zinc/62/30/36/568623036.db2.gz DBDWNYKQIOKBSD-SFHVURJKSA-N 2 1 403.596 2.986 50 0 HFAAMP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)c1ccsc1 ZINC000095465156 568623040 /nfs/dbraw/zinc/62/30/40/568623040.db2.gz DBDWNYKQIOKBSD-SFHVURJKSA-N 2 1 403.596 2.986 50 0 HFAAMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C1 ZINC000095947535 568664997 /nfs/dbraw/zinc/66/49/97/568664997.db2.gz FSYUFJPGQWHLDD-JTHBVZDNSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000095947535 568665000 /nfs/dbraw/zinc/66/50/00/568665000.db2.gz FSYUFJPGQWHLDD-JTHBVZDNSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000095947535 568665004 /nfs/dbraw/zinc/66/50/04/568665004.db2.gz FSYUFJPGQWHLDD-JTHBVZDNSA-N 2 1 420.557 2.987 50 0 HFAAMP COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012434790 568722557 /nfs/dbraw/zinc/72/25/57/568722557.db2.gz OMRUGIUWINJIHO-NRFANRHFSA-N 2 1 401.551 2.811 50 0 HFAAMP COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C[NH+]1CCCCC1 ZINC000012713862 568915746 /nfs/dbraw/zinc/91/57/46/568915746.db2.gz QPNRIWUTQRHWLB-OAQYLSRUSA-N 2 1 413.606 2.827 50 0 HFAAMP COc1ccccc1/C=C/C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105271489 569009158 /nfs/dbraw/zinc/00/91/58/569009158.db2.gz ALAKGOKTMPRCPG-AVAOGFIGSA-N 2 1 401.595 2.950 50 0 HFAAMP COc1ccccc1/C=C/C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105271489 569009159 /nfs/dbraw/zinc/00/91/59/569009159.db2.gz ALAKGOKTMPRCPG-AVAOGFIGSA-N 2 1 401.595 2.950 50 0 HFAAMP COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000034668493 557361924 /nfs/dbraw/zinc/36/19/24/557361924.db2.gz HDLXHSGPLRFPBJ-UHFFFAOYSA-N 2 1 422.573 2.843 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000004754601 557593032 /nfs/dbraw/zinc/59/30/32/557593032.db2.gz SUXCVKYOWFEMAD-ZDNVTZCJSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(OC[C@H](O)C[NH+]2CCCC[C@@H]2C)cc1 ZINC000004754601 557593035 /nfs/dbraw/zinc/59/30/35/557593035.db2.gz SUXCVKYOWFEMAD-ZDNVTZCJSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(OC[C@H](O)C[NH+]2CCCC[C@@H]2C)cc1 ZINC000004754601 557593037 /nfs/dbraw/zinc/59/30/37/557593037.db2.gz SUXCVKYOWFEMAD-ZDNVTZCJSA-N 2 1 420.594 2.915 50 0 HFAAMP COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012443093 558412904 /nfs/dbraw/zinc/41/29/04/558412904.db2.gz QHLJBHICJYGPKC-OAQYLSRUSA-N 2 1 418.582 2.720 50 0 HFAAMP COc1cc(C[NH+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012443093 558412907 /nfs/dbraw/zinc/41/29/07/558412907.db2.gz QHLJBHICJYGPKC-OAQYLSRUSA-N 2 1 418.582 2.720 50 0 HFAAMP COc1cc(C[NH+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012443093 558412913 /nfs/dbraw/zinc/41/29/13/558412913.db2.gz QHLJBHICJYGPKC-OAQYLSRUSA-N 2 1 418.582 2.720 50 0 HFAAMP Cc1nn(C)cc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000013596782 558547440 /nfs/dbraw/zinc/54/74/40/558547440.db2.gz YBAVFJACUUJXRI-HSZRJFAPSA-N 2 1 408.546 2.890 50 0 HFAAMP Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014539638 558659439 /nfs/dbraw/zinc/65/94/39/558659439.db2.gz WBHOOBSGHBTAHU-NRFANRHFSA-N 2 1 421.589 2.768 50 0 HFAAMP COc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000014750166 558670707 /nfs/dbraw/zinc/67/07/07/558670707.db2.gz BLAWAMDZEQRNLL-NHCUHLMSSA-N 2 1 415.578 2.860 50 0 HFAAMP COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)N3CCCC3)C2)cc1OC ZINC000014750166 558670710 /nfs/dbraw/zinc/67/07/10/558670710.db2.gz BLAWAMDZEQRNLL-NHCUHLMSSA-N 2 1 415.578 2.860 50 0 HFAAMP Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)CC1 ZINC000015065379 558708324 /nfs/dbraw/zinc/70/83/24/558708324.db2.gz UKYSACDUMJVSMY-UHFFFAOYSA-N 2 1 412.622 2.836 50 0 HFAAMP COC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091621043 559072403 /nfs/dbraw/zinc/07/24/03/559072403.db2.gz ZDPINOKCHZMYGH-OAQYLSRUSA-N 2 1 413.606 2.871 50 0 HFAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 ZINC000091663469 559072866 /nfs/dbraw/zinc/07/28/66/559072866.db2.gz GRROLAWQPDYBIY-QFIPXVFZSA-N 2 1 411.590 2.579 50 0 HFAAMP O=C(NC1CCOCC1)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000092001367 559074993 /nfs/dbraw/zinc/07/49/93/559074993.db2.gz XSVIMFFTUFXJNI-OAQYLSRUSA-N 2 1 411.590 2.625 50 0 HFAAMP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)c1ccsc1 ZINC000095465157 568623123 /nfs/dbraw/zinc/62/31/23/568623123.db2.gz DBDWNYKQIOKBSD-GOSISDBHSA-N 2 1 403.596 2.986 50 0 HFAAMP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1)c1ccsc1 ZINC000095465157 568623126 /nfs/dbraw/zinc/62/31/26/568623126.db2.gz DBDWNYKQIOKBSD-GOSISDBHSA-N 2 1 403.596 2.986 50 0 HFAAMP O[C@@H](COc1cccc(C[NH2+]CCN2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779379 568643756 /nfs/dbraw/zinc/64/37/56/568643756.db2.gz IGAKWZHHHRCZGA-XMMPIXPASA-N 2 1 409.574 2.670 50 0 HFAAMP O[C@@H](COc1cccc(CNCC[NH+]2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000020779379 568643758 /nfs/dbraw/zinc/64/37/58/568643758.db2.gz IGAKWZHHHRCZGA-XMMPIXPASA-N 2 1 409.574 2.670 50 0 HFAAMP O[C@@H](COc1cccc(CNCC[NH+]2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779379 568643762 /nfs/dbraw/zinc/64/37/62/568643762.db2.gz IGAKWZHHHRCZGA-XMMPIXPASA-N 2 1 409.574 2.670 50 0 HFAAMP COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012434791 568722585 /nfs/dbraw/zinc/72/25/85/568722585.db2.gz OMRUGIUWINJIHO-OAQYLSRUSA-N 2 1 401.551 2.811 50 0 HFAAMP CCOc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C)CC3)s2)cc1 ZINC000007002069 569198911 /nfs/dbraw/zinc/19/89/11/569198911.db2.gz OYOXICSXHXXULL-UHFFFAOYSA-N 2 1 412.563 2.769 50 0 HFAAMP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000034684423 571316391 /nfs/dbraw/zinc/31/63/91/571316391.db2.gz VPZZKSLKSXILHY-UHFFFAOYSA-N 2 1 400.954 2.954 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437547 132359962 /nfs/dbraw/zinc/35/99/62/132359962.db2.gz GBFZFUHGTVCVGS-HSZRJFAPSA-N 2 1 418.585 2.800 50 0 HFAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015064815 557850663 /nfs/dbraw/zinc/85/06/63/557850663.db2.gz LQJXCSLYPLQOIZ-LJQANCHMSA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015064815 557850664 /nfs/dbraw/zinc/85/06/64/557850664.db2.gz LQJXCSLYPLQOIZ-LJQANCHMSA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015064815 557850666 /nfs/dbraw/zinc/85/06/66/557850666.db2.gz LQJXCSLYPLQOIZ-LJQANCHMSA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015064815 557850668 /nfs/dbraw/zinc/85/06/68/557850668.db2.gz LQJXCSLYPLQOIZ-LJQANCHMSA-N 2 1 404.555 2.747 50 0 HFAAMP COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011709711 558271172 /nfs/dbraw/zinc/27/11/72/558271172.db2.gz CYVWIBKRTRKKHH-QFIPXVFZSA-N 2 1 424.545 2.590 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000011949417 558302800 /nfs/dbraw/zinc/30/28/00/558302800.db2.gz NHFGJZCBKVARLN-GOSISDBHSA-N 2 1 407.628 2.802 50 0 HFAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C)on2)C1 ZINC000012073731 558318660 /nfs/dbraw/zinc/31/86/60/558318660.db2.gz UWQIVFMGGIMAMT-LJQANCHMSA-N 2 1 414.550 2.908 50 0 HFAAMP CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000020351338 558356536 /nfs/dbraw/zinc/35/65/36/558356536.db2.gz KGOYFNQJWZOZNP-RPWUZVMVSA-N 2 1 406.574 2.630 50 0 HFAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351652 558356678 /nfs/dbraw/zinc/35/66/78/558356678.db2.gz XUQGBLOZXXSHBD-NRFANRHFSA-N 2 1 401.551 2.597 50 0 HFAAMP COc1ccc(C[NH2+]CC2(C)COC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014956012 558682449 /nfs/dbraw/zinc/68/24/49/558682449.db2.gz HYBYEILTVBMBHD-OAQYLSRUSA-N 2 1 414.546 2.693 50 0 HFAAMP C[N@@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)Cc1cccc(Cl)c1 ZINC000019222756 558852189 /nfs/dbraw/zinc/85/21/89/558852189.db2.gz LLZFSLKGSYJBTQ-JOCHJYFZSA-N 2 1 417.981 2.959 50 0 HFAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O ZINC000072422123 558978623 /nfs/dbraw/zinc/97/86/23/558978623.db2.gz CFGINOSGGXPPTC-OAQYLSRUSA-N 2 1 401.551 2.627 50 0 HFAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCSCC1 ZINC000091724619 559073336 /nfs/dbraw/zinc/07/33/36/559073336.db2.gz MVJFNKDDMRYQQZ-NRFANRHFSA-N 2 1 413.631 2.906 50 0 HFAAMP COCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091713656 559073369 /nfs/dbraw/zinc/07/33/69/559073369.db2.gz TUWPJTKBGLWWLR-JOCHJYFZSA-N 2 1 413.606 2.825 50 0 HFAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCSCC1 ZINC000091724621 559073382 /nfs/dbraw/zinc/07/33/82/559073382.db2.gz MVJFNKDDMRYQQZ-OAQYLSRUSA-N 2 1 413.631 2.906 50 0 HFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779523 569002016 /nfs/dbraw/zinc/00/20/16/569002016.db2.gz JBLGNUAWDOAUMU-UHFFFAOYSA-N 2 1 411.550 2.584 50 0 HFAAMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779523 569002017 /nfs/dbraw/zinc/00/20/17/569002017.db2.gz JBLGNUAWDOAUMU-UHFFFAOYSA-N 2 1 411.550 2.584 50 0 HFAAMP Cc1cccc(C[N@@H+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]2CCO)n1 ZINC000020541283 524401057 /nfs/dbraw/zinc/40/10/57/524401057.db2.gz XSKQDBHUHWBNDZ-SANMLTNESA-N 2 1 422.617 2.966 50 0 HFAAMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]2CCO)n1 ZINC000020541283 524401065 /nfs/dbraw/zinc/40/10/65/524401065.db2.gz XSKQDBHUHWBNDZ-SANMLTNESA-N 2 1 422.617 2.966 50 0 HFAAMP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]CC2(N3CCCCC3)CCCC2)c1 ZINC000032516110 524968761 /nfs/dbraw/zinc/96/87/61/524968761.db2.gz BATMBJSGKJQTPP-NRFANRHFSA-N 2 1 419.610 2.885 50 0 HFAAMP CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012457924 558418018 /nfs/dbraw/zinc/41/80/18/558418018.db2.gz OJXOXMOMKUYOAJ-QGZVFWFLSA-N 2 1 405.612 2.743 50 0 HFAAMP CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012457924 558418021 /nfs/dbraw/zinc/41/80/21/558418021.db2.gz OJXOXMOMKUYOAJ-QGZVFWFLSA-N 2 1 405.612 2.743 50 0 HFAAMP COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014958885 558683311 /nfs/dbraw/zinc/68/33/11/558683311.db2.gz UETVXOQMVBJBPI-FQEVSTJZSA-N 2 1 402.535 2.944 50 0 HFAAMP Cc1nnsc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014961135 558684152 /nfs/dbraw/zinc/68/41/52/558684152.db2.gz DTQPCTXZTXHBSB-KRWDZBQOSA-N 2 1 419.570 2.902 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000055072830 558871481 /nfs/dbraw/zinc/87/14/81/558871481.db2.gz YLQKHEALYBWQCA-XMMPIXPASA-N 3 1 412.622 2.834 50 0 HFAAMP Cc1[nH+]ccn1-c1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)ccn1 ZINC000058166499 558906959 /nfs/dbraw/zinc/90/69/59/558906959.db2.gz UFMFPZBQHPVZFS-UHFFFAOYSA-N 2 1 410.497 2.988 50 0 HFAAMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)C2)CC1 ZINC000095500292 559082080 /nfs/dbraw/zinc/08/20/80/559082080.db2.gz MABUPBVCTYOKBQ-QFIPXVFZSA-N 3 1 401.595 2.830 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000239412536 569054324 /nfs/dbraw/zinc/05/43/24/569054324.db2.gz SUXCVKYOWFEMAD-YSFYHYPLSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000239412536 569054325 /nfs/dbraw/zinc/05/43/25/569054325.db2.gz SUXCVKYOWFEMAD-YSFYHYPLSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000239412536 569054326 /nfs/dbraw/zinc/05/43/26/569054326.db2.gz SUXCVKYOWFEMAD-YSFYHYPLSA-N 2 1 420.594 2.915 50 0 HFAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]CCCOC(C)C)CC3)cc2)CC1 ZINC000012452570 132360888 /nfs/dbraw/zinc/36/08/88/132360888.db2.gz AWTXGMXQPRKQKX-UHFFFAOYSA-N 2 1 416.610 2.838 50 0 HFAAMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000011936840 558300825 /nfs/dbraw/zinc/30/08/25/558300825.db2.gz MUUAUYBXLYIADO-OAQYLSRUSA-N 2 1 401.576 2.892 50 0 HFAAMP Cc1cc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n[nH]1 ZINC000012307371 558375966 /nfs/dbraw/zinc/37/59/66/558375966.db2.gz GLJYMVQQVZEEQY-UHFFFAOYSA-N 2 1 423.605 2.991 50 0 HFAAMP CC[NH+]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020905506 558420668 /nfs/dbraw/zinc/42/06/68/558420668.db2.gz MXHAZGSWMSFJMZ-DEOSSOPVSA-N 2 1 404.643 2.909 50 0 HFAAMP O=C(NCCCn1cccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012708738 558451014 /nfs/dbraw/zinc/45/10/14/558451014.db2.gz MMFNGQVWVCCVBW-JOCHJYFZSA-N 2 1 409.578 2.766 50 0 HFAAMP O=C(NCCCn1cccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012708738 558451016 /nfs/dbraw/zinc/45/10/16/558451016.db2.gz MMFNGQVWVCCVBW-JOCHJYFZSA-N 2 1 409.578 2.766 50 0 HFAAMP COc1ccc(C[NH2+]CC2(C)COC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014956006 558682573 /nfs/dbraw/zinc/68/25/73/558682573.db2.gz HYBYEILTVBMBHD-NRFANRHFSA-N 2 1 414.546 2.693 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C(=O)c1ccccc1 ZINC000014959569 558683600 /nfs/dbraw/zinc/68/36/00/558683600.db2.gz ITJMJRGNTMGKJH-JOCHJYFZSA-N 2 1 415.578 2.541 50 0 HFAAMP COc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000019146914 558846890 /nfs/dbraw/zinc/84/68/90/558846890.db2.gz FOOWJMHHSASREZ-QFIPXVFZSA-N 2 1 416.562 2.770 50 0 HFAAMP COc1ccc(C[NH+](CCO)Cc2ccccc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000019146914 558846891 /nfs/dbraw/zinc/84/68/91/558846891.db2.gz FOOWJMHHSASREZ-QFIPXVFZSA-N 2 1 416.562 2.770 50 0 HFAAMP COc1ccc(C[NH+](CCO)Cc2ccccc2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000019146914 558846894 /nfs/dbraw/zinc/84/68/94/558846894.db2.gz FOOWJMHHSASREZ-QFIPXVFZSA-N 2 1 416.562 2.770 50 0 HFAAMP [NH3+]C[C@@H]1CCN(C(=O)C2CC[NH+](C3CCN(CCCc4ccccc4)CC3)CC2)C1 ZINC000082127215 559039896 /nfs/dbraw/zinc/03/98/96/559039896.db2.gz RZPNDYYOBZNRAO-QFIPXVFZSA-N 2 1 412.622 2.603 50 0 HFAAMP [NH3+]C[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1 ZINC000082127215 559039898 /nfs/dbraw/zinc/03/98/98/559039898.db2.gz RZPNDYYOBZNRAO-QFIPXVFZSA-N 2 1 412.622 2.603 50 0 HFAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)on1 ZINC000091690020 559072896 /nfs/dbraw/zinc/07/28/96/559072896.db2.gz VKXPEKDDCPOGMI-NRFANRHFSA-N 2 1 422.573 2.943 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000011708945 559241454 /nfs/dbraw/zinc/24/14/54/559241454.db2.gz OOPFEMHRNYWOEP-IBGZPJMESA-N 2 1 405.612 2.791 50 0 HFAAMP CN1CC[N@@H+](C)Cc2ccc(NC(=O)C[C@H]3CN(Cc4ccccc4)CCO3)cc21 ZINC000108168957 560898208 /nfs/dbraw/zinc/89/82/08/560898208.