smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)COc3ccccc3)CC2)cs1 ZINC000225464478 291218950 /nfs/dbraw/zinc/21/89/50/291218950.db2.gz FKIZKBIFXKADRY-UHFFFAOYSA-N 1 1 403.548 2.874 40 0 biogenic,in-vitro HFABMO CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880790 291217777 /nfs/dbraw/zinc/21/77/77/291217777.db2.gz ZUJYHTFNWOXMIK-FKBYEOEOSA-N 1 1 412.578 2.830 40 0 biogenic,in-vitro HFABMO COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000012185153 132356163 /nfs/dbraw/zinc/35/61/63/132356163.db2.gz FUUHYYVGNZRROZ-MRXNPFEDSA-N 1 1 422.529 2.849 40 0 HFABMO COc1ccc2c3c1O[C@H]1[C@@]34CC[N@H+](C)[C@@H](C2)[C@@]42CC[C@]1(OC)c1c(O)ccc(O)c12 ZINC000004962187 557617487 /nfs/dbraw/zinc/61/74/87/557617487.db2.gz YZNGNRIKFYLUTN-LSBQCCANSA-N 1 1 421.493 2.953 40 0 HFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 ZINC000019741297 558262083 /nfs/dbraw/zinc/26/20/83/558262083.db2.gz KMRZDWFIJLZRNO-GOSISDBHSA-N 1 1 408.550 2.896 40 0 HFABMO Cc1nc([C@H]2CCC[N@@H+](CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741640 558262265 /nfs/dbraw/zinc/26/22/65/558262265.db2.gz CDZXKRZKFMYYDG-FQEVSTJZSA-N 1 1 408.546 2.869 40 0 HFABMO CS(=O)(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000012087212 558321999 /nfs/dbraw/zinc/32/19/99/558321999.db2.gz XPUVMFPINUGKRC-QFIPXVFZSA-N 1 1 400.544 2.918 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020106525 558333686 /nfs/dbraw/zinc/33/36/86/558333686.db2.gz PFTVTYSKNQXMQW-NRFANRHFSA-N 1 1 421.607 2.997 40 0 HFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(F)c2F)C3)c(OC)n1 ZINC000012181018 558342693 /nfs/dbraw/zinc/34/26/93/558342693.db2.gz ONXQMEFBPYDAKL-YLQYIJTPSA-N 1 1 405.445 2.892 40 0 HFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cccc(F)c2F)C3)c(OC)n1 ZINC000012181018 558342694 /nfs/dbraw/zinc/34/26/94/558342694.db2.gz ONXQMEFBPYDAKL-YLQYIJTPSA-N 1 1 405.445 2.892 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(F)c1 ZINC000012181028 558342730 /nfs/dbraw/zinc/34/27/30/558342730.db2.gz AILMATPYZXGZQK-XVQYUUQNSA-N 1 1 417.481 2.761 40 0 HFABMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)C[NH+]3CCCCC3)[C@@H]2C(C)C)cc1 ZINC000020368112 558358781 /nfs/dbraw/zinc/35/87/81/558358781.db2.gz AOTICUSQQDCENT-WIYYLYMNSA-N 1 1 407.580 2.684 40 0 HFABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000012407240 558398429 /nfs/dbraw/zinc/39/84/29/558398429.db2.gz YKQDIJZVIHRGJV-IUOOBWKPSA-N 1 1 411.502 2.547 40 0 HFABMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000022587158 558499970 /nfs/dbraw/zinc/49/99/70/558499970.db2.gz GIZNKRABTUYBJH-OAQYLSRUSA-N 1 1 411.546 2.608 40 0 HFABMO Cc1ccc([C@H](C)[NH+]2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)cc1 ZINC000022922429 558522492 /nfs/dbraw/zinc/52/24/92/558522492.db2.gz DWNHJVMHWYQPCF-ICSRJNTNSA-N 1 1 413.591 2.931 40 0 HFABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccnn2C)c1 ZINC000036743742 558802532 /nfs/dbraw/zinc/80/25/32/558802532.db2.gz KUSWNVFZKMHWHC-LEWJYISDSA-N 1 1 420.513 2.835 40 0 HFABMO CCCNS(=O)(=O)c1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740522 558803271 /nfs/dbraw/zinc/80/32/71/558803271.db2.gz ICBBXYPFMWGOOJ-UHFFFAOYSA-N 1 1 410.565 2.799 40 0 HFABMO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211958 558848608 /nfs/dbraw/zinc/84/86/08/558848608.db2.gz XFWBVZLYKTZAPZ-OGWHTMIXSA-N 1 1 400.548 2.665 40 0 HFABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211958 558848609 /nfs/dbraw/zinc/84/86/09/558848609.db2.gz XFWBVZLYKTZAPZ-OGWHTMIXSA-N 1 1 400.548 2.665 40 0 HFABMO COc1ccccc1-c1ccccc1C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCNC1=O ZINC000019290704 558863006 /nfs/dbraw/zinc/86/30/06/558863006.db2.gz MBFZAJMCLPMTIM-HXUWFJFHSA-N 1 1 404.514 2.886 40 0 HFABMO O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019406115 558885179 /nfs/dbraw/zinc/88/51/79/558885179.db2.gz IPLGQSSSQVAVMV-FQEVSTJZSA-N 1 1 424.549 2.823 40 0 HFABMO CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520309 558901316 /nfs/dbraw/zinc/90/13/16/558901316.db2.gz WTPGNTWKGYLFRW-AQFXKWCLSA-N 1 1 422.595 2.648 40 0 HFABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](CC2=CCCOC2)C3)c(OCC)n1 ZINC000019531619 558912092 /nfs/dbraw/zinc/91/20/92/558912092.db2.gz XMZSNDZRSSXAIN-VSOVRNOCSA-N 1 1 403.523 2.540 40 0 HFABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550619 558915190 /nfs/dbraw/zinc/91/51/90/558915190.db2.gz RIHXCBWMKMKMDO-MHECFPHRSA-N 1 1 423.513 2.890 40 0 HFABMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572048 558930501 /nfs/dbraw/zinc/93/05/01/558930501.db2.gz VDZUWCSROUUVSC-QGZVFWFLSA-N 1 