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[N@H+](C)Cc2ccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)cc21 ZINC000108168957 560898209 /nfs/dbraw/zinc/89/82/09/560898209.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[N@@H+](C)Cc2ccc(NC(=O)C[C@H]3C[NH+](Cc4ccccc4)CCO3)cc21 ZINC000108168957 560898212 /nfs/dbraw/zinc/89/82/12/560898212.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[NH+](C)Cc2ccc(NC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc21 ZINC000108168957 560898215 /nfs/dbraw/zinc/89/82/15/560898215.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 2 1 408.546 2.798 50 0 HFAAMP O=C(NC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000097021070 568766457 /nfs/dbraw/zinc/76/64/57/568766457.db2.gz RPDGSOZTXCSYJL-JXFKEZNVSA-N 2 1 413.953 2.877 50 0 HFAAMP CCc1nc(C)ccc1OCC(=O)N(CC)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011874714 558292172 /nfs/dbraw/zinc/29/21/72/558292172.db2.gz SOPGOWMILRSHTA-UHFFFAOYSA-N 2 1 416.610 2.986 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1CCOCC1 ZINC000011874629 558292303 /nfs/dbraw/zinc/29/23/03/558292303.db2.gz WXPFLWQTBYSCLW-LJQANCHMSA-N 2 1 405.558 2.855 50 0 HFAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCc2n[nH]cc2C1 ZINC000012445950 558413966 /nfs/dbraw/zinc/41/39/66/558413966.db2.gz DSFUYRQAQYBHRS-HXUWFJFHSA-N 2 1 407.562 2.671 50 0 HFAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCc2n[nH]cc2C1 ZINC000012445950 558413969 /nfs/dbraw/zinc/41/39/69/558413969.db2.gz DSFUYRQAQYBHRS-HXUWFJFHSA-N 2 1 407.562 2.671 50 0 HFAAMP CC[NH+]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020905505 558420642 /nfs/dbraw/zinc/42/06/42/558420642.db2.gz MXHAZGSWMSFJMZ-XMMPIXPASA-N 2 1 404.643 2.909 50 0 HFAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1 ZINC000022851336 558516834 /nfs/dbraw/zinc/51/68/34/558516834.db2.gz UWPAJAQAMJEPGR-HXUWFJFHSA-N 2 1 403.592 2.724 50 0 HFAAMP CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CC[NH+](CC)CC1 ZINC000023374616 558553986 /nfs/dbraw/zinc/55/39/86/558553986.db2.gz DRVRPSRYLCFQJZ-JOCHJYFZSA-N 2 1 418.601 2.566 50 0 HFAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)CC1 ZINC000023375314 558555000 /nfs/dbraw/zinc/55/50/00/558555000.db2.gz KEFYBFXZWINWRX-QFIPXVFZSA-N 2 1 415.553 2.535 50 0 HFAAMP O=C(C[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055131883 558873578 /nfs/dbraw/zinc/87/35/78/558873578.db2.gz VQJZUMPDCPLXOS-NRFANRHFSA-N 2 1 404.986 2.939 50 0 HFAAMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000065892510 558982660 /nfs/dbraw/zinc/98/26/60/558982660.db2.gz PAPUDYYWKXWMIJ-UHFFFAOYSA-N 2 1 420.557 2.925 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082107186 559038525 /nfs/dbraw/zinc/03/85/25/559038525.db2.gz HIRLMPOTUSVEON-HSZRJFAPSA-N 2 1 412.622 2.521 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082107186 559038527 /nfs/dbraw/zinc/03/85/27/559038527.db2.gz HIRLMPOTUSVEON-HSZRJFAPSA-N 3 1 412.622 2.521 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082107186 559038529 /nfs/dbraw/zinc/03/85/29/559038529.db2.gz HIRLMPOTUSVEON-HSZRJFAPSA-N 3 1 412.622 2.521 50 0 HFAAMP COCC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091382196 559071445 /nfs/dbraw/zinc/07/14/45/559071445.db2.gz DSIDNXFBGJUNJJ-NRFANRHFSA-N 2 1 413.606 2.871 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)cc2)CC1 ZINC000012449442 132360856 /nfs/dbraw/zinc/36/08/56/132360856.db2.gz ASKRDMROASVETA-HSZRJFAPSA-N 2 1 406.574 2.875 50 0 HFAAMP COc1ccc(C[NH2+]CCc2scnc2C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011878484 558292721 /nfs/dbraw/zinc/29/27/21/558292721.db2.gz SAFQHDSIQBNBOW-SFHVURJKSA-N 2 1 407.580 2.872 50 0 HFAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012703779 558448664 /nfs/dbraw/zinc/44/86/64/558448664.db2.gz XMHZYXMQUOVASF-NRFANRHFSA-N 2 1 402.535 2.645 50 0 HFAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012703779 558448668 /nfs/dbraw/zinc/44/86/68/558448668.db2.gz XMHZYXMQUOVASF-NRFANRHFSA-N 2 1 402.535 2.645 50 0 HFAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012703779 558448669 /nfs/dbraw/zinc/44/86/69/558448669.db2.gz XMHZYXMQUOVASF-NRFANRHFSA-N 2 1 402.535 2.645 50 0 HFAAMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)CC1 ZINC000023360639 558552166 /nfs/dbraw/zinc/55/21/66/558552166.db2.gz IOBRWKKCGJIQLO-CTNGQTDRSA-N 2 1 407.002 2.881 50 0 HFAAMP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1ccc(Cl)cc1 ZINC000023362810 558552522 /nfs/dbraw/zinc/55/25/22/558552522.db2.gz KLYDIYMUVGPSAC-RTWAWAEBSA-N 2 1 407.002 2.835 50 0 HFAAMP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082121276 559039519 /nfs/dbraw/zinc/03/95/19/559039519.db2.gz NEJJLSHWTZFPTA-QFIPXVFZSA-N 2 1 413.606 2.827 50 0 HFAAMP O=C(NC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082121276 559039521 /nfs/dbraw/zinc/03/95/21/559039521.db2.gz NEJJLSHWTZFPTA-QFIPXVFZSA-N 2 1 413.606 2.827 50 0 HFAAMP CC(C)OCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091288816 559070762 /nfs/dbraw/zinc/07/07/62/559070762.db2.gz AVQOZGREYHGUHQ-QFIPXVFZSA-N 2 1 413.606 2.871 50 0 HFAAMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892513 568511810 /nfs/dbraw/zinc/51/18/10/568511810.db2.gz JIEGBNLZBMECOC-ZWKOTPCHSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892513 568511812 /nfs/dbraw/zinc/51/18/12/568511812.db2.gz JIEGBNLZBMECOC-ZWKOTPCHSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892513 568511814 /nfs/dbraw/zinc/51/18/14/568511814.db2.gz JIEGBNLZBMECOC-ZWKOTPCHSA-N 2 1 418.607 2.682 50 0 HFAAMP O=C1CO[C@@H](CNc2[nH+]ccc3ccccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299799468 568876454 /nfs/dbraw/zinc/87/64/54/568876454.db2.gz GOPXHBXEVOSERO-NRFANRHFSA-N 2 1 408.546 2.996 50 0 HFAAMP CCC(=O)N(CC[NH+](C)C)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312213 569132754 /nfs/dbraw/zinc/13/27/54/569132754.db2.gz PFLZNBJXAOQIDK-UHFFFAOYSA-N 2 1 417.529 2.533 50 0 HFAAMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000170669367 569297590 /nfs/dbraw/zinc/29/75/90/569297590.db2.gz LPXQSVWLHAXJQZ-LZNRXBQRSA-N 2 1 403.542 2.909 50 0 HFAAMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000170669367 569297592 /nfs/dbraw/zinc/29/75/92/569297592.db2.gz LPXQSVWLHAXJQZ-LZNRXBQRSA-N 2 1 403.542 2.909 50 0 HFAAMP CCC[N@@H+]1CCc2c(sc3c2c(NCCC[NH+](CC)CC)nc2nnnn23)C1 ZINC000002241429 569323653 /nfs/dbraw/zinc/32/36/53/569323653.db2.gz CUYBRCNIPZBPRZ-UHFFFAOYSA-N 2 1 402.572 2.646 50 0 HFAAMP CCC[N@H+]1CCc2c(sc3c2c(NCCC[NH+](CC)CC)nc2nnnn23)C1 ZINC000002241429 569323654 /nfs/dbraw/zinc/32/36/54/569323654.db2.gz CUYBRCNIPZBPRZ-UHFFFAOYSA-N 2 1 402.572 2.646 50 0 HFAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000012836505 558478472 /nfs/dbraw/zinc/47/84/72/558478472.db2.gz FUWTZWIQWOHVOD-QHCPKHFHSA-N 2 1 408.546 2.935 50 0 HFAAMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)CC1 ZINC000023362845 558552641 /nfs/dbraw/zinc/55/26/41/558552641.db2.gz YACQQHJIKYLWAO-RTWAWAEBSA-N 2 1 407.002 2.881 50 0 HFAAMP COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)c1OC ZINC000072410951 558977769 /nfs/dbraw/zinc/97/77/69/558977769.db2.gz MDNUJCMXSOCPMP-QHCPKHFHSA-N 2 1 401.551 2.613 50 0 HFAAMP COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)c1OC ZINC000072410951 558977771 /nfs/dbraw/zinc/97/77/71/558977771.db2.gz MDNUJCMXSOCPMP-QHCPKHFHSA-N 2 1 401.551 2.613 50 0 HFAAMP COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020536215 524069614 /nfs/dbraw/zinc/06/96/14/524069614.db2.gz LXXHBLPKFICASK-QFIPXVFZSA-N 2 1 417.594 2.662 50 0 HFAAMP C[C@@H](Cc1cccnc1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000020205097 558346444 /nfs/dbraw/zinc/34/64/44/558346444.db2.gz UKDJOMJHWHCTHT-FQEVSTJZSA-N 2 1 421.589 2.900 50 0 HFAAMP COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020208109 558347238 /nfs/dbraw/zinc/34/72/38/558347238.db2.gz IWHPPFALAUJSMY-JOCHJYFZSA-N 2 1 419.610 2.742 50 0 HFAAMP COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012443091 558413004 /nfs/dbraw/zinc/41/30/04/558413004.db2.gz QHLJBHICJYGPKC-NRFANRHFSA-N 2 1 418.582 2.720 50 0 HFAAMP COc1cc(C[NH+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012443091 558413005 /nfs/dbraw/zinc/41/30/05/558413005.db2.gz QHLJBHICJYGPKC-NRFANRHFSA-N 2 1 418.582 2.720 50 0 HFAAMP COc1cc(C[NH+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012443091 558413006 /nfs/dbraw/zinc/41/30/06/558413006.db2.gz QHLJBHICJYGPKC-NRFANRHFSA-N 2 1 418.582 2.720 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015070680 558712588 /nfs/dbraw/zinc/71/25/88/558712588.db2.gz ABZYDPZFFPYBQF-HXUWFJFHSA-N 2 1 417.575 2.511 50 0 HFAAMP Cc1nccn1CC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508160 559083453 /nfs/dbraw/zinc/08/34/53/559083453.db2.gz AEWWZRYAEOKVOC-JOCHJYFZSA-N 2 1 400.567 2.939 50 0 HFAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508160 559083454 /nfs/dbraw/zinc/08/34/54/559083454.db2.gz AEWWZRYAEOKVOC-JOCHJYFZSA-N 3 1 400.567 2.939 50 0 HFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508160 559083455 /nfs/dbraw/zinc/08/34/55/559083455.db2.gz AEWWZRYAEOKVOC-JOCHJYFZSA-N 3 1 400.567 2.939 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1[nH]c(C)cc1C ZINC000011813835 559260246 /nfs/dbraw/zinc/26/02/46/559260246.db2.gz FZSCIEGFKCUOSD-OAQYLSRUSA-N 2 1 404.599 2.916 50 0 HFAAMP O=C(NC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000108460472 568419020 /nfs/dbraw/zinc/41/90/20/568419020.db2.gz RPDGSOZTXCSYJL-OXJNMPFZSA-N 2 1 413.953 2.877 50 0 HFAAMP CCOCCC[N@H+]1CC[C@H](NCC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892572 568511857 /nfs/dbraw/zinc/51/18/57/568511857.db2.gz JIEGBNLZBMECOC-ROUUACIJSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892572 568511858 /nfs/dbraw/zinc/51/18/58/568511858.db2.gz JIEGBNLZBMECOC-ROUUACIJSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@@H](C)C1 ZINC000221892572 568511859 /nfs/dbraw/zinc/51/18/59/568511859.db2.gz JIEGBNLZBMECOC-ROUUACIJSA-N 2 1 418.607 2.682 50 0 HFAAMP COc1ccc(/C=C/C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000105278813 569009236 /nfs/dbraw/zinc/00/92/36/569009236.db2.gz KODRBOFEFKNKTJ-NVIZVJJSSA-N 2 1 401.595 2.950 50 0 HFAAMP COc1ccc(/C=C/C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000105278813 569009237 /nfs/dbraw/zinc/00/92/37/569009237.db2.gz KODRBOFEFKNKTJ-NVIZVJJSSA-N 2 1 401.595 2.950 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000244595016 569056094 /nfs/dbraw/zinc/05/60/94/569056094.db2.gz DMXWRNSWEQLEGV-RJGXRXQPSA-N 3 1 412.622 2.792 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000244595016 569056095 /nfs/dbraw/zinc/05/60/95/569056095.db2.gz