1 412.559 2.814 40 0 HFABMO C[C@@H]1C[N@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1ccccc1N1CCOCC1 ZINC000072324281 558933166 /nfs/dbraw/zinc/93/31/66/558933166.db2.gz HSOGGCPBSSUYCB-RTBURBONSA-N 1 1 412.534 2.650 40 0 HFABMO C[C@@H]1C[N@@H+](Cc2ccco2)[C@H](C)CN1CC(=O)Nc1ccccc1N1CCOCC1 ZINC000072324281 558933169 /nfs/dbraw/zinc/93/31/69/558933169.db2.gz HSOGGCPBSSUYCB-RTBURBONSA-N 1 1 412.534 2.650 40 0 HFABMO Cc1cccnc1Nc1ccc([C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353278 558950133 /nfs/dbraw/zinc/95/01/33/558950133.db2.gz OMXKGMVUMZAVSP-LJQANCHMSA-N 1 1 409.534 2.957 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355247 558952472 /nfs/dbraw/zinc/95/24/72/558952472.db2.gz FJEJFRPOXGHMSZ-LJQANCHMSA-N 1 1 406.534 2.547 40 0 HFABMO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356212 558953084 /nfs/dbraw/zinc/95/30/84/558953084.db2.gz JAFVYJYPOHOMBT-LJQANCHMSA-N 1 1 412.456 2.884 40 0 HFABMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373076 558960768 /nfs/dbraw/zinc/96/07/68/558960768.db2.gz DKMFOTAVDJZKEB-DYXWJJEUSA-N 1 1 412.578 2.940 40 0 HFABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373063 558960799 /nfs/dbraw/zinc/96/07/99/558960799.db2.gz CFNKKKRZSVULGS-QRVBRYPASA-N 1 1 400.567 2.654 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373077 558960934 /nfs/dbraw/zinc/96/09/34/558960934.db2.gz BMZDMHVZCICRRQ-RTWAWAEBSA-N 1 1 420.557 2.775 40 0 HFABMO CCc1ncc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cn1 ZINC000257333403 559013414 /nfs/dbraw/zinc/01/34/14/559013414.db2.gz YBJMESQPADEKCN-FGZHOGPDSA-N 1 1 409.578 2.828 40 0 HFABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257367375 559017887 /nfs/dbraw/zinc/01/78/87/559017887.db2.gz BSYPWKCGXZDDHV-CEXWTWQISA-N 1 1 400.567 2.796 40 0 HFABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100472 559024026 /nfs/dbraw/zinc/02/40/26/559024026.db2.gz LCFIVSIKOZRHJV-NRFANRHFSA-N 1 1 404.580 2.729 40 0 HFABMO CCN(Cc1ccncc1)C(=O)[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101900 559025038 /nfs/dbraw/zinc/02/50/38/559025038.db2.gz IQSYXCGCLAIRDP-NRFANRHFSA-N 1 1 411.550 2.575 40 0 HFABMO CCN(Cc1ccncc1)C(=O)[C@H]1C[N@@H+](Cc2cnn(CC)c2)CC12CCOCC2 ZINC000585101901 559025127 /nfs/dbraw/zinc/02/51/27/559025127.db2.gz IQSYXCGCLAIRDP-OAQYLSRUSA-N 1 1 411.550 2.575 40 0 HFABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)C(C)C ZINC000585104218 559026371 /nfs/dbraw/zinc/02/63/71/559026371.db2.gz MYNZMDKKXFZPQF-OAQYLSRUSA-N 1 1 404.551 2.689 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105097 559027511 /nfs/dbraw/zinc/02/75/11/559027511.db2.gz XYJPUWQDRKLHSJ-JOCHJYFZSA-N 1 1 409.530 2.859 40 0 HFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106306 559028692 /nfs/dbraw/zinc/02/86/92/559028692.db2.gz QLGUSYUHQMULNU-QRQLOZEOSA-N 1 1 401.526 2.975 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000096056129 559094022 /nfs/dbraw/zinc/09/40/22/559094022.db2.gz MPQQCYYWMNCDQN-RDPSFJRHSA-N 1 1 408.546 2.897 40 0 HFABMO CCN1C(=O)[C@H]2C[N@@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096143598 559096012 /nfs/dbraw/zinc/09/60/12/559096012.db2.gz CKQNRMWPQGRYME-LEWJYISDSA-N 1 1 413.562 2.736 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)NCc3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144025 559096370 /nfs/dbraw/zinc/09/63/70/559096370.db2.gz IJXJOORYAKSDHA-XMMPIXPASA-N 1 1 412.578 2.799 40 0 HFABMO COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@H](C(=O)N2CC[NH+](C)CC2)C3)c1 ZINC000096264484 559107516 /nfs/dbraw/zinc/10/75/16/559107516.db2.gz YMTWNRTUPZZVEJ-IBGZPJMESA-N 1 1 412.559 2.734 40 0 HFABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271185 559116593 /nfs/dbraw/zinc/11/65/93/559116593.db2.gz SYTFVFCBQWTIIU-FQEVSTJZSA-N 1 1 411.502 2.842 40 0 HFABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282748 559120249 /nfs/dbraw/zinc/12/02/49/559120249.db2.gz NITSQZMEZPKXNZ-QHCPKHFHSA-N 1 1 404.551 2.537 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166046 /nfs/dbraw/zinc/16/60/46/559166046.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 1 1 411.571 2.656 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107816066 559166047 /nfs/dbraw/zinc/16/60/47/559166047.db2.gz BJOQEGDXVHMAMJ-NZQKXSOJSA-N 1 1 411.571 2.656 40 0 HFABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409232234 560700532 /nfs/dbraw/zinc/70/05/32/560700532.db2.gz PGPXGJRTIJCQTG-UHFFFAOYSA-N 1 1 413.543 2.944 40 0 HFABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1C ZINC000004751414 568420034 /nfs/dbraw/zinc/42/00/34/568420034.db2.gz HFSYTLKIKCDFFP-KCOOYEKVSA-N 1 1 419.456 2.874 40 0 HFABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1C ZINC000004751414 568420035 /nfs/dbraw/zinc/42/00/35/568420035.db2.gz HFSYTLKIKCDFFP-KCOOYEKVSA-N 1 1 419.456 2.874 40 0 HFABMO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)ccc21 ZINC000223867628 568561406 /nfs/dbraw/zinc/56/14/06/568561406.db2.gz ILLRKOPDLKRJDC-UHFFFAOYSA-N 1 1 424.526 2.958 40 0 HFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 ZINC000257259768 568792841 /nfs/dbraw/zinc/79/28/41/568792841.db2.gz KZWPSQRHDOYPLJ-LPHOPBHVSA-N 1 1 416.497 2.707 40 0 HFABMO COCCN1C(=O)Cc2c1nc([C@]1(C)CCC[N@@H+](Cc3scnc3C)C1)nc2C ZINC000257289030 568801331 /nfs/dbraw/zinc/80/13/31/568801331.db2.gz PWRKIVKWQQAKFP-OAQYLSRUSA-N 1 1 415.563 2.639 40 0 HFABMO O=C(C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257327822 568812472 /nfs/dbraw/zinc/81/24/72/568812472.db2.gz XCVZSCNJIQBBKW-MRXNPFEDSA-N 1 1 420.469 2.732 40 0 HFABMO O=C(C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257327822 568812474 /nfs/dbraw/zinc/81/24/74/568812474.db2.gz XCVZSCNJIQBBKW-MRXNPFEDSA-N 1 1 420.469 2.732 40 0 HFABMO CCc1ncc2c(n1)C1(CC[NH+](Cc3cccc(Cl)c3)CC1)CN(C)S2(=O)=O ZINC000306124289 568887315 /nfs/dbraw/zinc/88/73/15/568887315.db2.gz BMARHJHBRCHHAI-UHFFFAOYSA-N 1 1 420.966 2.860 40 0 HFABMO CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306125070 568887840 /nfs/dbraw/zinc/88/78/40/568887840.db2.gz CGEHQONXOYPJSU-GMAHTHKFSA-N 1 1 411.477 2.656 40 0 HFABMO COc1ccc(CN2CCO[C@@]3(C[N@H+](C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125314 568888195 /nfs/dbraw/zinc/88/81/95/568888195.db2.gz CMHACGRMSYKICE-LADGPHEKSA-N 1 1 407.514 2.840 40 0 HFABMO CC[NH+]1CCN(C(=O)c2nc(-c3cnc(NC(=O)C4CC4)s3)n3ccccc23)CC1 ZINC000306128771 568891465 /nfs/dbraw/zinc/89/14/65/568891465.db2.gz HKEORHDNAHQHDO-UHFFFAOYSA-N 1 1 424.530 2.584 40 0 HFABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306133989 568896173 /nfs/dbraw/zinc/89/61/73/568896173.db2.gz NBAVYZJDATZYAW-QHCPKHFHSA-N 1 1 422.554 2.679 40 0 HFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136340 568898075 /nfs/dbraw/zinc/89/80/75/568898075.db2.gz PQMUAVORWZQSIC-IAGOWNOFSA-N 1 1 417.469 2.563 40 0 HFABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137150 568899231 /nfs/dbraw/zinc/89/92/31/568899231.db2.gz QMQXVXDYDKHLOA-WIYYLYMNSA-N 1 1 402.564 2.990 40 0 HFABMO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)c4ccccc4)CC[C@@H]3[N@H+]2C)cc1 ZINC000306138737 568900682 /nfs/dbraw/zinc/90/06/82/568900682.db2.gz SGDSZNHKTIAZHD-HJNYFJLDSA-N 1 1 407.514 2.546 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306142006 568903522 /nfs/dbraw/zinc/90/35/22/568903522.db2.gz WMQCXBBSUCTVOW-MSOLQXFVSA-N 1 1 403.486 2.843 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144045 568905385 /nfs/dbraw/zinc/90/53/85/568905385.db2.gz YUIXZJRWCDQNIP-NOZRDPDXSA-N 1 1 414.509 2.874 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145161 568906411 /nfs/dbraw/zinc/90/64/11/568906411.db2.gz ZZUNTUDDSAEDDY-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000328967205 568970377 /nfs/dbraw/zinc/97/03/77/568970377.db2.gz CQPHLNPBKPSUTG-UHFFFAOYSA-N 1 1 413.547 2.919 40 0 HFABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000328967205 568970378 /nfs/dbraw/zinc/97/03/78/568970378.db2.gz CQPHLNPBKPSUTG-UHFFFAOYSA-N 1 1 413.547 2.919 40 0 HFABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)[nH+]1 ZINC000329024956 568973345 /nfs/dbraw/zinc/97/33/45/568973345.db2.gz PDVALSHZQQUWID-CYBMUJFWSA-N 1 1 401.536 2.775 40 0 HFABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C2CC2)n1 ZINC000329024956 568973346 /nfs/dbraw/zinc/97/33/46/568973346.db2.gz PDVALSHZQQUWID-CYBMUJFWSA-N 1 1 401.536 2.775 40 0 HFABMO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022467495 569042607 /nfs/dbraw/zinc/04/26/07/569042607.db2.gz JOZXRSYLUSCDTH-OAQYLSRUSA-N 1 1 417.937 2.856 40 0 HFABMO O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014809 569345213 /nfs/dbraw/zinc/34/52/13/569345213.db2.gz BEXGEKOKCRXIII-PXNSSMCTSA-N 1 1 414.550 2.821 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369976 569345403 /nfs/dbraw/zinc/34/54/03/569345403.db2.gz BMZDMHVZCICRRQ-LEWJYISDSA-N 1 1 420.557 2.775 40 0 HFABMO CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000019703491 569347455 /nfs/dbraw/zinc/34/74/55/569347455.db2.gz MEDBPNQJAJVAEA-XMMPIXPASA-N 1 1 424.545 2.675 40 0 HFABMO CC(=O)NCc1cnc2cc(C)nn2c1[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019704879 569347740 /nfs/dbraw/zinc/34/77/40/569347740.db2.gz SQSVLQOPCXGAJC-OAQYLSRUSA-N 1 1 418.501 2.729 40 0 HFABMO