DMXWRNSWEQLEGV-RJGXRXQPSA-N 3 1 412.622 2.792 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000244595016 569056096 /nfs/dbraw/zinc/05/60/96/569056096.db2.gz DMXWRNSWEQLEGV-RJGXRXQPSA-N 3 1 412.622 2.792 50 0 HFAAMP COCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)C1 ZINC000670472544 571094354 /nfs/dbraw/zinc/09/43/54/571094354.db2.gz NSHNKXDBBZQQOZ-OAQYLSRUSA-N 2 1 407.558 2.943 50 0 HFAAMP COCC[NH+]1CC[C@H](CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000670472544 571094356 /nfs/dbraw/zinc/09/43/56/571094356.db2.gz NSHNKXDBBZQQOZ-OAQYLSRUSA-N 2 1 407.558 2.943 50 0 HFAAMP COCC[NH+]1CC[C@H](CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)C1 ZINC000670472544 571094358 /nfs/dbraw/zinc/09/43/58/571094358.db2.gz NSHNKXDBBZQQOZ-OAQYLSRUSA-N 2 1 407.558 2.943 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCc4ccccc4)C3)cc2)CC1 ZINC000012449443 132360883 /nfs/dbraw/zinc/36/08/83/132360883.db2.gz ASKRDMROASVETA-QHCPKHFHSA-N 2 1 406.574 2.875 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)CC1 ZINC000020542016 519670252 /nfs/dbraw/zinc/67/02/52/519670252.db2.gz XTLWVZOVNBAYFT-DEOSSOPVSA-N 2 1 411.594 2.614 50 0 HFAAMP C[NH+](C)CCNC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668647 557362331 /nfs/dbraw/zinc/36/23/31/557362331.db2.gz ZVABCTFNCNPPDP-UHFFFAOYSA-N 2 1 400.954 2.954 50 0 HFAAMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000011821411 558284759 /nfs/dbraw/zinc/28/47/59/558284759.db2.gz PGIYQEKYBXSAAR-HXUWFJFHSA-N 2 1 421.589 2.900 50 0 HFAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]CC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020110063 558335330 /nfs/dbraw/zinc/33/53/30/558335330.db2.gz IZMGRFCBYIGYLQ-FGTMMUONSA-N 2 1 413.591 2.865 50 0 HFAAMP COCC[N@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000012305156 558374307 /nfs/dbraw/zinc/37/43/07/558374307.db2.gz CVKJGLAKARHGMI-UHFFFAOYSA-N 2 1 413.566 2.503 50 0 HFAAMP COCC[N@@H+](C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000012305156 558374309 /nfs/dbraw/zinc/37/43/09/558374309.db2.gz CVKJGLAKARHGMI-UHFFFAOYSA-N 2 1 413.566 2.503 50 0 HFAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071385514 558897419 /nfs/dbraw/zinc/89/74/19/558897419.db2.gz SOKSRKIKTSKPKE-GOSISDBHSA-N 2 1 400.571 2.600 50 0 HFAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071385514 558897420 /nfs/dbraw/zinc/89/74/20/558897420.db2.gz SOKSRKIKTSKPKE-GOSISDBHSA-N 2 1 400.571 2.600 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082106921 559038246 /nfs/dbraw/zinc/03/82/46/559038246.db2.gz VWZISELRCJTGMF-QHCPKHFHSA-N 2 1 412.622 2.603 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082106921 559038248 /nfs/dbraw/zinc/03/82/48/559038248.db2.gz VWZISELRCJTGMF-QHCPKHFHSA-N 3 1 412.622 2.603 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082106921 559038249 /nfs/dbraw/zinc/03/82/49/559038249.db2.gz VWZISELRCJTGMF-QHCPKHFHSA-N 3 1 412.622 2.603 50 0 HFAAMP O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082109348 559038847 /nfs/dbraw/zinc/03/88/47/559038847.db2.gz WHQAGXXUFBHUHG-QHCPKHFHSA-N 2 1 413.606 2.948 50 0 HFAAMP O=C(NCC1CCOCC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082109348 559038848 /nfs/dbraw/zinc/03/88/48/559038848.db2.gz WHQAGXXUFBHUHG-QHCPKHFHSA-N 2 1 413.606 2.948 50 0 HFAAMP CC(C)OCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091288812 559070846 /nfs/dbraw/zinc/07/08/46/559070846.db2.gz AVQOZGREYHGUHQ-JOCHJYFZSA-N 2 1 413.606 2.871 50 0 HFAAMP CCc1cc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)nc(C)[nH+]1 ZINC000095517092 559084593 /nfs/dbraw/zinc/08/45/93/559084593.db2.gz QBIMEDZOYKJLDC-UHFFFAOYSA-N 2 1 401.599 2.941 50 0 HFAAMP COc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)ccc1O ZINC000000819207 568496690 /nfs/dbraw/zinc/49/66/90/568496690.db2.gz MPSDINCJKVJKNX-UHFFFAOYSA-N 2 1 423.557 2.957 50 0 HFAAMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000084037471 568933272 /nfs/dbraw/zinc/93/32/72/568933272.db2.gz ZMDAOSIFNHGXNV-YJBOKZPZSA-N 2 1 410.356 2.963 50 0 HFAAMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000084037471 568933273 /nfs/dbraw/zinc/93/32/73/568933273.db2.gz ZMDAOSIFNHGXNV-YJBOKZPZSA-N 2 1 410.356 2.963 50 0 HFAAMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301046 569054732 /nfs/dbraw/zinc/05/47/32/569054732.db2.gz LPXQSVWLHAXJQZ-SFGWALBWSA-N 2 1 403.542 2.909 50 0 HFAAMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301046 569054733 /nfs/dbraw/zinc/05/47/33/569054733.db2.gz LPXQSVWLHAXJQZ-SFGWALBWSA-N 2 1 403.542 2.909 50 0 HFAAMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000040103960 571164776 /nfs/dbraw/zinc/16/47/76/571164776.db2.gz JEDLRKTWPSAFLT-HXUWFJFHSA-N 2 1 417.598 2.697 50 0 HFAAMP CC[N@H+]1CCC[C@H](N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1 ZINC000020539603 521643524 /nfs/dbraw/zinc/64/35/24/521643524.db2.gz UYFOORLWEJBFIG-NRFANRHFSA-N 2 1 416.610 2.648 50 0 HFAAMP CCN1CCC[C@H]([NH+]2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1 ZINC000020539603 521643527 /nfs/dbraw/zinc/64/35/27/521643527.db2.gz UYFOORLWEJBFIG-NRFANRHFSA-N 2 1 416.610 2.648 50 0 HFAAMP COc1ccc(C[NH2+]CCc2scnc2C)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011878485 558292843 /nfs/dbraw/zinc/29/28/43/558292843.db2.gz SAFQHDSIQBNBOW-GOSISDBHSA-N 2 1 407.580 2.872 50 0 HFAAMP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](CCCn3cccn3)CC2)CC1 ZINC000012596206 558437880 /nfs/dbraw/zinc/43/78/80/558437880.db2.gz FOMFHWDMVSAGLI-UHFFFAOYSA-N 2 1 423.605 2.809 50 0 HFAAMP O=C(NCCCn1cccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012708745 558450979 /nfs/dbraw/zinc/45/09/79/558450979.db2.gz MMFNGQVWVCCVBW-QFIPXVFZSA-N 2 1 409.578 2.766 50 0 HFAAMP O=C(NCCCn1cccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012708745 558450982 /nfs/dbraw/zinc/45/09/82/558450982.db2.gz MMFNGQVWVCCVBW-QFIPXVFZSA-N 2 1 409.578 2.766 50 0 HFAAMP CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014948186 558680279 /nfs/dbraw/zinc/68/02/79/558680279.db2.gz RJLNEHAIYHOJHS-HXUWFJFHSA-N 2 1 407.986 2.775 50 0 HFAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014948186 558680283 /nfs/dbraw/zinc/68/02/83/558680283.db2.gz RJLNEHAIYHOJHS-HXUWFJFHSA-N 2 1 407.986 2.775 50 0 HFAAMP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421036 558821007 /nfs/dbraw/zinc/82/10/07/558821007.db2.gz QCZIJXAQAUVFCU-HSZRJFAPSA-N 2 1 400.611 2.603 50 0 HFAAMP Cc1cccc(C[NH+]2CCC3(CN(CCC[N@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)c1 ZINC000072430147 558979446 /nfs/dbraw/zinc/97/94/46/558979446.db2.gz WWIOURAPJDVRLX-JOCHJYFZSA-N 2 1 414.594 2.808 50 0 HFAAMP Cc1cccc(C[NH+]2CCC3(CN(CCC[N@@H+]4CC[C@@H](N(C)C)C4)C(=O)O3)CC2)c1 ZINC000072430147 558979447 /nfs/dbraw/zinc/97/94/47/558979447.db2.gz WWIOURAPJDVRLX-JOCHJYFZSA-N 2 1 414.594 2.808 50 0 HFAAMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164304 558998351 /nfs/dbraw/zinc/99/83/51/558998351.db2.gz JIEGBNLZBMECOC-QZTJIDSGSA-N 2 1 418.607 2.682 50 0 HFAAMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCCc2nc3ccccc3s2)[C@H](C)C1 ZINC000097164304 558998353 /nfs/dbraw/zinc/99/83/53/558998353.db2.gz JIEGBNLZBMECOC-QZTJIDSGSA-N 2 1 418.607 2.682 50 0 HFAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098702 559037922 /nfs/dbraw/zinc/03/79/22/559037922.db2.gz LTFQCNBMMXUEAM-HSZRJFAPSA-N 2 1 413.606 2.636 50 0 HFAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098702 559037923 /nfs/dbraw/zinc/03/79/23/559037923.db2.gz LTFQCNBMMXUEAM-HSZRJFAPSA-N 2 1 413.606 2.636 50 0 HFAAMP COCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091713657 559073412 /nfs/dbraw/zinc/07/34/12/559073412.db2.gz TUWPJTKBGLWWLR-QFIPXVFZSA-N 2 1 413.606 2.825 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC000011820496 132351184 /nfs/dbraw/zinc/35/11/84/132351184.db2.gz RANQSXNRTFHOMZ-OAQYLSRUSA-N 2 1 410.537 2.972 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC000011820496 132351186 /nfs/dbraw/zinc/35/11/86/132351186.db2.gz RANQSXNRTFHOMZ-OAQYLSRUSA-N 2 1 410.537 2.972 50 0 HFAAMP Cn1cc(C[N@@H+](C)Cc2cc3ccc(F)cc3n(CC[NH+]3CCCCC3)c2=O)cn1 ZINC000011880941 558295054 /nfs/dbraw/zinc/29/50/54/558295054.db2.gz MPEWTDKKMKGORM-UHFFFAOYSA-N 2 1 411.525 2.992 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000011949426 558302760 /nfs/dbraw/zinc/30/27/60/558302760.db2.gz NHFGJZCBKVARLN-SFHVURJKSA-N 2 1 407.628 2.802 50 0 HFAAMP C[N@@H+](CCC1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012092370 558324503 /nfs/dbraw/zinc/32/45/03/558324503.db2.gz CVDFPDBWJMDWRC-OAQYLSRUSA-N 2 1 408.608 2.724 50 0 HFAAMP COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012612528 558438943 /nfs/dbraw/zinc/43/89/43/558438943.db2.gz LLSDZPYPXWJLMF-JOCHJYFZSA-N 2 1 420.594 2.904 50 0 HFAAMP Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014539639 558659385 /nfs/dbraw/zinc/65/93/85/558659385.db2.gz WBHOOBSGHBTAHU-OAQYLSRUSA-N 2 1 421.589 2.768 50 0 HFAAMP C[N@@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)Cc1cccc(Cl)c1 ZINC000019222760 558852364 /nfs/dbraw/zinc/85/23/64/558852364.db2.gz LLZFSLKGSYJBTQ-QFIPXVFZSA-N 2 1 417.981 2.959 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082146966 559040883 /nfs/dbraw/zinc/04/08/83/559040883.db2.gz YMNVLNSDKNSQTM-QFIPXVFZSA-N 2 1 412.622 2.616 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082146966 559040884 /nfs/dbraw/zinc/04/08/84/559040884.db2.gz YMNVLNSDKNSQTM-QFIPXVFZSA-N 3 1 412.622 2.616 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082146966 559040885 /nfs/dbraw/zinc/04/08/85/559040885.db2.gz YMNVLNSDKNSQTM-QFIPXVFZSA-N 3 1 412.622 2.616 50 0 HFAAMP COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1O ZINC000011999648 559270568 /nfs/dbraw/zinc/27/05/68/559270568.db2.gz IEEBVOMNPRWQSE-SFHVURJKSA-N 2 1 403.567 2.946 50 0 HFAAMP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000221679112 568510157 /nfs/dbraw/zinc/51/01/57/568510157.db2.gz LWLUWIFGSNECBT-LEWJYISDSA-N 2 1 409.596 2.653 50 0 HFAAMP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CC[NH+](C)CC2)cc1 ZINC000221679112 568510158 /nfs/dbraw/zinc/51/01/58/568510158.db2.gz LWLUWIFGSNECBT-LEWJYISDSA-N 2 1 409.596 2.653 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)CC1 ZINC000104358608 569008287 /nfs/dbraw/zinc/00/82/87/569008287.db2.gz DXFBONKKLHMOLG-HSZRJFAPSA-N 2 1 411.594 2.614 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)CC1 ZINC000104358608 569008288 /nfs/dbraw/zinc/00/82/88/569008288.db2.gz DXFBONKKLHMOLG-HSZRJFAPSA-N 2 1 411.594 2.614 50 0 HFAAMP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012912261 569021801 /nfs/dbraw/zinc/02/18/01/569021801.db2.gz DDAJJQYXETXIEP-QHCPKHFHSA-N 2 1 420.557 2.728 50 0 HFAAMP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012912261 569021802 /nfs/dbraw/zinc/02/18/02/569021802.db2.gz DDAJJQYXETXIEP-QHCPKHFHSA-N 2 1 420.557 2.728 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/c1ccco1 ZINC000011816462 558279812 /nfs/dbraw/zinc/27/98/12/558279812.db2.gz WPMKECIBUNBAMM-SHBDEGQCSA-N 2 1 403.567 2.964 50 0 HFAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCN(C)CC1 ZINC000019836610 558292713 /nfs/dbraw/zinc/29/27/13/558292713.db2.gz PNEGWEVADMJMFM-OAQYLSRUSA-N 2 1 421.029 2.690 50 0 HFAAMP CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CC[NH+](C)CC1 ZINC000019836610 558292715 /nfs/dbraw/zinc/29/27/15/558292715.db2.gz PNEGWEVADMJMFM-OAQYLSRUSA-N 2 1 421.029 2.690 50 0 HFAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CC[NH+](C)CC1 ZINC000019836610 558292716 /nfs/dbraw/zinc/29/27/16/558292716.db2.gz PNEGWEVADMJMFM-OAQYLSRUSA-N 2 1 421.029 2.690 50 0 HFAAMP COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1 ZINC000012162051 558341922 /nfs/dbraw/zinc/34/19/22/558341922.db2.gz QFZMVJIPHFJTFP-OAQYLSRUSA-N 2 1 415.578 2.752 50 0 HFAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000012836503 558478387 /nfs/dbraw/zinc/47/83/87/558478387.db2.gz FUWTZWIQWOHVOD-HSZRJFAPSA-N 2 1 408.546 2.935 50 0 HFAAMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039380335 558820596 /nfs/dbraw/zinc/82/05/96/558820596.db2.gz UUSCNXCKOPEGFS-JOCHJYFZSA-N 2 1 405.631 2.822 50 0 HFAAMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039380335 558820597 /nfs/dbraw/zinc/82/05/97/558820597.db2.gz UUSCNXCKOPEGFS-JOCHJYFZSA-N 2 1 405.631 2.822 50 0 HFAAMP O=C(C[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055131880 558873422 /nfs/dbraw/zinc/87/34/22/558873422.db2.gz VQJZUMPDCPLXOS-OAQYLSRUSA-N 2 1 404.986 2.939 50 0 HFAAMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000058175437 558909170 /nfs/dbraw/zinc/90/91/70/558909170.db2.gz ZZLPOMOWJMOVTR-WOJBJXKFSA-N 2 1 402.583 2.686 50 0 HFAAMP [NH3+]C1CCN(C(=O)C2CC[NH+](C3CCN(CCCc4ccccc4)CC3)CC2)CC1 ZINC000082145788 559040849 /nfs/dbraw/zinc/04/08/49/559040849.db2.gz DOIGUJPQRVLZHU-UHFFFAOYSA-N 2 1 412.622 2.745 50 0 HFAAMP [NH3+]C1CCN(C(=O)C2CCN(C3CC[NH+](CCCc4ccccc4)CC3)CC2)CC1 ZINC000082145788 559040850 /nfs/dbraw/zinc/04/08/50/559040850.db2.gz DOIGUJPQRVLZHU-UHFFFAOYSA-N 2 1 412.622 2.745 50 0 HFAAMP CCN(CCOC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091602840 559072308 /nfs/dbraw/zinc/07/23/08/559072308.db2.gz AXPBCGOOVYSESQ-QFIPXVFZSA-N 2 1 413.606 2.825 50 0 HFAAMP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cc2)CC1 ZINC000095531749 559087046 /nfs/dbraw/zinc/08/70/46/559087046.db2.gz DWFJADBHJBRDTB-JOCHJYFZSA-N 2 1 403.611 2.932 50 0 HFAAMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000057158905 568824676 /nfs/dbraw/zinc/82/46/76/568824676.db2.gz KRLOBGJBTYNMDD-XMMPIXPASA-N 2 1 409.574 2.807 50 0 HFAAMP C[NH+]1CCN(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000022933341 569008068 /nfs/dbraw/zinc/00/80/68/569008068.db2.gz VRMVVJJBQZOJOR-UHFFFAOYSA-N 2 1 406.574 2.612 50 0 HFAAMP CN1CC[NH+](CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000022933341 569008069 /nfs/dbraw/zinc/00/80/69/569008069.db2.gz VRMVVJJBQZOJOR-UHFFFAOYSA-N 2 1 406.574 2.612 50 0 HFAAMP CN1CC[NH+](CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000022933341 569008070 /nfs/dbraw/zinc/00/80/70/569008070.db2.gz VRMVVJJBQZOJOR-UHFFFAOYSA-N 2 1 406.574 2.612 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000239412534 569054319 /nfs/dbraw/zinc/05/43/19/569054319.db2.gz SUXCVKYOWFEMAD-CZYKHXBRSA-N 2 1 420.594 2.915 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000249698662 569255409 /nfs/dbraw/zinc/25/54/09/569255409.db2.gz WAKNLWWSCDEJDY-MJGOQNOKSA-N 2 1 400.571 2.648 50 0 HFAAMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C1 ZINC000195529916 569312010 /nfs/dbraw/zinc/31/20/10/569312010.db2.gz FSYUFJPGQWHLDD-GGAORHGYSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000195529916 569312012 /nfs/dbraw/zinc/31/20/12/569312012.db2.gz FSYUFJPGQWHLDD-GGAORHGYSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000195529916 569312014 /nfs/dbraw/zinc/31/20/14/569312014.db2.gz FSYUFJPGQWHLDD-GGAORHGYSA-N 2 1 420.557 2.987 50 0 HFAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCN(C(C)=O)CC1 ZINC000011662635 558266525 /nfs/dbraw/zinc/26/65/25/558266525.db2.gz FBAQETKTIDDLRG-UHFFFAOYSA-N 2 1 417.594 2.867 50 0 HFAAMP COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011821072 558284201 /nfs/dbraw/zinc/28/42/01/558284201.db2.gz SLRNYMMSWKXDJI-HXUWFJFHSA-N 2 1 401.551 2.811 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(OC)o1 ZINC000011934583 558298908 /nfs/dbraw/zinc/29/89/08/558298908.db2.gz VHIYSWWWEATYKJ-IBGZPJMESA-N 2 1 407.555 2.573 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000011947355 558302396 /nfs/dbraw/zinc/30/23/96/558302396.db2.gz LOZVEKPLYJRKJR-MRXNPFEDSA-N 2 1 405.543 2.593 50 0 HFAAMP COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012612523 558438972 /nfs/dbraw/zinc/43/89/72/558438972.db2.gz LLSDZPYPXWJLMF-QFIPXVFZSA-N 2 1 420.594 2.904 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CO)C(C)C)CC2)CC1 ZINC000012715157 558454634 /nfs/dbraw/zinc/45/46/34/558454634.db2.gz CKFONHYFXKWNQW-QHCPKHFHSA-N 2 1 401.595 2.805 50 0 HFAAMP COCCNC(=O)CCC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000012835106 558477866 /nfs/dbraw/zinc/47/78/66/558477866.db2.gz WAYPWCHDFGOSRE-UHFFFAOYSA-N 2 1 401.595 2.948 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@@H+](CC(C)C)C2)cn1 ZINC000014753230 558671366 /nfs/dbraw/zinc/67/13/66/558671366.db2.gz JBJPZUCCBGAGMR-BHDDXSALSA-N 2 1 416.610 2.963 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@@H+]3C)C[NH+](CC(C)C)C2)cn1 ZINC000014753230 558671368 /nfs/dbraw/zinc/67/13/68/558671368.db2.gz JBJPZUCCBGAGMR-BHDDXSALSA-N 2 1 416.610 2.963 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[N@H+]3C)C[NH+](CC(C)C)C2)cn1 ZINC000014753230 558671372 /nfs/dbraw/zinc/67/13/72/558671372.db2.gz JBJPZUCCBGAGMR-BHDDXSALSA-N 2 1 416.610 2.963 50 0 HFAAMP Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)cn1 ZINC000019334184 558869547 /nfs/dbraw/zinc/86/95/47/558869547.db2.gz XZGFAQISEKNZJD-XMMPIXPASA-N 2 1 422.573 2.966 50 0 HFAAMP Cn1cc(CC[NH+](C)Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000019334184 558869549 /nfs/dbraw/zinc/86/95/49/558869549.db2.gz XZGFAQISEKNZJD-XMMPIXPASA-N 2 1 422.573 2.966 50 0 HFAAMP Cn1cc(CC[NH+](C)Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000019334184 558869550 /nfs/dbraw/zinc/86/95/50/558869550.db2.gz XZGFAQISEKNZJD-XMMPIXPASA-N 2 1 422.573 2.966 50 0 HFAAMP COCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091382193 559071371 /nfs/dbraw/zinc/07/13/71/559071371.db2.gz DSIDNXFBGJUNJJ-OAQYLSRUSA-N 2 1 413.606 2.871 50 0 HFAAMP COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095496971 559081553 /nfs/dbraw/zinc/08/15/53/559081553.db2.gz MVOCCBUZTHPTOI-IBGZPJMESA-N 2 1 403.523 2.849 50 0 HFAAMP COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095496971 559081554 /nfs/dbraw/zinc/08/15/54/559081554.db2.gz MVOCCBUZTHPTOI-IBGZPJMESA-N 2 1 403.523 2.849 50 0 HFAAMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000057158906 568824777 /nfs/dbraw/zinc/82/47/77/568824777.db2.gz KRLOBGJBTYNMDD-DEOSSOPVSA-N 2 1 409.574 2.807 50 0 HFAAMP CC(C)[C@H](CNC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000045534089 519815529 /nfs/dbraw/zinc/81/55/29/519815529.db2.gz REKIIGUCKXKXRH-NRFANRHFSA-N 2 1 417.598 2.887 50 0 HFAAMP CCOc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000020149524 558340408 /nfs/dbraw/zinc/34/04/08/558340408.db2.gz LHWRSBXGDJMJRZ-QFIPXVFZSA-N 2 1 419.610 2.835 50 0 HFAAMP CCOc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000020149524 558340410 /nfs/dbraw/zinc/34/04/10/558340410.db2.gz LHWRSBXGDJMJRZ-QFIPXVFZSA-N 2 1 419.610 2.835 50 0 HFAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(OCCO)cc2)CC1 ZINC000012448147 558415321 /nfs/dbraw/zinc/41/53/21/558415321.db2.gz SYPNJFAABCPHTM-UHFFFAOYSA-N 2 1 413.562 2.813 50 0 HFAAMP COc1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012591930 558436140 /nfs/dbraw/zinc/43/61/40/558436140.db2.gz JLNUTBFPLYLVOM-NRFANRHFSA-N 2 1 416.566 2.595 50 0 HFAAMP COc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012591930 558436142 /nfs/dbraw/zinc/43/61/42/558436142.db2.gz JLNUTBFPLYLVOM-NRFANRHFSA-N 2 1 416.566 2.595 50 0 HFAAMP CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CC[NH+](CC)CC1 ZINC000023374618 558553946 /nfs/dbraw/zinc/55/39/46/558553946.db2.gz DRVRPSRYLCFQJZ-QFIPXVFZSA-N 2 1 418.601 2.566 50 0 HFAAMP CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)C[NH+]1CCC(O)CC1 ZINC000014974155 558688671 /nfs/dbraw/zinc/68/86/71/558688671.db2.gz FMCJJYBORPIZNJ-UHFFFAOYSA-N 2 1 407.986 2.510 50 0 HFAAMP Cc1cccc(N2CC[NH+](CCNC(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)c1C ZINC000033129037 558882883 /nfs/dbraw/zinc/88/28/83/558882883.db2.gz NABDENDCLXWXLE-UHFFFAOYSA-N 2 1 421.589 2.853 50 0 HFAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH]n1 ZINC000082091588 559036901 /nfs/dbraw/zinc/03/69/01/559036901.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 2 1 409.578 2.753 50 0 HFAAMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH]n1 ZINC000082091588 559036903 /nfs/dbraw/zinc/03/69/03/559036903.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 2 1 409.578 2.753 50 0 HFAAMP O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670439910 568889652 /nfs/dbraw/zinc/88/96/52/568889652.db2.gz RTGJEPZUNMKERY-XMMPIXPASA-N 2 1 407.558 2.822 50 0 HFAAMP O=C(NCC[NH+]1CCCC[C@@H]1CO)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000670439910 568889655 /nfs/dbraw/zinc/88/96/55/568889655.db2.gz RTGJEPZUNMKERY-XMMPIXPASA-N 2 1 407.558 2.822 50 0 HFAAMP O=C(NCC[NH+]1CCCC[C@@H]1CO)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000670439910 568889658 /nfs/dbraw/zinc/88/96/58/568889658.db2.gz RTGJEPZUNMKERY-XMMPIXPASA-N 2 1 407.558 2.822 50 0 HFAAMP COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C[NH+]1CCCCC1 ZINC000012713866 568915723 /nfs/dbraw/zinc/91/57/23/568915723.db2.gz QPNRIWUTQRHWLB-NRFANRHFSA-N 2 1 413.606 2.827 50 0 HFAAMP C[NH+]1CCC(N2CC[N@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000104487228 569008936 /nfs/dbraw/zinc/00/89/36/569008936.db2.gz QUSMPWLUHSTKSC-OAQYLSRUSA-N 2 1 402.970 2.851 50 0 HFAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000104487228 569008937 /nfs/dbraw/zinc/00/89/37/569008937.db2.gz QUSMPWLUHSTKSC-OAQYLSRUSA-N 2 1 402.970 2.851 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1csnn1 ZINC000011844575 558289297 /nfs/dbraw/zinc/28/92/97/558289297.db2.gz MTJDEDQJMVXVPQ-INIZCTEOSA-N 2 1 405.543 2.593 50 0 HFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C(=O)OC)c1 ZINC000011879044 558293645 /nfs/dbraw/zinc/29/36/45/558293645.db2.gz UKKLUZLCSINITF-UHFFFAOYSA-N 2 1 401.551 2.742 50 0 HFAAMP CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000011951797 558303029 /nfs/dbraw/zinc/30/30/29/558303029.db2.gz RODHAJJLZCTLEZ-QHCPKHFHSA-N 2 1 422.573 2.521 50 0 HFAAMP CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000011951797 558303032 /nfs/dbraw/zinc/30/30/32/558303032.db2.gz RODHAJJLZCTLEZ-QHCPKHFHSA-N 2 1 422.573 2.521 50 0 HFAAMP C[NH+]1CCC(N2CC[N@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000020166067 558342853 /nfs/dbraw/zinc/34/28/53/558342853.db2.gz QUSMPWLUHSTKSC-NRFANRHFSA-N 2 1 402.970 2.851 50 0 HFAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000020166067 558342856 /nfs/dbraw/zinc/34/28/56/558342856.db2.gz QUSMPWLUHSTKSC-NRFANRHFSA-N 2 1 402.970 2.851 50 0 HFAAMP COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012701797 558448018 /nfs/dbraw/zinc/44/80/18/558448018.db2.gz RPXMKHMNWZDDIF-JOCHJYFZSA-N 2 1 424.545 2.622 50 0 HFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012713168 558453821 /nfs/dbraw/zinc/45/38/21/558453821.db2.gz ANGIFAHOYUQBOM-UHFFFAOYSA-N 2 1 401.551 2.726 50 0 HFAAMP O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000015073889 558714762 /nfs/dbraw/zinc/71/47/62/558714762.db2.gz ZHLKCROGWOCPGI-HXUWFJFHSA-N 2 1 408.546 2.635 50 0 HFAAMP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421037 558821026 /nfs/dbraw/zinc/82/10/26/558821026.db2.gz QCZIJXAQAUVFCU-QHCPKHFHSA-N 2 1 400.611 2.603 50 0 HFAAMP Cn1cc(CC[NH2+]Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019224578 558852634 /nfs/dbraw/zinc/85/26/34/558852634.db2.gz WBWPETXPBKZMJY-XMMPIXPASA-N 2 1 420.557 2.550 50 0 HFAAMP CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479547 558902340 /nfs/dbraw/zinc/90/23/40/558902340.db2.gz AUDOMFITSXACRV-NRFANRHFSA-N 2 1 409.578 2.787 50 0 HFAAMP CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479547 558902343 /nfs/dbraw/zinc/90/23/43/558902343.db2.gz AUDOMFITSXACRV-NRFANRHFSA-N 2 1 409.578 2.787 50 0 HFAAMP COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)OC1=O ZINC000072426144 558978802 /nfs/dbraw/zinc/97/88/02/558978802.db2.gz RNXJXLRXFLRCDJ-UHFFFAOYSA-N 2 1 413.921 2.844 50 0 HFAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)OC1=O ZINC000072426144 558978806 /nfs/dbraw/zinc/97/88/06/558978806.db2.gz RNXJXLRXFLRCDJ-UHFFFAOYSA-N 2 1 413.921 2.844 50 0 HFAAMP CCC[C@H]([NH3+])C(=O)N1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077393220 559003717 /nfs/dbraw/zinc/00/37/17/559003717.db2.gz TUSQDDHXNXWVRD-IBGZPJMESA-N 2 1 408.587 2.582 50 0 HFAAMP [NH3+]C[C@H]1CCN(C(=O)C2CC[NH+](C3CCN(CCCc4ccccc4)CC3)CC2)C1 ZINC000082127211 559039828 /nfs/dbraw/zinc/03/98/28/559039828.db2.gz RZPNDYYOBZNRAO-JOCHJYFZSA-N 2 1 412.622 2.603 50 0 HFAAMP [NH3+]C[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1 ZINC000082127211 559039830 /nfs/dbraw/zinc/03/98/30/559039830.db2.gz RZPNDYYOBZNRAO-JOCHJYFZSA-N 2 1 412.622 2.603 50 0 HFAAMP COC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091621045 559072440 /nfs/dbraw/zinc/07/24/40/559072440.db2.gz ZDPINOKCHZMYGH-NRFANRHFSA-N 