CC(=O)NCc1cnc2cc(C)nn2c1[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019704879 569347741 /nfs/dbraw/zinc/34/77/41/569347741.db2.gz SQSVLQOPCXGAJC-OAQYLSRUSA-N 1 1 418.501 2.729 40 0 HFABMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979070 569375499 /nfs/dbraw/zinc/37/54/99/569375499.db2.gz GILMSJQKSVCVIP-NRFANRHFSA-N 1 1 423.469 2.685 40 0 HFABMO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009109893 569391561 /nfs/dbraw/zinc/39/15/61/569391561.db2.gz QAJZBSFVLUGAKL-YTSMVRMISA-N 1 1 405.429 2.565 40 0 HFABMO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc(OC)ccc2OC)CC1 ZINC000035290786 557676255 /nfs/dbraw/zinc/67/62/55/557676255.db2.gz KJVZRFFMSBVTQN-LJQANCHMSA-N 1 1 402.543 2.562 40 0 HFABMO Cc1nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763524 558277450 /nfs/dbraw/zinc/27/74/50/558277450.db2.gz KKHDNSAALMNRDR-FQEVSTJZSA-N 1 1 404.518 2.828 40 0 HFABMO COc1cccc(C2=NO[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1OC ZINC000019894456 558303773 /nfs/dbraw/zinc/30/37/73/558303773.db2.gz DUAVUBPTAGPTQZ-NRFANRHFSA-N 1 1 409.486 2.541 40 0 HFABMO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019937673 558312438 /nfs/dbraw/zinc/31/24/38/558312438.db2.gz BVQLIGFRYWECDL-UHFFFAOYSA-N 1 1 422.916 2.977 40 0 HFABMO COc1cccc(CN2CC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000022035621 558459262 /nfs/dbraw/zinc/45/92/62/558459262.db2.gz VJXKUNOPIUFFIJ-SFHVURJKSA-N 1 1 406.530 2.842 40 0 HFABMO COc1cccc(C[N@@H+]2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000022035621 558459264 /nfs/dbraw/zinc/45/92/64/558459264.db2.gz VJXKUNOPIUFFIJ-SFHVURJKSA-N 1 1 406.530 2.842 40 0 HFABMO COc1cccc(C[N@H+]2CCN(Cc3cn(CC(N)=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000022035621 558459266 /nfs/dbraw/zinc/45/92/66/558459266.db2.gz VJXKUNOPIUFFIJ-SFHVURJKSA-N 1 1 406.530 2.842 40 0 HFABMO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)N1CCN(/C=C\c2ccccc2)CC1 ZINC000031772169 558752406 /nfs/dbraw/zinc/75/24/06/558752406.db2.gz IFNOUGMPJJULLQ-KAMYIIQDSA-N 1 1 405.542 2.785 40 0 HFABMO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000047266606 558841940 /nfs/dbraw/zinc/84/19/40/558841940.db2.gz PKUSFKZVAYQOLP-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019236429 558855558 /nfs/dbraw/zinc/85/55/58/558855558.db2.gz QOQDQAOCPCKWJM-NRFANRHFSA-N 1 1 421.549 2.665 40 0 HFABMO Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)n1 ZINC000019290946 558863363 /nfs/dbraw/zinc/86/33/63/558863363.db2.gz MVTUHLUFEMJKBQ-FQEVSTJZSA-N 1 1 424.549 2.562 40 0 HFABMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc(OC)c1OC ZINC000019291363 558863790 /nfs/dbraw/zinc/86/37/90/558863790.db2.gz YUDSBDODEWYLJY-AQKKSAQBSA-N 1 1 401.507 2.566 40 0 HFABMO O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339345 558871074 /nfs/dbraw/zinc/87/10/74/558871074.db2.gz FSFVJONAWPNLQC-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339345 558871077 /nfs/dbraw/zinc/87/10/77/558871077.db2.gz FSFVJONAWPNLQC-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339474 558871126 /nfs/dbraw/zinc/87/11/26/558871126.db2.gz HUUGJXKXZIJPOG-IBGZPJMESA-N 1 1 421.545 2.619 40 0 HFABMO O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339474 558871128 /nfs/dbraw/zinc/87/11/28/558871128.db2.gz HUUGJXKXZIJPOG-IBGZPJMESA-N 1 1 421.545 2.619 40 0 HFABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340878 558871617 /nfs/dbraw/zinc/87/16/17/558871617.db2.gz BZZPQXBSEADVJY-OAQYLSRUSA-N 1 1 406.486 2.930 40 0 HFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000055259443 558877852 /nfs/dbraw/zinc/87/78/52/558877852.db2.gz NZVDYNDTJCJNMY-UHFFFAOYSA-N 1 1 410.923 2.659 40 0 HFABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373757 558880898 /nfs/dbraw/zinc/88/08/98/558880898.db2.gz CZMQJUJOBBOZEL-XUZZJYLKSA-N 1 1 406.530 2.557 40 0 HFABMO CC(=O)Nc1ccc2c(cnn2CC2(O)CC[NH+](Cc3cnc(C(C)C)nc3)CC2)c1 ZINC000019453988 558891289 /nfs/dbraw/zinc/89/12/89/558891289.db2.gz GXOSAEQXMIWPFP-UHFFFAOYSA-N 1 1 422.533 2.935 40 0 HFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500328 558898561 /nfs/dbraw/zinc/89/85/61/558898561.db2.gz ODPQHJQJVVFFHO-QGZVFWFLSA-N 1 1 401.580 2.880 40 0 HFABMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c(C)n1-c1cccnc1 ZINC000019567659 558926758 /nfs/dbraw/zinc/92/67/58/558926758.db2.gz WWVGZPUQVWRAMH-UHFFFAOYSA-N 1 1 404.518 2.731 40 0 HFABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c(C)n1-c1cccnc1 ZINC000019567659 558926760 /nfs/dbraw/zinc/92/67/60/558926760.db2.gz WWVGZPUQVWRAMH-UHFFFAOYSA-N 1 1 404.518 2.731 40 0 HFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019570572 558929410 /nfs/dbraw/zinc/92/94/10/558929410.db2.gz QNQQOQOKVOAIHW-GOSISDBHSA-N 1 1 422.529 2.865 40 0 HFABMO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058808385 558930195 /nfs/dbraw/zinc/93/01/95/558930195.db2.gz PPDMUIONHXMNCI-GOSISDBHSA-N 1 1 401.532 2.754 40 0 HFABMO CC(C)NC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334462 558935697 /nfs/dbraw/zinc/93/56/97/558935697.db2.gz ASYNREOZJHEJKQ-VEDVITAVSA-N 1 1 423.532 2.938 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072334589 558935710 /nfs/dbraw/zinc/93/57/10/558935710.db2.gz BNXNBJCXBNEPNC-FSWDVZBNSA-N 1 1 408.424 2.892 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000072334589 558935712 /nfs/dbraw/zinc/93/57/12/558935712.db2.gz BNXNBJCXBNEPNC-FSWDVZBNSA-N 1 1 408.424 2.892 40 0 HFABMO COCCOc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019593778 558944765 /nfs/dbraw/zinc/94/47/65/558944765.db2.gz SLJZBSMDDCYKEE-IBGZPJMESA-N 1 1 406.486 2.847 40 0 HFABMO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355079 558952409 /nfs/dbraw/zinc/95/24/09/558952409.db2.gz XNHRSDRZRQLUPI-SFHVURJKSA-N 1 1 401.942 2.719 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355079 558952410 /nfs/dbraw/zinc/95/24/10/558952410.db2.gz XNHRSDRZRQLUPI-SFHVURJKSA-N 1 1 401.942 2.719 40 0 HFABMO CC(C)[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2)[NH+]1CCOCC1 ZINC000019661941 558952953 /nfs/dbraw/zinc/95/29/53/558952953.db2.gz OFRSXXNDHBMEHI-KRWDZBQOSA-N 1 1 416.488 2.644 40 0 HFABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)[nH+]1 ZINC000072372600 558960065 /nfs/dbraw/zinc/96/00/65/558960065.db2.gz JSCWYHRLGMFDKW-SFHVURJKSA-N 1 1 422.489 2.524 40 0 HFABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)n3)c2)s1 ZINC000072372604 558960082 /nfs/dbraw/zinc/96/00/82/558960082.db2.gz OUZZTLJPGDUUNI-KRWDZBQOSA-N 1 1 410.503 2.970 40 0 HFABMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708111 558970147 /nfs/dbraw/zinc/97/01/47/558970147.db2.gz STJYGCZQHAGKIO-HXUWFJFHSA-N 1 1 421.545 2.711 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710305 558972133 /nfs/dbraw/zinc/97/21/33/558972133.db2.gz RCJNONMIHALVLK-MRXNPFEDSA-N 1 1 418.545 2.936 40 0 HFABMO CCn1c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)nc2ccccc21 ZINC000072392609 558972346 /nfs/dbraw/zinc/97/23/46/558972346.db2.gz KZBGFIQBGQBHFM-XSSDXNQZSA-N 1 1 423.517 2.593 40 0 HFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711414 558973775 /nfs/dbraw/zinc/97/37/75/558973775.db2.gz RPHKITMWZYSZFZ-FQEVSTJZSA-N 1 1 407.562 2.869 40 0 HFABMO CCCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000072394970 558973848 /nfs/dbraw/zinc/97/38/48/558973848.db2.gz LZXKKBYUPVCHJN-VXMMSVGHSA-N 1 1 423.561 2.811 40 0 HFABMO CCn1nc([C@@H](C)C(=O)N2CCC(Cn3cc[nH+]c3C)CC2)c2ccccc2c1=O ZINC000019716962 558979264 /nfs/dbraw/zinc/97/92/64/558979264.db2.gz CQIPMVDMPPTTHQ-MRXNPFEDSA-N 1 1 407.518 2.964 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000257240327 558993267 /nfs/dbraw/zinc/99/32/67/558993267.db2.gz HSZTUZCSQLSKLD-UFYCRDLUSA-N 1 1 412.578 2.798 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000257240326 558993315 /nfs/dbraw/zinc/99/33/15/558993315.db2.gz HSZTUZCSQLSKLD-AQNXPRMDSA-N 1 1 412.578 2.798 40 0 HFABMO COc1cc(-c2cnc(N3CC[N@H+]4CCCC[C@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000257259126 558994870 /nfs/dbraw/zinc/99/48/70/558994870.db2.gz KWXYHKZFDAYGGA-HNNXBMFYSA-N 1 1 422.489 2.885 40 0 HFABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105100 559027472 /nfs/dbraw/zinc/02/74/72/559027472.db2.gz XZORPAJWEVTDTP-ICSRJNTNSA-N 1 1 418.509 2.783 40 0 HFABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105100 559027474 /nfs/dbraw/zinc/02/74/74/559027474.db2.gz XZORPAJWEVTDTP-ICSRJNTNSA-N 1 1 418.509 2.783 40 0 HFABMO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000096036475 559090244 /nfs/dbraw/zinc/09/02/44/559090244.db2.gz ZMGOZZBRTMFIGH-RUZDIDTESA-N 1 1 419.573 2.813 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000096036475 559090247 /nfs/dbraw/zinc/09/02/47/559090247.db2.gz ZMGOZZBRTMFIGH-RUZDIDTESA-N 1 1 419.573 2.813 40 0 HFABMO Cc1ccc(CNC(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)o1 ZINC000096156206 559100385 /nfs/dbraw/zinc/10/03/85/559100385.db2.gz DHELOKOJXZOBBA-SFHVURJKSA-N 1 1 416.485 2.945 40 0 HFABMO CN(C)c1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3Cc2ccccc2)c1 ZINC000096230321 559102863 /nfs/dbraw/zinc/10/28/63/559102863.db2.gz LTJJMXHVWAKLQV-UHFFFAOYSA-N 1 1 420.557 2.702 40 0 HFABMO CN(C)c1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)CC[N@@H+]3Cc2ccccc2)c1 