2 1 413.606 2.871 50 0 HFAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cccc3nonc31)C2 ZINC000095354193 559079659 /nfs/dbraw/zinc/07/96/59/559079659.db2.gz IRMKBPBRSNBVBM-KNKQGSTJSA-N 2 1 400.523 2.562 50 0 HFAAMP Cc1nccn1CC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508161 559083489 /nfs/dbraw/zinc/08/34/89/559083489.db2.gz AEWWZRYAEOKVOC-QFIPXVFZSA-N 2 1 400.567 2.939 50 0 HFAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508161 559083491 /nfs/dbraw/zinc/08/34/91/559083491.db2.gz AEWWZRYAEOKVOC-QFIPXVFZSA-N 3 1 400.567 2.939 50 0 HFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095508161 559083492 /nfs/dbraw/zinc/08/34/92/559083492.db2.gz AEWWZRYAEOKVOC-QFIPXVFZSA-N 3 1 400.567 2.939 50 0 HFAAMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000229888321 569040699 /nfs/dbraw/zinc/04/06/99/569040699.db2.gz ZMDAOSIFNHGXNV-CRAIPNDOSA-N 2 1 410.356 2.963 50 0 HFAAMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000229888321 569040700 /nfs/dbraw/zinc/04/07/00/569040700.db2.gz ZMDAOSIFNHGXNV-CRAIPNDOSA-N 2 1 410.356 2.963 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)CC1 ZINC000020452645 558366747 /nfs/dbraw/zinc/36/67/47/558366747.db2.gz DXFBONKKLHMOLG-QHCPKHFHSA-N 2 1 411.594 2.614 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)CC1 ZINC000020452645 558366750 /nfs/dbraw/zinc/36/67/50/558366750.db2.gz DXFBONKKLHMOLG-QHCPKHFHSA-N 2 1 411.594 2.614 50 0 HFAAMP COc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000019146917 558846829 /nfs/dbraw/zinc/84/68/29/558846829.db2.gz FOOWJMHHSASREZ-JOCHJYFZSA-N 2 1 416.562 2.770 50 0 HFAAMP COc1ccc(C[NH+](CCO)Cc2ccccc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000019146917 558846831 /nfs/dbraw/zinc/84/68/31/558846831.db2.gz FOOWJMHHSASREZ-JOCHJYFZSA-N 2 1 416.562 2.770 50 0 HFAAMP COc1ccc(C[NH+](CCO)Cc2ccccc2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000019146917 558846833 /nfs/dbraw/zinc/84/68/33/558846833.db2.gz FOOWJMHHSASREZ-JOCHJYFZSA-N 2 1 416.562 2.770 50 0 HFAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3cc(C)c(C)cc3C)CC2)OC1=O ZINC000072430537 558979443 /nfs/dbraw/zinc/97/94/43/558979443.db2.gz HATFFOBASHJNON-UHFFFAOYSA-N 2 1 403.567 2.977 50 0 HFAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH]n1 ZINC000082091586 559036918 /nfs/dbraw/zinc/03/69/18/559036918.db2.gz AMIAABFNFJQKSX-OAQYLSRUSA-N 2 1 409.578 2.753 50 0 HFAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH]n1 ZINC000082091586 559036920 /nfs/dbraw/zinc/03/69/20/559036920.db2.gz AMIAABFNFJQKSX-OAQYLSRUSA-N 2 1 409.578 2.753 50 0 HFAAMP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082121277 559039533 /nfs/dbraw/zinc/03/95/33/559039533.db2.gz NEJJLSHWTZFPTA-JOCHJYFZSA-N 2 1 413.606 2.827 50 0 HFAAMP O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082121277 559039536 /nfs/dbraw/zinc/03/95/36/559039536.db2.gz NEJJLSHWTZFPTA-JOCHJYFZSA-N 2 1 413.606 2.827 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1[nH]c(C)cc1C ZINC000011813838 559260309 /nfs/dbraw/zinc/26/03/09/559260309.db2.gz FZSCIEGFKCUOSD-NRFANRHFSA-N 2 1 404.599 2.916 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)CC1 ZINC000104322767 569008382 /nfs/dbraw/zinc/00/83/82/569008382.db2.gz WBZPKMDWPKCNFW-XMMPIXPASA-N 2 1 411.594 2.614 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019835728 558292805 /nfs/dbraw/zinc/29/28/05/558292805.db2.gz WBZPKMDWPKCNFW-DEOSSOPVSA-N 2 1 411.594 2.614 50 0 HFAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)CC1 ZINC000023375312 558554915 /nfs/dbraw/zinc/55/49/15/558554915.db2.gz KEFYBFXZWINWRX-JOCHJYFZSA-N 2 1 415.553 2.535 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](CCc3ccccc3)C2)cn1 ZINC000014539704 558659409 /nfs/dbraw/zinc/65/94/09/558659409.db2.gz YCYQTHQGYUGDDQ-XZOQPEGZSA-N 2 1 424.589 2.627 50 0 HFAAMP Cc1cccc(C[N@@H+]2CC=C(c3noc(CCC(=O)NCC[NH+]4CCCC4)n3)CC2)c1 ZINC000033069246 558865857 /nfs/dbraw/zinc/86/58/57/558865857.db2.gz MAILNULYTWBYCK-UHFFFAOYSA-N 2 1 423.561 2.812 50 0 HFAAMP O=C(C[N@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccco1 ZINC000057991177 558892675 /nfs/dbraw/zinc/89/26/75/558892675.db2.gz VDNOLBGVTHUUJP-QFIPXVFZSA-N 2 1 424.545 2.982 50 0 HFAAMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091391000 559071411 /nfs/dbraw/zinc/07/14/11/559071411.db2.gz AVPYROJJJWRXJG-GOSISDBHSA-N 2 1 413.566 2.529 50 0 HFAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cc(C(C)=O)cn1C)C2 ZINC000095374631 559080386 /nfs/dbraw/zinc/08/03/86/559080386.db2.gz UXUNZBWVZRZIGT-XPNTWCBSSA-N 2 1 403.567 2.567 50 0 HFAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511453 559083923 /nfs/dbraw/zinc/08/39/23/559083923.db2.gz GLZZBMUDNLLUCO-QFIPXVFZSA-N 2 1 401.595 2.830 50 0 HFAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511453 559083930 /nfs/dbraw/zinc/08/39/30/559083930.db2.gz GLZZBMUDNLLUCO-QFIPXVFZSA-N 2 1 401.595 2.830 50 0 HFAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511453 559083931 /nfs/dbraw/zinc/08/39/31/559083931.db2.gz GLZZBMUDNLLUCO-QFIPXVFZSA-N 2 1 401.595 2.830 50 0 HFAAMP CCOc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C)CC2)s1 ZINC000020942847 568652999 /nfs/dbraw/zinc/65/29/99/568652999.db2.gz YVGXSWDUAOQILW-UHFFFAOYSA-N 2 1 412.563 2.769 50 0 HFAAMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C1 ZINC000095947536 568665170 /nfs/dbraw/zinc/66/51/70/568665170.db2.gz FSYUFJPGQWHLDD-GMAHTHKFSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000095947536 568665173 /nfs/dbraw/zinc/66/51/73/568665173.db2.gz FSYUFJPGQWHLDD-GMAHTHKFSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000095947536 568665176 /nfs/dbraw/zinc/66/51/76/568665176.db2.gz FSYUFJPGQWHLDD-GMAHTHKFSA-N 2 1 420.557 2.987 50 0 HFAAMP COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011879587 558294329 /nfs/dbraw/zinc/29/43/29/558294329.db2.gz SXBGUTOUCKLHNR-NRFANRHFSA-N 2 1 416.562 2.675 50 0 HFAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C)on2)C1 ZINC000012073734 558318687 /nfs/dbraw/zinc/31/86/87/558318687.db2.gz UWQIVFMGGIMAMT-IBGZPJMESA-N 2 1 414.550 2.908 50 0 HFAAMP C[C@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012305447 558374499 /nfs/dbraw/zinc/37/44/99/558374499.db2.gz NALSPWWOPASWLQ-HXUWFJFHSA-N 2 1 421.589 2.900 50 0 HFAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1 ZINC000022851335 558516957 /nfs/dbraw/zinc/51/69/57/558516957.db2.gz UWPAJAQAMJEPGR-FQEVSTJZSA-N 2 1 403.592 2.724 50 0 HFAAMP Cc1nnsc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014961131 558684119 /nfs/dbraw/zinc/68/41/19/558684119.db2.gz DTQPCTXZTXHBSB-QGZVFWFLSA-N 2 1 419.570 2.902 50 0 HFAAMP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cc2)CC1 ZINC000095531750 559087079 /nfs/dbraw/zinc/08/70/79/559087079.db2.gz DWFJADBHJBRDTB-QFIPXVFZSA-N 2 1 403.611 2.932 50 0 HFAAMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000084037474 568933290 /nfs/dbraw/zinc/93/32/90/568933290.db2.gz ZMDAOSIFNHGXNV-QAPCUYQASA-N 2 1 410.356 2.963 50 0 HFAAMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000084037474 568933291 /nfs/dbraw/zinc/93/32/91/568933291.db2.gz ZMDAOSIFNHGXNV-QAPCUYQASA-N 2 1 410.356 2.963 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)CC1 ZINC000104526085 569008942 /nfs/dbraw/zinc/00/89/42/569008942.db2.gz XTLWVZOVNBAYFT-XMMPIXPASA-N 2 1 411.594 2.614 50 0 HFAAMP COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011821071 558284290 /nfs/dbraw/zinc/28/42/90/558284290.db2.gz SLRNYMMSWKXDJI-FQEVSTJZSA-N 2 1 401.551 2.811 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000011947361 558302361 /nfs/dbraw/zinc/30/23/61/558302361.db2.gz LOZVEKPLYJRKJR-INIZCTEOSA-N 2 1 405.543 2.593 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000012582842 558433077 /nfs/dbraw/zinc/43/30/77/558433077.db2.gz HTHQTTGSZQJNSC-NRFANRHFSA-N 2 1 424.593 2.860 50 0 HFAAMP COC(=O)CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012746095 558458193 /nfs/dbraw/zinc/45/81/93/558458193.db2.gz JKSURTGOKNTPAJ-IBGZPJMESA-N 2 1 421.557 2.771 50 0 HFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cn2ccsc2n1 ZINC000023338020 558550037 /nfs/dbraw/zinc/55/00/37/558550037.db2.gz KUIGPPJYHRWSEB-UHFFFAOYSA-N 2 1 403.596 2.593 50 0 HFAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C(=O)c1ccccc1 ZINC000014959574 558683569 /nfs/dbraw/zinc/68/35/69/558683569.db2.gz ITJMJRGNTMGKJH-QFIPXVFZSA-N 2 1 415.578 2.541 50 0 HFAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH+](C)Cc1ccsc1)C2 ZINC000019143719 558846426 /nfs/dbraw/zinc/84/64/26/558846426.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 2 1 415.607 2.732 50 0 HFAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000019143719 558846428 /nfs/dbraw/zinc/84/64/28/558846428.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 2 1 415.607 2.732 50 0 HFAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000019143719 558846429 /nfs/dbraw/zinc/84/64/29/558846429.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 2 1 415.607 2.732 50 0 HFAAMP O=C(C[N@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccco1 ZINC000057991179 558892583 /nfs/dbraw/zinc/89/25/83/558892583.db2.gz VDNOLBGVTHUUJP-JOCHJYFZSA-N 2 1 424.545 2.982 50 0 HFAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071385512 558897374 /nfs/dbraw/zinc/89/73/74/558897374.db2.gz SOKSRKIKTSKPKE-SFHVURJKSA-N 2 1 400.571 2.600 50 0 HFAAMP CC(C)Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071385512 558897377 /nfs/dbraw/zinc/89/73/77/558897377.db2.gz SOKSRKIKTSKPKE-SFHVURJKSA-N 2 1 400.571 2.600 50 0 HFAAMP CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479546 558902385 /nfs/dbraw/zinc/90/23/85/558902385.db2.gz AUDOMFITSXACRV-OAQYLSRUSA-N 2 1 409.578 2.787 50 0 HFAAMP CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479546 558902387 /nfs/dbraw/zinc/90/23/87/558902387.db2.gz AUDOMFITSXACRV-OAQYLSRUSA-N 2 1 409.578 2.787 50 0 HFAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098700 559037984 /nfs/dbraw/zinc/03/79/84/559037984.db2.gz LTFQCNBMMXUEAM-QHCPKHFHSA-N 2 1 413.606 2.636 50 0 HFAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCC(CO)CC1 ZINC000082098700 559037986 /nfs/dbraw/zinc/03/79/86/559037986.db2.gz LTFQCNBMMXUEAM-QHCPKHFHSA-N 2 1 413.606 2.636 50 0 HFAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000095364028 559080043 /nfs/dbraw/zinc/08/00/43/559080043.db2.gz ULBDUQQMTBHWPA-XPNTWCBSSA-N 2 1 402.583 2.939 50 0 HFAAMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000040111541 571169709 /nfs/dbraw/zinc/16/97/09/571169709.db2.gz ASZYEQFOBPDPEN-UHFFFAOYSA-N 2 1 422.573 2.846 50 0 HFAAMP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000011819396 132351214 /nfs/dbraw/zinc/35/12/14/132351214.db2.gz UIIBOQCGONNDKW-NRFANRHFSA-N 2 1 409.578 2.957 50 0 HFAAMP CC[N@H+]1CCC[C@@H](N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1 ZINC000020539601 521617849 /nfs/dbraw/zinc/61/78/49/521617849.db2.gz UYFOORLWEJBFIG-OAQYLSRUSA-N 2 1 416.610 2.648 50 0 HFAAMP CCN1CCC[C@@H]([NH+]2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1 ZINC000020539601 521617850 /nfs/dbraw/zinc/61/78/50/521617850.db2.gz UYFOORLWEJBFIG-OAQYLSRUSA-N 2 1 416.610 2.648 50 0 HFAAMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000019744834 558265547 /nfs/dbraw/zinc/26/55/47/558265547.db2.gz BBWLWMXHQKDJQW-RTWAWAEBSA-N 2 1 407.002 2.881 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)CO)CC2)CC1 ZINC000011709947 558271155 /nfs/dbraw/zinc/27/11/55/558271155.db2.gz GHZGVJOPEREGMG-UHFFFAOYSA-N 2 1 401.595 2.806 50 0 HFAAMP CCC[N@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)CC1CC1 ZINC000011842103 558287448 /nfs/dbraw/zinc/28/74/48/558287448.db2.gz ZLJVLUGZSLBOQG-OAQYLSRUSA-N 2 1 406.567 2.514 50 0 HFAAMP CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000011933265 558297834 /nfs/dbraw/zinc/29/78/34/558297834.db2.gz FILXFYYEKCCXRN-JOCHJYFZSA-N 2 1 409.578 2.896 50 0 HFAAMP CCn1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000011933265 558297837 /nfs/dbraw/zinc/29/78/37/558297837.db2.gz FILXFYYEKCCXRN-JOCHJYFZSA-N 2 1 409.578 2.896 50 0 HFAAMP CC(C)[NH+]1CCC(N2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)CC1 ZINC000020449917 558365100 /nfs/dbraw/zinc/36/51/00/558365100.db2.gz HBFSNTJTUBYXHF-VWLOTQADSA-N 2 1 414.638 2.897 50 0 HFAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)C2CCCCC2)c1 ZINC000012455586 