ZINC000096230321 559102865 /nfs/dbraw/zinc/10/28/65/559102865.db2.gz LTJJMXHVWAKLQV-UHFFFAOYSA-N 1 1 420.557 2.702 40 0 HFABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc12 ZINC000096242502 559104168 /nfs/dbraw/zinc/10/41/68/559104168.db2.gz GFGUJLLUBVNNPB-UHFFFAOYSA-N 1 1 417.550 2.982 40 0 HFABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273749 559118382 /nfs/dbraw/zinc/11/83/82/559118382.db2.gz QQSDILQUMCCDCP-HSZRJFAPSA-N 1 1 416.493 2.617 40 0 HFABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256576 559284732 /nfs/dbraw/zinc/28/47/32/559284732.db2.gz KMBFROXHLBXJAP-IBGZPJMESA-N 1 1 411.502 2.879 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257291979 559285756 /nfs/dbraw/zinc/28/57/56/559285756.db2.gz QJMGHKCFCPHEQF-HSZRJFAPSA-N 1 1 423.557 2.845 40 0 HFABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000008550657 560755149 /nfs/dbraw/zinc/75/51/49/560755149.db2.gz NUBWPGDUBRHVND-UHFFFAOYSA-N 1 1 410.522 2.600 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000008570036 560755696 /nfs/dbraw/zinc/75/56/96/560755696.db2.gz SRNQGRKLVVYFQP-IEBWSBKVSA-N 1 1 402.491 2.512 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000008570036 560755698 /nfs/dbraw/zinc/75/56/98/560755698.db2.gz SRNQGRKLVVYFQP-IEBWSBKVSA-N 1 1 402.491 2.512 40 0 HFABMO CCOc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020142310 560881560 /nfs/dbraw/zinc/88/15/60/560881560.db2.gz UMHZMBUUNDHFCG-JOCHJYFZSA-N 1 1 406.534 2.651 40 0 HFABMO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416669 568491550 /nfs/dbraw/zinc/49/15/50/568491550.db2.gz MGLBZJBPRMGYMC-UHFFFAOYSA-N 1 1 400.350 2.654 40 0 HFABMO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000223189344 568540504 /nfs/dbraw/zinc/54/05/04/568540504.db2.gz KISQHJRPGWCHBW-SILNSSARSA-N 1 1 413.543 2.666 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000224392599 568580115 /nfs/dbraw/zinc/58/01/15/568580115.db2.gz PAMJTFLPFIWXLF-HDICACEKSA-N 1 1 407.580 2.714 40 0 HFABMO O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224730416 568593962 /nfs/dbraw/zinc/59/39/62/568593962.db2.gz UAKTWLGHBLJVHC-UHFFFAOYSA-N 1 1 412.914 2.931 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000225677734 568663240 /nfs/dbraw/zinc/66/32/40/568663240.db2.gz GIKIKNKWERDPMH-UHFFFAOYSA-N 1 1 414.512 2.573 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275942 568797299 /nfs/dbraw/zinc/79/72/99/568797299.db2.gz NRQAXXFGDGEDTN-HSZRJFAPSA-N 1 1 413.566 2.982 40 0 HFABMO CNc1nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1CC[N@H+](C)C2 ZINC000257294477 568802718 /nfs/dbraw/zinc/80/27/18/568802718.db2.gz QUIXKECOCOQUNR-INIZCTEOSA-N 1 1 402.502 2.684 40 0 HFABMO CNc1nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1CC[N@@H+](C)C2 ZINC000257294477 568802720 /nfs/dbraw/zinc/80/27/20/568802720.db2.gz QUIXKECOCOQUNR-INIZCTEOSA-N 1 1 402.502 2.684 40 0 HFABMO Cc1nc([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340055 568816044 /nfs/dbraw/zinc/81/60/44/568816044.db2.gz ZEHBOKOGOBQQLF-GOSISDBHSA-N 1 1 413.566 2.522 40 0 HFABMO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340055 568816047 /nfs/dbraw/zinc/81/60/47/568816047.db2.gz ZEHBOKOGOBQQLF-GOSISDBHSA-N 1 1 413.566 2.522 40 0 HFABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000306126172 568888942 /nfs/dbraw/zinc/88/89/42/568888942.db2.gz DOUWQYWWDFIFML-PGRDOPGGSA-N 1 1 411.575 2.783 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306126337 568889021 /nfs/dbraw/zinc/88/90/21/568889021.db2.gz DSZGIHYUTIXSTI-NHCUHLMSSA-N 1 1 401.514 2.555 40 0 HFABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128316 568891142 /nfs/dbraw/zinc/89/11/42/568891142.db2.gz GWYVGBRSRPQMLO-XCRHUMRWSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128316 568891143 /nfs/dbraw/zinc/89/11/43/568891143.db2.gz GWYVGBRSRPQMLO-XCRHUMRWSA-N 1 1 400.445 2.727 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128552 568891438 /nfs/dbraw/zinc/89/14/38/568891438.db2.gz HDUAANRXOSDPSF-ROUUACIJSA-N 1 1 403.486 2.843 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128550 568891451 /nfs/dbraw/zinc/89/14/51/568891451.db2.gz HDUAANRXOSDPSF-MSOLQXFVSA-N 1 1 403.486 2.843 40 0 HFABMO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000306130007 568892368 /nfs/dbraw/zinc/89/23/68/568892368.db2.gz ITXXCIRELWDURS-FUHWJXTLSA-N 1 1 405.564 2.743 40 0 HFABMO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000306130008 568892537 /nfs/dbraw/zinc/89/25/37/568892537.db2.gz ITXXCIRELWDURS-SJLPKXTDSA-N 1 1 405.564 2.743 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130357 568892747 /nfs/dbraw/zinc/89/27/47/568892747.db2.gz JDKBTWHNXDXAHP-ILBGXUMGSA-N 1 1 414.509 2.874 40 0 HFABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000306134971 568896999 /nfs/dbraw/zinc/89/69/99/568896999.db2.gz ODLKFAAHVLJWDS-SIKLNZKXSA-N 1 1 411.575 2.783 40 0 HFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3cccc(C)n3)C2)cc1 ZINC000306137067 568898937 /nfs/dbraw/zinc/89/89/37/568898937.db2.gz QKSMOHAJJDKOOI-QHCPKHFHSA-N 1 1 403.486 2.565 40 0 HFABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137747 568899646 /nfs/dbraw/zinc/89/96/46/568899646.db2.gz REWRCRPTLMWXHK-GOSISDBHSA-N 1 1 421.501 2.674 40 0 HFABMO CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)c3cccnc3)[N@H+]2Cc2ccccc21 ZINC000306138193 568900065 /nfs/dbraw/zinc/90/00/65/568900065.db2.gz RSCSVHFQFOKRSC-UXHICEINSA-N 1 1 407.518 2.783 40 0 HFABMO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2nccs2)CC1 ZINC000306140137 568901954 /nfs/dbraw/zinc/90/19/54/568901954.db2.gz ULKFGHQUTWXGOJ-UHFFFAOYSA-N 1 1 402.568 2.739 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144044 568905351 /nfs/dbraw/zinc/90/53/51/568905351.db2.gz YUIXZJRWCDQNIP-ILBGXUMGSA-N 1 1 414.509 2.874 40 0 HFABMO C[NH+](C)CCCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329021770 568973084 /nfs/dbraw/zinc/97/30/84/568973084.db2.gz OJFOGNUJKWMLMJ-UHFFFAOYSA-N 1 1 404.356 2.936 40 0 HFABMO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257198829 569058959 /nfs/dbraw/zinc/05/89/59/569058959.db2.gz JOOVBUDCBFQMDE-BJJLKGPWSA-N 1 1 418.541 2.969 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000249892448 569316897 /nfs/dbraw/zinc/31/68/97/569316897.db2.gz SRNQGRKLVVYFQP-HKUYNNGSSA-N 1 1 402.491 2.512 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000249892448 569316898 /nfs/dbraw/zinc/31/68/98/569316898.db2.gz SRNQGRKLVVYFQP-HKUYNNGSSA-N 1 1 402.491 2.512 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235371 569344761 /nfs/dbraw/zinc/34/47/61/569344761.db2.gz FHTPZEHCBQTDKZ-AUSIDOKSSA-N 1 1 410.518 2.815 40 0 HFABMO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccccn4)n3)cn2)CC1 ZINC000049155132 291220722 /nfs/dbraw/zinc/22/07/22/291220722.db2.gz XAEJAJBWBFLLIZ-IBGZPJMESA-N 1 1 405.506 2.616 40 0 biogenic,in-vitro HFABMO COc1cc(-c2cnc(N3CC[N@H+]4CCCC[C@@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000012327887 132358850 /nfs/dbraw/zinc/35/88/50/132358850.db2.gz KWXYHKZFDAYGGA-OAHLLOKOSA-N 1 1 422.489 2.885 40 0 HFABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824159 519902967 /nfs/dbraw/zinc/90/29/67/519902967.db2.gz YSAKNGNRJSZYPZ-UHFFFAOYSA-N 1 1 416.591 2.564 40 0 HFABMO COc1ccccc1-c1cc(C(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)[nH]n1 ZINC000019758372 558275025 /nfs/dbraw/zinc/27/50/25/558275025.db2.gz RAUZWTDVPZLURC-UHFFFAOYSA-N 1 1 406.490 2.861 40 0 HFABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763522 558277365 /nfs/dbraw/zinc/27/73/65/558277365.db2.gz KKHDNSAALMNRDR-HXUWFJFHSA-N 1 1 404.518 2.828 40 0 HFABMO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@@H+]4CCCC[C@H]4C)nc(C)n23)s1 ZINC000012115379 558327796 /nfs/dbraw/zinc/32/77/96/558327796.db2.gz CNXGPZCOBOKNQS-CQSZACIVSA-N 1 1 415.563 2.708 40 0 HFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116216 558328308 /nfs/dbraw/zinc/32/83/08/558328308.db2.gz KPXTYDFTNXKFHW-WBVHZDCISA-N 1 1 411.531 2.977 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116212 558328316 /nfs/dbraw/zinc/32/83/16/558328316.db2.gz DYCYDTUAABYARK-INIZCTEOSA-N 1 1 411.531 2.985 40 0 HFABMO Cc1ccc([C@H](C)[NH+]2CCN(CC(=O)N3CCC[C@@H](c4csnn4)C3)CC2)cc1 ZINC000022922419 558522670 /nfs/dbraw/zinc/52/26/70/558522670.db2.gz DWNHJVMHWYQPCF-AZUAARDMSA-N 1 1 413.591 2.931 40 0 HFABMO O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752847 558803051 /nfs/dbraw/zinc/80/30/51/558803051.db2.gz VPVUTAVNCJOMIO-MRXNPFEDSA-N 1 1 403.486 2.803 40 0 HFABMO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCC(C(N)=O)CC1 ZINC000082061253 558827568 /nfs/dbraw/zinc/82/75/68/558827568.db2.gz CXJJGZMQAARCFU-MRXNPFEDSA-N 1 1 400.483 2.785 40 0 HFABMO Cc1cnc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)cn1 ZINC000019238991 558857731 /nfs/dbraw/zinc/85/77/31/558857731.db2.gz ZERWXDLXPWGSMQ-UHFFFAOYSA-N 1 1 408.481 2.719 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019333186 558869034 /nfs/dbraw/zinc/86/90/34/558869034.db2.gz XRQHOUFLYWIHHM-KRWDZBQOSA-N 1 1 424.520 2.768 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334066 558869174 /nfs/dbraw/zinc/86/91/74/558869174.db2.gz AIBVCCVWSKQOSB-KRWDZBQOSA-N 1 1 410.493 2.583 40 