558417092 /nfs/dbraw/zinc/41/70/92/558417092.db2.gz RTEWLXLGZFCDIX-OAQYLSRUSA-N 2 1 406.567 2.656 50 0 HFAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852924 558517205 /nfs/dbraw/zinc/51/72/05/558517205.db2.gz WKGLPHKYIXGYTP-HSZRJFAPSA-N 2 1 415.553 2.835 50 0 HFAAMP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852923 558517302 /nfs/dbraw/zinc/51/73/02/558517302.db2.gz WKGLPHKYIXGYTP-QHCPKHFHSA-N 2 1 415.553 2.835 50 0 HFAAMP COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014981262 558691517 /nfs/dbraw/zinc/69/15/17/558691517.db2.gz CHGHRFINSZUERU-HXUWFJFHSA-N 2 1 408.583 2.808 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015070678 558712527 /nfs/dbraw/zinc/71/25/27/558712527.db2.gz ABZYDPZFFPYBQF-FQEVSTJZSA-N 2 1 417.575 2.511 50 0 HFAAMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000058175431 558909218 /nfs/dbraw/zinc/90/92/18/558909218.db2.gz ZZLPOMOWJMOVTR-BGYRXZFFSA-N 2 1 402.583 2.686 50 0 HFAAMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000058175431 558909220 /nfs/dbraw/zinc/90/92/20/558909220.db2.gz ZZLPOMOWJMOVTR-BGYRXZFFSA-N 2 1 402.583 2.686 50 0 HFAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072422124 558978677 /nfs/dbraw/zinc/97/86/77/558978677.db2.gz CFGINOSGGXPPTC-NRFANRHFSA-N 2 1 401.551 2.627 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082106922 559038364 /nfs/dbraw/zinc/03/83/64/559038364.db2.gz VWZISELRCJTGMF-HSZRJFAPSA-N 2 1 412.622 2.603 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082106922 559038365 /nfs/dbraw/zinc/03/83/65/559038365.db2.gz VWZISELRCJTGMF-HSZRJFAPSA-N 3 1 412.622 2.603 50 0 HFAAMP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082106922 559038366 /nfs/dbraw/zinc/03/83/66/559038366.db2.gz VWZISELRCJTGMF-HSZRJFAPSA-N 3 1 412.622 2.603 50 0 HFAAMP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511454 559084066 /nfs/dbraw/zinc/08/40/66/559084066.db2.gz GLZZBMUDNLLUCO-JOCHJYFZSA-N 2 1 401.595 2.830 50 0 HFAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511454 559084070 /nfs/dbraw/zinc/08/40/70/559084070.db2.gz GLZZBMUDNLLUCO-JOCHJYFZSA-N 2 1 401.595 2.830 50 0 HFAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+]3CCC4(CCCC4)C3)c2)CC1 ZINC000095511454 559084072 /nfs/dbraw/zinc/08/40/72/559084072.db2.gz GLZZBMUDNLLUCO-JOCHJYFZSA-N 2 1 401.595 2.830 50 0 HFAAMP COc1cc(C[N@H+](C)Cc2c(C)noc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095516499 559084665 /nfs/dbraw/zinc/08/46/65/559084665.db2.gz SGYTZTNBEZWEDT-IBGZPJMESA-N 2 1 403.523 2.768 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2c(C)noc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095516499 559084667 /nfs/dbraw/zinc/08/46/67/559084667.db2.gz SGYTZTNBEZWEDT-IBGZPJMESA-N 2 1 403.523 2.768 50 0 HFAAMP CC(C)OCC(=O)N(Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095522024 559085455 /nfs/dbraw/zinc/08/54/55/559085455.db2.gz UZGWKIVBXCOMDA-UHFFFAOYSA-N 2 1 402.583 2.641 50 0 HFAAMP O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1 ZINC000670439907 568889814 /nfs/dbraw/zinc/88/98/14/568889814.db2.gz RTGJEPZUNMKERY-DEOSSOPVSA-N 2 1 407.558 2.822 50 0 HFAAMP O=C(NCC[NH+]1CCCC[C@H]1CO)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000670439907 568889816 /nfs/dbraw/zinc/88/98/16/568889816.db2.gz RTGJEPZUNMKERY-DEOSSOPVSA-N 2 1 407.558 2.822 50 0 HFAAMP O=C(NCC[NH+]1CCCC[C@H]1CO)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000670439907 568889818 /nfs/dbraw/zinc/88/98/18/568889818.db2.gz RTGJEPZUNMKERY-DEOSSOPVSA-N 2 1 407.558 2.822 50 0 HFAAMP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012912255 569021793 /nfs/dbraw/zinc/02/17/93/569021793.db2.gz DDAJJQYXETXIEP-HSZRJFAPSA-N 2 1 420.557 2.728 50 0 HFAAMP O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012912255 569021794 /nfs/dbraw/zinc/02/17/94/569021794.db2.gz DDAJJQYXETXIEP-HSZRJFAPSA-N 2 1 420.557 2.728 50 0 HFAAMP Cc1cnc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051370 558314178 /nfs/dbraw/zinc/31/41/78/558314178.db2.gz IMQUJJZIFWMHIX-QHCPKHFHSA-N 2 1 406.530 2.947 50 0 HFAAMP Cc1cnc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051370 558314179 /nfs/dbraw/zinc/31/41/79/558314179.db2.gz IMQUJJZIFWMHIX-QHCPKHFHSA-N 2 1 406.530 2.947 50 0 HFAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccccc2OCCO)CC1 ZINC000012432898 558406946 /nfs/dbraw/zinc/40/69/46/558406946.db2.gz GJQJHPNNHIZMKB-UHFFFAOYSA-N 2 1 413.562 2.813 50 0 HFAAMP CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014948183 558680202 /nfs/dbraw/zinc/68/02/02/558680202.db2.gz RJLNEHAIYHOJHS-FQEVSTJZSA-N 2 1 407.986 2.775 50 0 HFAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCOCC1 ZINC000014948183 558680204 /nfs/dbraw/zinc/68/02/04/558680204.db2.gz RJLNEHAIYHOJHS-FQEVSTJZSA-N 2 1 407.986 2.775 50 0 HFAAMP COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)c1OC ZINC000072410950 558977799 /nfs/dbraw/zinc/97/77/99/558977799.db2.gz MDNUJCMXSOCPMP-HSZRJFAPSA-N 2 1 401.551 2.613 50 0 HFAAMP COc1cccc(CN2CCC[C@]3(CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)c1OC ZINC000072410950 558977801 /nfs/dbraw/zinc/97/78/01/558977801.db2.gz MDNUJCMXSOCPMP-HSZRJFAPSA-N 2 1 401.551 2.613 50 0 HFAAMP Cc1cccc(C[NH+]2CCC3(CN(CCC[N@H+]4CC[C@H](N(C)C)C4)C(=O)O3)CC2)c1 ZINC000072430144 558979440 /nfs/dbraw/zinc/97/94/40/558979440.db2.gz WWIOURAPJDVRLX-QFIPXVFZSA-N 2 1 414.594 2.808 50 0 HFAAMP Cc1cccc(C[NH+]2CCC3(CN(CCC[N@@H+]4CC[C@H](N(C)C)C4)C(=O)O3)CC2)c1 ZINC000072430144 558979441 /nfs/dbraw/zinc/97/94/41/558979441.db2.gz WWIOURAPJDVRLX-QFIPXVFZSA-N 2 1 414.594 2.808 50 0 HFAAMP O=C(NCc1ccncn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082127384 559040032 /nfs/dbraw/zinc/04/00/32/559040032.db2.gz CEUKSRSKPYBDNA-OAQYLSRUSA-N 2 1 407.562 2.512 50 0 HFAAMP O=C(NCc1ccncn1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082127384 559040034 /nfs/dbraw/zinc/04/00/34/559040034.db2.gz CEUKSRSKPYBDNA-OAQYLSRUSA-N 2 1 407.562 2.512 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082146964 559040889 /nfs/dbraw/zinc/04/08/89/559040889.db2.gz YMNVLNSDKNSQTM-JOCHJYFZSA-N 2 1 412.622 2.616 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082146964 559040890 /nfs/dbraw/zinc/04/08/90/559040890.db2.gz YMNVLNSDKNSQTM-JOCHJYFZSA-N 3 1 412.622 2.616 50 0 HFAAMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000082146964 559040891 /nfs/dbraw/zinc/04/08/91/559040891.db2.gz YMNVLNSDKNSQTM-JOCHJYFZSA-N 3 1 412.622 2.616 50 0 HFAAMP COc1cc(C[N@H+](C)Cc2c(C)noc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095516498 559084432 /nfs/dbraw/zinc/08/44/32/559084432.db2.gz SGYTZTNBEZWEDT-LJQANCHMSA-N 2 1 403.523 2.768 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2c(C)noc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095516498 559084433 /nfs/dbraw/zinc/08/44/33/559084433.db2.gz SGYTZTNBEZWEDT-LJQANCHMSA-N 2 1 403.523 2.768 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC000011820497 132351071 /nfs/dbraw/zinc/35/10/71/132351071.db2.gz RANQSXNRTFHOMZ-NRFANRHFSA-N 2 1 410.537 2.972 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC000011820497 132351072 /nfs/dbraw/zinc/35/10/72/132351072.db2.gz RANQSXNRTFHOMZ-NRFANRHFSA-N 2 1 410.537 2.972 50 0 HFAAMP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000011819395 132351092 /nfs/dbraw/zinc/35/10/92/132351092.db2.gz UIIBOQCGONNDKW-OAQYLSRUSA-N 2 1 409.578 2.957 50 0 HFAAMP CC(C)[C@@H](CNC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000045534087 519794552 /nfs/dbraw/zinc/79/45/52/519794552.db2.gz REKIIGUCKXKXRH-OAQYLSRUSA-N 2 1 417.598 2.887 50 0 HFAAMP COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1 ZINC000012162059 558342010 /nfs/dbraw/zinc/34/20/10/558342010.db2.gz QFZMVJIPHFJTFP-NRFANRHFSA-N 2 1 415.578 2.752 50 0 HFAAMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012305444 558374407 /nfs/dbraw/zinc/37/44/07/558374407.db2.gz NALSPWWOPASWLQ-FQEVSTJZSA-N 2 1 421.589 2.900 50 0 HFAAMP COc1ccc(C[NH2+]CCn2cccn2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012592689 558436388 /nfs/dbraw/zinc/43/63/88/558436388.db2.gz VYUNRSJLKOMHLY-QFIPXVFZSA-N 2 1 424.545 2.553 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C[NH+]1CCCCC1 ZINC000012835640 558478158 /nfs/dbraw/zinc/47/81/58/558478158.db2.gz SZJQMWLWHKNGBO-NRFANRHFSA-N 3 1 418.601 2.914 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CN1CCCCC1 ZINC000012835640 558478161 /nfs/dbraw/zinc/47/81/61/558478161.db2.gz SZJQMWLWHKNGBO-NRFANRHFSA-N 2 1 418.601 2.914 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CN1CCCCC1 ZINC000012835640 558478164 /nfs/dbraw/zinc/47/81/64/558478164.db2.gz SZJQMWLWHKNGBO-NRFANRHFSA-N 2 1 418.601 2.914 50 0 HFAAMP C[NH+]1CCC(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000082134504 559040011 /nfs/dbraw/zinc/04/00/11/559040011.db2.gz DBVDSWFFNGOBHA-QFIPXVFZSA-N 2 1 412.622 2.616 50 0 HFAAMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)on1 ZINC000091690019 559072947 /nfs/dbraw/zinc/07/29/47/559072947.db2.gz VKXPEKDDCPOGMI-OAQYLSRUSA-N 2 1 422.573 2.943 50 0 HFAAMP CN1CC[N@H+](C)Cc2ccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)cc21 ZINC000095464822 568622703 /nfs/dbraw/zinc/62/27/03/568622703.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[N@@H+](C)Cc2ccc(NC(=O)C[C@@H]3C[NH+](Cc4ccccc4)CCO3)cc21 ZINC000095464822 568622706 /nfs/dbraw/zinc/62/27/06/568622706.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[NH+](C)Cc2ccc(NC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc21 ZINC000095464822 568622710 /nfs/dbraw/zinc/62/27/10/568622710.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 2 1 408.546 2.798 50 0 HFAAMP CN1CC[NH+](C)Cc2ccc(NC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc21 ZINC000095464822 568622712 /nfs/dbraw/zinc/62/27/12/568622712.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 2 1 408.546 2.798 50 0 HFAAMP O=C(NC[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1 ZINC000097021067 568766440 /nfs/dbraw/zinc/76/64/40/568766440.db2.gz RPDGSOZTXCSYJL-UZLBHIALSA-N 2 1 413.953 2.877 50 0 HFAAMP C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000239412535 569054302 /nfs/dbraw/zinc/05/43/02/569054302.db2.gz SUXCVKYOWFEMAD-LRSLUSHPSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C)cc1 ZINC000239412535 569054303 /nfs/dbraw/zinc/05/43/03/569054303.db2.gz SUXCVKYOWFEMAD-LRSLUSHPSA-N 2 1 420.594 2.915 50 0 HFAAMP C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[NH+]2CCCC[C@@H]2C)cc1 ZINC000239412535 569054304 /nfs/dbraw/zinc/05/43/04/569054304.db2.gz SUXCVKYOWFEMAD-LRSLUSHPSA-N 2 1 420.594 2.915 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000244595017 569056110 /nfs/dbraw/zinc/05/61/10/569056110.db2.gz DMXWRNSWEQLEGV-ZLNRFVROSA-N 3 1 412.622 2.792 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000244595017 569056111 /nfs/dbraw/zinc/05/61/11/569056111.db2.gz DMXWRNSWEQLEGV-ZLNRFVROSA-N 3 1 412.622 2.792 50 0 HFAAMP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000244595017 569056112 /nfs/dbraw/zinc/05/61/12/569056112.db2.gz DMXWRNSWEQLEGV-ZLNRFVROSA-N 3 1 412.622 2.792 50 0 HFAAMP C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437549 132359929 /nfs/dbraw/zinc/35/99/29/132359929.db2.gz GBFZFUHGTVCVGS-QHCPKHFHSA-N 2 1 418.585 2.800 50 0 HFAAMP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]CC2(N3CCCCC3)CCCC2)c1 ZINC000032516111 524969712 /nfs/dbraw/zinc/96/97/12/524969712.db2.gz BATMBJSGKJQTPP-OAQYLSRUSA-N 2 1 419.610 2.885 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1csnn1 ZINC000011844574 558289311 /nfs/dbraw/zinc/28/93/11/558289311.db2.gz MTJDEDQJMVXVPQ-MRXNPFEDSA-N 2 1 405.543 2.593 50 0 HFAAMP CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000011951802 558303087 /nfs/dbraw/zinc/30/30/87/558303087.db2.gz RODHAJJLZCTLEZ-HSZRJFAPSA-N 2 1 422.573 2.521 50 0 HFAAMP CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000011951802 558303090 /nfs/dbraw/zinc/30/30/90/558303090.db2.gz RODHAJJLZCTLEZ-HSZRJFAPSA-N 2 1 422.573 2.521 50 0 HFAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1 ZINC000091663470 559072856 /nfs/dbraw/zinc/07/28/56/559072856.db2.gz GRROLAWQPDYBIY-JOCHJYFZSA-N 2 1 411.590 2.579 50 0 HFAAMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023290920 559078922 /nfs/dbraw/zinc/07/89/22/559078922.db2.gz DOWMSSYSBVUUIS-UHFFFAOYSA-N 2 1 406.574 2.585 50 0 HFAAMP O=C(NC[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1 ZINC000108460474 568418985 /nfs/dbraw/zinc/41/89/85/568418985.db2.gz RPDGSOZTXCSYJL-OXQOHEQNSA-N 2 1 413.953 2.877 50 0 HFAAMP CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303642 568464933 /nfs/dbraw/zinc/46/49/33/568464933.db2.gz OIZXIMDHAYLGQN-XMMPIXPASA-N 2 1 420.557 2.991 50 0 HFAAMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301045 569054691 /nfs/dbraw/zinc/05/46/91/569054691.db2.gz LPXQSVWLHAXJQZ-JUXOCIIHSA-N 2 1 403.542 2.909 50 0 HFAAMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301045 569054692 /nfs/dbraw/zinc/05/46/92/569054692.db2.gz LPXQSVWLHAXJQZ-JUXOCIIHSA-N 2 1 403.542 2.909 50 0 HFAAMP COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011709702 558271190 /nfs/dbraw/zinc/27/11/90/558271190.db2.gz CYVWIBKRTRKKHH-JOCHJYFZSA-N 2 1 424.545 2.590 50 0 HFAAMP CSc1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012457922 558418026 /nfs/dbraw/zinc/41/80/26/558418026.db2.gz OJXOXMOMKUYOAJ-KRWDZBQOSA-N 2 1 405.612 2.743 50 0 HFAAMP CSc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cn1 ZINC000012457922 558418028 /nfs/dbraw/zinc/41/80/28/558418028.db2.gz OJXOXMOMKUYOAJ-KRWDZBQOSA-N 2 1 405.612 2.743 50 0 HFAAMP COc1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012591936 558436087 /nfs/dbraw/zinc/43/60/87/558436087.db2.gz JLNUTBFPLYLVOM-OAQYLSRUSA-N 2 1 416.566 2.595 50 0 HFAAMP COc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012591936 558436088 /nfs/dbraw/zinc/43/60/88/558436088.db2.gz JLNUTBFPLYLVOM-OAQYLSRUSA-N 2 1 416.566 2.595 50 0 HFAAMP COC(=O)CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012746092 558458019 /nfs/dbraw/zinc/45/80/19/558458019.db2.gz JKSURTGOKNTPAJ-LJQANCHMSA-N 2 1 421.557 2.771 50 0 HFAAMP Cc1c[nH]c(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000015080411 558718737 /nfs/dbraw/zinc/71/87/37/558718737.db2.gz SMNAXMLCXGSDKS-OAQYLSRUSA-N 2 1 409.578 2.753 50 0 HFAAMP Cc1c[nH]c(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000015080411 558718740 /nfs/dbraw/zinc/71/87/40/558718740.db2.gz SMNAXMLCXGSDKS-OAQYLSRUSA-N 2 1 409.578 2.753 50 0 HFAAMP CCOc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)ccc1OC ZINC000039508438 558821998 /nfs/dbraw/zinc/82/19/98/558821998.db2.gz LHWRSBXGDJMJRZ-JOCHJYFZSA-N 2 1 419.610 2.835 50 0 HFAAMP CCOc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)ccc1OC ZINC000039508438 558822000 /nfs/dbraw/zinc/82/20/00/558822000.db2.gz LHWRSBXGDJMJRZ-JOCHJYFZSA-N 2 1 419.610 2.835 50 0 HFAAMP Cn1cc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000019224574 558852331 /nfs/dbraw/zinc/85/23/31/558852331.db2.gz WBWPETXPBKZMJY-DEOSSOPVSA-N 2 1 420.557 2.550 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCCC3)CC2)CC1 ZINC000019225402 558852549 /nfs/dbraw/zinc/85/25/49/558852549.db2.gz PNSOUNOYXNUHMA-UHFFFAOYSA-N 3 1 412.622 2.883 50 0 HFAAMP O[C@H](COc1cccc(C[NH2+]CCN2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779383 568643798 /nfs/dbraw/zinc/64/37/98/568643798.db2.gz IGAKWZHHHRCZGA-DEOSSOPVSA-N 2 1 409.574 2.670 50 0 HFAAMP O[C@H](COc1cccc(CNCC[NH+]2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000020779383 568643801 /nfs/dbraw/zinc/64/38/01/568643801.db2.gz IGAKWZHHHRCZGA-DEOSSOPVSA-N 2 1 409.574 2.670 50 0 HFAAMP O[C@H](COc1cccc(CNCC[NH+]2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779383 568643804 /nfs/dbraw/zinc/64/38/04/568643804.db2.gz IGAKWZHHHRCZGA-DEOSSOPVSA-N 2 1 409.574 2.670 50 0 HFAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)o2)C1 ZINC000096281081 568671691 /nfs/dbraw/zinc/67/16/91/568671691.db2.gz DTQAEKNWJBZCGI-LJQANCHMSA-N 2 1 418.582 2.576 50 0 HFAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)o2)C1 ZINC000096281082 568671867 /nfs/dbraw/zinc/67/18/67/568671867.db2.gz DTQAEKNWJBZCGI-IBGZPJMESA-N 2 1 418.582 2.576 50 0 HFAAMP COc1ccccc1/C=C/C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020600492 524320098 /nfs/dbraw/zinc/32/00/98/524320098.db2.gz ALAKGOKTMPRCPG-DRGXBFSJSA-N 2 1 401.595 2.950 50 0 HFAAMP COc1ccccc1/C=C/C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020600492 524320111 /nfs/dbraw/zinc/32/01/11/524320111.db2.gz ALAKGOKTMPRCPG-DRGXBFSJSA-N 2 1 401.595 2.950 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/c1ccco1 ZINC000011816461 558279765 /nfs/dbraw/zinc/27/97/65/558279765.db2.gz WPMKECIBUNBAMM-MHNQQFQPSA-N 2 1 403.567 2.964 50 0 HFAAMP C[C@@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000011821410 558284797 /nfs/dbraw/zinc/28/47/97/558284797.db2.gz PGIYQEKYBXSAAR-FQEVSTJZSA-N 2 1 421.589 2.900 50 0 HFAAMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000011936839 558300761 /nfs/dbraw/zinc/30/07/61/558300761.db2.gz MUUAUYBXLYIADO-NRFANRHFSA-N 2 1 401.576 2.892 50 0 HFAAMP C[N@@H+](CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012092367 558324528 /nfs/dbraw/zinc/32/45/28/558324528.db2.gz CVDFPDBWJMDWRC-NRFANRHFSA-N 2 1 408.608 2.724 50 0 HFAAMP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1cccc(Cl)c1 ZINC000023363185 558552594 /nfs/dbraw/zinc/55/25/94/558552594.db2.gz GPLJESZNHDEDAR-RTWAWAEBSA-N 2 1 407.002 2.835 50 0 HFAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]CCc4ccco4)CC3)cc2)CC1 ZINC000014888302 558677763 /nfs/dbraw/zinc/67/77/63/558677763.db2.gz SNHZFYKRUWYQBP-UHFFFAOYSA-N 2 1 410.562 2.858 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000055072825 558871537 /nfs/dbraw/zinc/87/15/37/558871537.db2.gz YLQKHEALYBWQCA-DEOSSOPVSA-N 3 1 412.622 2.834 50 0 HFAAMP CCN(CCOC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091602838 559072315 /nfs/dbraw/zinc/07/23/15/559072315.db2.gz AXPBCGOOVYSESQ-JOCHJYFZSA-N 2 1 413.606 2.825 50 0 HFAAMP O[C@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011817785 559260451 /nfs/dbraw/zinc/26/04/51/559260451.db2.gz MZCLLPOTHSHWHF-DEOSSOPVSA-N 2 1 420.557 2.861 50 0 HFAAMP CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1 ZINC000012303641 568464837 /nfs/dbraw/zinc/46/48/37/568464837.db2.gz OIZXIMDHAYLGQN-DEOSSOPVSA-N 2 1 420.557 2.991 50 0 HFAAMP CC[NH+](CC)CCc1ccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000170612073 569246418 /nfs/dbraw/zinc/24/64/18/569246418.db2.gz RNBNBKPHLZYHDQ-QFIPXVFZSA-N 2 1 403.615 2.964 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(OC)o1 ZINC000011934582 558298884 /nfs/dbraw/zinc/29/88/84/558298884.db2.gz VHIYSWWWEATYKJ-LJQANCHMSA-N 2 1 407.555 2.573 50 0 HFAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccc(CO)o3)Cc3ccncc3)CC2)CC1 ZINC000012302140 558371723 /nfs/dbraw/zinc/37/17/23/558371723.db2.gz UPQMAIHPSKFVBD-UHFFFAOYSA-N 2 1 412.578 2.975 50 0 HFAAMP O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000015073890 558714746 /nfs/dbraw/zinc/71/47/46/558714746.db2.gz ZHLKCROGWOCPGI-FQEVSTJZSA-N 2 1 408.546 2.635 50 0 HFAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH+](C)Cc1ccsc1)C2 ZINC000019143724 558846462 /nfs/dbraw/zinc/84/64/62/558846462.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 2 1 415.607 2.732 50 0 HFAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000019143724 558846464 /nfs/dbraw/zinc/84/64/64/558846464.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 2 1 415.607 2.732 50 0 HFAAMP CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000019143724 558846465 /nfs/dbraw/zinc/84/64/65/558846465.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 2 1 415.607 2.732 50 0 HFAAMP O=C(NC[C@@H]1CCC[NH2+]1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082091864 559037142 /nfs/dbraw/zinc/03/71/42/559037142.db2.gz DWEZXJACRCSKPP-QHCPKHFHSA-N 2 1 412.622 2.664 50 0 HFAAMP Cc1ccccc1N1CCC([N@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)CC1 ZINC000091966335 559074802 /nfs/dbraw/zinc/07/48/02/559074802.db2.gz IBJYDIRQJIVHAV-QPPBQGQZSA-N 2 1 401.595 2.759 50 0 HFAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(NC(C)C)cc[nH+]1)C2 ZINC000095356613 559079848 /nfs/dbraw/zinc/07/98/48/559079848.db2.gz QMCZWZULWFOLQV-KNKQGSTJSA-N 2 1 403.571 2.641 50 0 HFAAMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3)C2)CC1 ZINC000095500291 559082087 /nfs/dbraw/zinc/08/20/87/559082087.db2.gz MABUPBVCTYOKBQ-JOCHJYFZSA-N 3 1 401.595 2.830 50 0 HFAAMP O[C@@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000011817784 559260446 /nfs/dbraw/zinc/26/04/46/559260446.db2.gz MZCLLPOTHSHWHF-XMMPIXPASA-N 2 1 420.557 2.861 50 0 HFAAMP COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1O ZINC000011999651 559270552 /nfs/dbraw/zinc/27/05/52/559270552.db2.gz IEEBVOMNPRWQSE-GOSISDBHSA-N 2 1 403.567 2.946 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000249698661 569255426 /nfs/dbraw/zinc/25/54/26/569255426.db2.gz WAKNLWWSCDEJDY-IEBWSBKVSA-N 2 1 400.571 2.648 50 0 HFAAMP C[NH+](C)CCNC(=O)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684595 557387708 /nfs/dbraw/zinc/38/77/08/557387708.db2.gz ACKFOXFIURATAD-UHFFFAOYSA-N 2 1 400.954 2.954 50 0 HFAAMP CCn1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000011933266 558297957 /nfs/dbraw/zinc/29/79/57/558297957.db2.gz FILXFYYEKCCXRN-QFIPXVFZSA-N 2 1 409.578 2.896 50 0 HFAAMP CCn1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000011933266 558297959 /nfs/dbraw/zinc/29/79/59/558297959.db2.gz FILXFYYEKCCXRN-QFIPXVFZSA-N 2 1 409.578 2.896 50 0 HFAAMP CCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH+]1 ZINC000011936570 558300419 /nfs/dbraw/zinc/30/04/19/558300419.db2.gz BTPMDGNLWZRHEO-UHFFFAOYSA-N 2 1 424.593 2.668 50 0 HFAAMP Cc1cnc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051366 558314158 /nfs/dbraw/zinc/31/41/58/558314158.db2.gz IMQUJJZIFWMHIX-HSZRJFAPSA-N 2 1 406.530 2.947 50 0 HFAAMP Cc1cnc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000012051366 558314160 /nfs/dbraw/zinc/31/41/60/558314160.db2.gz IMQUJJZIFWMHIX-HSZRJFAPSA-N 2 1 406.530 2.947 50 0 HFAAMP C[C@H](Cc1cccnc1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000020205100 558346350 /nfs/dbraw/zinc/34/63/50/558346350.db2.gz UKDJOMJHWHCTHT-HXUWFJFHSA-N 2 1 421.589 2.900 50 0 HFAAMP COc1ccc(C[NH+]2CCC(O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012463898 558419892 /nfs/dbraw/zinc/41/98/92/558419892.db2.gz DFNOKCSPYOFKSG-QFIPXVFZSA-N 2 1 414.546 2.524 50 0 HFAAMP COc1ccc(C[NH2+]C2CCCCCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020998837 558427968 /nfs/dbraw/zinc/42/79/68/558427968.db2.gz TVDGWIZMDXNYNM-JOCHJYFZSA-N 2 1 419.610 2.885 50 0 HFAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CO)C(C)C)CC2)CC1 ZINC000012715153 558454576 /nfs/dbraw/zinc/45/45/76/558454576.db2.gz CKFONHYFXKWNQW-HSZRJFAPSA-N 2 1 401.595 2.805 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@@H+](CC(C)C)C2)cn1 ZINC000014753228 558671395 /nfs/dbraw/zinc/67/13/95/558671395.db2.gz JBJPZUCCBGAGMR-BDTNDASRSA-N 2 1 416.610 2.963 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@@H+]3C)C[NH+](CC(C)C)C2)cn1 ZINC000014753228 558671398 /nfs/dbraw/zinc/67/13/98/558671398.db2.gz JBJPZUCCBGAGMR-BDTNDASRSA-N 2 1 416.610 2.963 50 0 HFAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[N@H+]3C)C[NH+](CC(C)C)C2)cn1 ZINC000014753228 558671399 /nfs/dbraw/zinc/67/13/99/558671399.db2.gz JBJPZUCCBGAGMR-BDTNDASRSA-N 2 1 416.610 2.963 50 0 HFAAMP CC[NH+](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000014951620 558681176 /nfs/dbraw/zinc/68/11/76/558681176.db2.gz XHDNWSWSAQGAJP-OAQYLSRUSA-N 3 1 418.626 2.639 50 0 HFAAMP Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)cn1 ZINC000019334179 558869438 /nfs/dbraw/zinc/86/94/38/558869438.db2.gz XZGFAQISEKNZJD-DEOSSOPVSA-N 2 1 422.573 2.966 50 0 HFAAMP Cn1cc(CC[NH+](C)Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cn1 ZINC000019334179 558869442 /nfs/dbraw/zinc/86/94/42/558869442.db2.gz XZGFAQISEKNZJD-DEOSSOPVSA-N 2 1 422.573 2.966 50 0 HFAAMP Cn1cc(CC[NH+](C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cn1 ZINC000019334179 558869445 /nfs/dbraw/zinc/86/94/45/558869445.db2.gz XZGFAQISEKNZJD-DEOSSOPVSA-N 2 1 422.573 2.966 50 0 HFAAMP CCCC[N@@H+](CC)CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048228 558884595 /nfs/dbraw/zinc/88/45/95/558884595.db2.gz LSSWAIZUMLVZQN-UHFFFAOYSA-N 2 1 418.611 2.603 50 0 HFAAMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000058175432 558909201 /nfs/dbraw/zinc/90/92/01/558909201.db2.gz ZZLPOMOWJMOVTR-PMACEKPBSA-N 2 1 402.583 2.686 50 0 HFAAMP O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082109349 559038855 /nfs/dbraw/zinc/03/88/55/559038855.db2.gz WHQAGXXUFBHUHG-HSZRJFAPSA-N 2 1 413.606 2.948 50 0 HFAAMP O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082109349 559038856 /nfs/dbraw/zinc/03/88/56/559038856.db2.gz WHQAGXXUFBHUHG-HSZRJFAPSA-N 2 1 413.606 2.948 50 0 HFAAMP Cc1cc2[nH]c(C(=O)NCCC[NH+]3CCOCC3)c(C[NH+]3CCCCC3)c2s1 ZINC000065138915 569183884 /nfs/dbraw/zinc/18/38/84/569183884.db2.gz COXSCMAXMDQUPP-UHFFFAOYSA-N 2 1 404.580 2.976 50 0 HFAAMP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000079478639 569431577 /nfs/dbraw/zinc/43/15/77/569431577.db2.gz CAQKZFLUIOFING-UHFFFAOYSA-N 2 1 424.589 2.785 50 0 HFAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC(OC)CC4)CC3)cc2)CC1 ZINC000014996085 132460906 /nfs/dbraw/zinc/46/09/06/132460906.db2.gz FHEKTJWHIOWFRW-UHFFFAOYSA-N 2 1 414.594 2.544 50 0 HFAAMP COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020536218 524069588 /nfs/dbraw/zinc/06/95/88/524069588.db2.gz LXXHBLPKFICASK-JOCHJYFZSA-N 2 1 417.594 2.662 50 0 HFAAMP COc1cc(C[N@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015064814 557850653 /nfs/dbraw/zinc/85/06/53/557850653.db2.gz LQJXCSLYPLQOIZ-IBGZPJMESA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[N@@H+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015064814 557850654 /nfs/dbraw/zinc/85/06/54/557850654.db2.gz LQJXCSLYPLQOIZ-IBGZPJMESA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015064814 557850655 /nfs/dbraw/zinc/85/06/55/557850655.db2.gz LQJXCSLYPLQOIZ-IBGZPJMESA-N 2 1 404.555 2.747 50 0 HFAAMP COc1cc(C[NH+](C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015064814 557850656 /nfs/dbraw/zinc/85/06/56/557850656.db2.gz LQJXCSLYPLQOIZ-IBGZPJMESA-N 2 1 404.555 2.747 50 0 HFAAMP CN1CCC([NH+]2CCC(C[N@@H+](CCCn3cccn3)Cc3ccncc3)CC2)CC1 ZINC000011817349 558280750 /nfs/dbraw/zinc/28/07/50/558280750.db2.gz CFWFLPWDDJCGIM-UHFFFAOYSA-N 2 1 410.610 2.977 50 0 HFAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](CCCn3cccn3)Cc3ccncc3)CC2)CC1 ZINC000011817349 558280753 /nfs/dbraw/zinc/28/07/53/558280753.db2.gz CFWFLPWDDJCGIM-UHFFFAOYSA-N 3 1 410.610 2.977 50 0 HFAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](CCCn3cccn3)Cc3ccncc3)CC2)CC1 ZINC000011817349 558280755 /nfs/dbraw/zinc/28/07/55/558280755.db2.gz CFWFLPWDDJCGIM-UHFFFAOYSA-N 3 1 410.610 2.977 50 0 HFAAMP COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020208105 558347247 /nfs/dbraw/zinc/34/72/47/558347247.db2.gz IWHPPFALAUJSMY-QFIPXVFZSA-N 2 1 419.610 2.742 50 0 HFAAMP C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000020877921 558419706 /nfs/dbraw/zinc/41/97/06/558419706.db2.gz FSNPXHDTNUMOIT-UHFFFAOYSA-N 2 1 423.001 2.569 50 0 HFAAMP COc1ccc(C[NH+]2CCC(O)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012463901 558419913 /nfs/dbraw/zinc/41/99/13/558419913.db2.gz DFNOKCSPYOFKSG-JOCHJYFZSA-N 2 1 414.546 2.524 50 0 HFAAMP COc1ccc(C[NH2+]C2CCCCCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000020998835 558427931 /nfs/dbraw/zinc/42/79/31/558427931.db2.gz TVDGWIZMDXNYNM-QFIPXVFZSA-N 2 1 419.610 2.885 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C[NH+]1CCCCC1 ZINC000012835638 558478100 /nfs/dbraw/zinc/47/81/00/558478100.db2.gz SZJQMWLWHKNGBO-OAQYLSRUSA-N 3 1 418.601 2.914 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CN1CCCCC1 ZINC000012835638 558478102 /nfs/dbraw/zinc/47/81/02/558478102.db2.gz SZJQMWLWHKNGBO-OAQYLSRUSA-N 2 1 418.601 2.914 50 0 HFAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CN1CCCCC1 ZINC000012835638 558478104 /nfs/dbraw/zinc/47/81/04/558478104.db2.gz SZJQMWLWHKNGBO-OAQYLSRUSA-N 2 1 418.601 2.914 50 0 HFAAMP CC[NH+](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000014951625 558681238 /nfs/dbraw/zinc/68/12/38/558681238.db2.gz XHDNWSWSAQGAJP-NRFANRHFSA-N 3 1 418.626 2.639 50 0 HFAAMP COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014981260 558691754 /nfs/dbraw/zinc/69/17/54/558691754.db2.gz CHGHRFINSZUERU-FQEVSTJZSA-N 2 1 408.583 2.808 50 0 HFAAMP Cc1c[nH]c(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000015080415 558718674 /nfs/dbraw/zinc/71/86/74/558718674.db2.gz SMNAXMLCXGSDKS-NRFANRHFSA-N 2 1 409.578 2.753 50 0 HFAAMP Cc1c[nH]c(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000015080415 558718678 /nfs/dbraw/zinc/71/86/78/558718678.db2.gz SMNAXMLCXGSDKS-NRFANRHFSA-N 2 1 409.578 2.753 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082107185 559038437 /nfs/dbraw/zinc/03/84/37/559038437.db2.gz HIRLMPOTUSVEON-QHCPKHFHSA-N 2 1 412.622 2.521 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082107185 559038439 /nfs/dbraw/zinc/03/84/39/559038439.db2.gz HIRLMPOTUSVEON-QHCPKHFHSA-N 3 1 412.622 2.521 50 0 HFAAMP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082107185 559038440 /nfs/dbraw/zinc/03/84/40/559038440.db2.gz HIRLMPOTUSVEON-QHCPKHFHSA-N 3 1 412.622 2.521 50 0 HFAAMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C1 ZINC000250642102 559276654 /nfs/dbraw/zinc/27/66/54/559276654.db2.gz FSYUFJPGQWHLDD-FYYLOGMGSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)C1 ZINC000250642102 559276656 /nfs/dbraw/zinc/27/66/56/559276656.db2.gz FSYUFJPGQWHLDD-FYYLOGMGSA-N 2 1 420.557 2.987 50 0 HFAAMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)C1 ZINC000250642102 559276658 /nfs/dbraw/zinc/27/66/58/559276658.db2.gz FSYUFJPGQWHLDD-FYYLOGMGSA-N 2 1 420.557 2.987 50 0 HFAAMP CC[N@@H+](CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2)Cc1ccccc1 ZINC000020531748 568627671 /nfs/dbraw/zinc/62/76/71/568627671.db2.gz AKGPOEPNMAGERE-UHFFFAOYSA-N 2 1 413.562 2.743 50 0 biogenic HFAAMP O=C1CO[C@H](CNc2[nH+]ccc3ccccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299799473 568876520 /nfs/dbraw/zinc/87/65/20/568876520.db2.gz GOPXHBXEVOSERO-OAQYLSRUSA-N 2 1 408.546 2.996 50 0 HFAAMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301047 569054680 /nfs/dbraw/zinc/05/46/80/569054680.db2.gz LPXQSVWLHAXJQZ-ZWCUEREDSA-N 2 1 403.542 2.909 50 0 HFAAMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000241301047 569054681 /nfs/dbraw/zinc/05/46/81/569054681.db2.gz LPXQSVWLHAXJQZ-ZWCUEREDSA-N 2 1 403.542 2.909 50 0 HFAAMP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055185 /nfs/dbraw/zinc/05/51/85/569055185.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 1 424.574 2.906 50 0 HFAAMP CN1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055186 /nfs/dbraw/zinc/05/51/86/569055186.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 1 424.574 2.906 50 0 HFAAMP COc1ccc(/C=C/C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019794345 558283561 /nfs/dbraw/zinc/28/35/61/558283561.db2.gz KODRBOFEFKNKTJ-OIUIXCLQSA-N 2 1 401.595 2.950 50 0 HFAAMP COc1ccc(/C=C/C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019794345 558283564 /nfs/dbraw/zinc/28/35/64/558283564.db2.gz KODRBOFEFKNKTJ-OIUIXCLQSA-N 2 1 401.595 2.950 50 0 HFAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1CCOCC1 ZINC000011874630 558292280 /nfs/dbraw/zinc/29/22/80/558292280.db2.gz WXPFLWQTBYSCLW-IBGZPJMESA-N 2 1 405.558 2.855 50 0 HFAAMP CN1CC[NH+](CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020201702 558346083 /nfs/dbraw/zinc/34/60/83/558346083.db2.gz QJJIOAMLTLQHFU-XMMPIXPASA-N 2 1 404.643 2.909 50 0 HFAAMP C[NH+]1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000020201702 558346085 /nfs/dbraw/zinc/34/60/85/558346085.db2.gz QJJIOAMLTLQHFU-XMMPIXPASA-N 2 1 404.643 2.909 50 0 HFAAMP C[NH+]1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000020201702 558346086 /nfs/dbraw/zinc/34/60/86/558346086.db2.gz QJJIOAMLTLQHFU-XMMPIXPASA-N 2 1 404.643 2.909 50 0 HFAAMP COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012317210 558380358 /nfs/dbraw/zinc/38/03/58/558380358.db2.gz TUUZZQNHQLOXQX-JOCHJYFZSA-N 2 1 424.545 2.553 50 0 HFAAMP CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1Cc1cccc2ccccc21 ZINC000020996426 558426878 /nfs/dbraw/zinc/42/68/78/558426878.db2.gz CCBNQOVRCZGXRM-VWNXMTODSA-N 2 1 408.590 2.991 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000012582838 558433127 /nfs/dbraw/zinc/43/31/27/558433127.db2.gz HTHQTTGSZQJNSC-OAQYLSRUSA-N 2 1 424.593 2.860 50 0 HFAAMP COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012701784 558447907 /nfs/dbraw/zinc/44/79/07/558447907.db2.gz RPXMKHMNWZDDIF-QFIPXVFZSA-N 2 1 424.545 2.622 50 0 HFAAMP Cc1nn(C)cc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000013596785 558547345 /nfs/dbraw/zinc/54/73/45/558547345.db2.gz YBAVFJACUUJXRI-QHCPKHFHSA-N 2 1 408.546 2.890 50 0 HFAAMP C[NH+]1CCC(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000082134507 559039982 /nfs/dbraw/zinc/03/99/82/559039982.db2.gz DBVDSWFFNGOBHA-JOCHJYFZSA-N 2 1 412.622 2.616 50 0 HFAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000011708935 559241502 /nfs/dbraw/zinc/24/15/02/559241502.db2.gz OOPFEMHRNYWOEP-LJQANCHMSA-N 2 1 405.612 2.791 50 0 HFAAMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000229888314 569040670 /nfs/dbraw/zinc/04/06/70/569040670.db2.gz ZMDAOSIFNHGXNV-MAUKXSAKSA-N 2 1 410.356 2.963 50 0 HFAAMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000229888314 569040671 /nfs/dbraw/zinc/04/06/71/569040671.db2.gz ZMDAOSIFNHGXNV-MAUKXSAKSA-N 2 1 410.356 2.963 50 0 HFAAMP CC[NH+](CC)CCc1ccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000170612074 569246414 /nfs/dbraw/zinc/24/64/14/569246414.db2.gz RNBNBKPHLZYHDQ-JOCHJYFZSA-N 2 1 403.615 2.964 50 0 HFAAMP COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)C1 ZINC000670472543 571094502 /nfs/dbraw/zinc/09/45/02/571094502.db2.gz NSHNKXDBBZQQOZ-NRFANRHFSA-N 2 1 407.558 2.943 50 0 HFAAMP COCC[NH+]1CC[C@@H](CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000670472543 571094505 /nfs/dbraw/zinc/09/45/05/571094505.db2.gz NSHNKXDBBZQQOZ-NRFANRHFSA-N 2 1 407.558 2.943 50 0 HFAAMP COCC[NH+]1CC[C@@H](CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)C1 ZINC000670472543 571094508 /nfs/dbraw/zinc/09/45/08/571094508.db2.gz NSHNKXDBBZQQOZ-NRFANRHFSA-N 2 1 407.558 2.943 50 0 HFAAMP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000040103961 571164770 /nfs/dbraw/zinc/16/47/70/571164770.db2.gz JEDLRKTWPSAFLT-FQEVSTJZSA-N 2 1 417.598 2.697 50 0 HFAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCN(C)CC1 ZINC000019836608 558292834 /nfs/dbraw/zinc/29/28/34/558292834.db2.gz PNEGWEVADMJMFM-NRFANRHFSA-N 2 1 421.029 2.690 50 0 HFAAMP CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CC[NH+](C)CC1 ZINC000019836608 558292837 /nfs/dbraw/zinc/29/28/37/558292837.db2.gz PNEGWEVADMJMFM-NRFANRHFSA-N 2 1 421.029 2.690 50 0 HFAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CC[NH+](C)CC1 ZINC000019836608 558292838 /nfs/dbraw/zinc/29/28/38/558292838.db2.gz PNEGWEVADMJMFM-NRFANRHFSA-N 2 1 421.029 2.690 50 0 HFAAMP COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011879588 558294239 /nfs/dbraw/zinc/29/42/39/558294239.db2.gz SXBGUTOUCKLHNR-OAQYLSRUSA-N 2 1 416.562 2.675 50 0 HFAAMP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020452137 558366311 /nfs/dbraw/zinc/36/63/11/558366311.db2.gz UUSCNXCKOPEGFS-QFIPXVFZSA-N 2 1 405.631 2.822 50 0 HFAAMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020452137 558366312 /nfs/dbraw/zinc/36/63/12/558366312.db2.gz UUSCNXCKOPEGFS-QFIPXVFZSA-N 2 1 405.631 2.822 50 0 HFAAMP COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012317209 558380414 /nfs/dbraw/zinc/38/04/14/558380414.db2.gz TUUZZQNHQLOXQX-QFIPXVFZSA-N 2 1 424.545 2.553 50 0 HFAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCc2n[nH]cc2C1 ZINC000012445951 558414087 /nfs/dbraw/zinc/41/40/87/558414087.db2.gz DSFUYRQAQYBHRS-FQEVSTJZSA-N 2 1 407.562 2.671 50 0 HFAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCc2n[nH]cc2C1 ZINC000012445951 558414090 /nfs/dbraw/zinc/41/40/90/558414090.db2.gz DSFUYRQAQYBHRS-FQEVSTJZSA-N 2 1 407.562 2.671 50 0 HFAAMP COc1ccc(C[NH2+]CCn2cccn2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012592693 558436331 /nfs/dbraw/zinc/43/63/31/558436331.db2.gz VYUNRSJLKOMHLY-JOCHJYFZSA-N 2 1 424.545 2.553 50 0 HFAAMP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091391001 559071429 /nfs/dbraw/zinc/07/14/29/559071429.db2.gz AVPYROJJJWRXJG-SFHVURJKSA-N 2 1 413.566 2.529 50 0 HFAAMP O=C(NC1CCOCC1)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000092001363 559075021 /nfs/dbraw/zinc/07/50/21/559075021.db2.gz XSVIMFFTUFXJNI-NRFANRHFSA-N 2 1 411.590 2.625 50 0 HFAAMP