0 HFABMO O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339341 558871030 /nfs/dbraw/zinc/87/10/30/558871030.db2.gz FSFVJONAWPNLQC-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339341 558871032 /nfs/dbraw/zinc/87/10/32/558871032.db2.gz FSFVJONAWPNLQC-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019495991 558894808 /nfs/dbraw/zinc/89/48/08/558894808.db2.gz XWBXVDUUAXURJC-LADRWXRNSA-N 1 1 402.539 2.819 40 0 HFABMO COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)cc1OC ZINC000019560225 558921376 /nfs/dbraw/zinc/92/13/76/558921376.db2.gz UCMTUTHHKGSMSL-RTBURBONSA-N 1 1 415.534 2.500 40 0 HFABMO COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1OC ZINC000019560225 558921379 /nfs/dbraw/zinc/92/13/79/558921379.db2.gz UCMTUTHHKGSMSL-RTBURBONSA-N 1 1 415.534 2.500 40 0 HFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cc(C)c(O)c(C)c2)C3)c(OC)n1 ZINC000019569953 558928661 /nfs/dbraw/zinc/92/86/61/558928661.db2.gz GANBXODFSLGAAO-NHJWOMDBSA-N 1 1 413.518 2.936 40 0 HFABMO Cc1oc2c(c1C(=O)N1CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C1)CCCC2 ZINC000019581216 558936891 /nfs/dbraw/zinc/93/68/91/558936891.db2.gz SHLLAJPWKTVSSW-OAHLLOKOSA-N 1 1 410.518 2.970 40 0 HFABMO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 ZINC000072340547 558939360 /nfs/dbraw/zinc/93/93/60/558939360.db2.gz UFPPSMCQYNXCOJ-JOCHJYFZSA-N 1 1 410.493 2.972 40 0 HFABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358560 558954084 /nfs/dbraw/zinc/95/40/84/558954084.db2.gz HJARBVXLZILLAO-IBGZPJMESA-N 1 1 407.518 2.904 40 0 HFABMO COc1cc(C)c(-c2csc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)n2)cc1C ZINC000019663668 558954413 /nfs/dbraw/zinc/95/44/13/558954413.db2.gz HVKVKNKDGUTMPS-AWEZNQCLSA-N 1 1 402.520 2.571 40 0 HFABMO COc1cc(C)c(-c2csc(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)n2)cc1C ZINC000019663668 558954416 /nfs/dbraw/zinc/95/44/16/558954416.db2.gz HVKVKNKDGUTMPS-AWEZNQCLSA-N 1 1 402.520 2.571 40 0 HFABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccc(=O)n(C)n3)c2)s1 ZINC000072372605 558960147 /nfs/dbraw/zinc/96/01/47/558960147.db2.gz OUZZTLJPGDUUNI-QGZVFWFLSA-N 1 1 410.503 2.970 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](c2ccccc2)C1 ZINC000072373101 558960846 /nfs/dbraw/zinc/96/08/46/558960846.db2.gz OJNQMSQXNKPZBC-SFTDATJTSA-N 1 1 420.557 2.775 40 0 HFABMO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373062 558960920 /nfs/dbraw/zinc/96/09/20/558960920.db2.gz CFNKKKRZSVULGS-FHWLQOOXSA-N 1 1 400.567 2.654 40 0 HFABMO Cc1ccnn1CCNC(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019705905 558968486 /nfs/dbraw/zinc/96/84/86/558968486.db2.gz NBXKTMJYRORNBV-HXUWFJFHSA-N 1 1 404.518 2.791 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCOc1ccccc1C)C2 ZINC000019708817 558971391 /nfs/dbraw/zinc/97/13/91/558971391.db2.gz KLJRXLHUJGTUJH-SFHVURJKSA-N 1 1 423.561 2.990 40 0 HFABMO CCC(=O)N[C@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395724 558974706 /nfs/dbraw/zinc/97/47/06/558974706.db2.gz MDRBHIMMIADBDV-RTWAWAEBSA-N 1 1 409.534 2.723 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000072399048 558976506 /nfs/dbraw/zinc/97/65/06/558976506.db2.gz GYIXNGBNPZDIMQ-VYDXJSESSA-N 1 1 412.559 2.752 40 0 HFABMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3C)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716350 558978131 /nfs/dbraw/zinc/97/81/31/558978131.db2.gz JTTCKFIYNWLQMI-HNNXBMFYSA-N 1 1 421.501 2.557 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000257240325 558993345 /nfs/dbraw/zinc/99/33/45/558993345.db2.gz HSZTUZCSQLSKLD-AABGKKOBSA-N 1 1 412.578 2.798 40 0 HFABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099979 559024503 /nfs/dbraw/zinc/02/45/03/559024503.db2.gz BVYBIFMFEWYFSY-XMMPIXPASA-N 1 1 423.561 2.612 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585103120 559026447 /nfs/dbraw/zinc/02/64/47/559026447.db2.gz DJOCOVQCIHIPSQ-HXUWFJFHSA-N 1 1 415.559 2.773 40 0 HFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106307 559028722 /nfs/dbraw/zinc/02/87/22/559028722.db2.gz QLGUSYUHQMULNU-UHOSZYNNSA-N 1 1 401.526 2.975 40 0 HFABMO COc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC000096049822 559092095 /nfs/dbraw/zinc/09/20/95/559092095.db2.gz WGBZNCORULNMDQ-OAQYLSRUSA-N 1 1 403.548 2.564 40 0 HFABMO COc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC000096049822 559092096 /nfs/dbraw/zinc/09/20/96/559092096.db2.gz WGBZNCORULNMDQ-OAQYLSRUSA-N 1 1 403.548 2.564 40 0 HFABMO O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096239906 559103475 /nfs/dbraw/zinc/10/34/75/559103475.db2.gz HDXOABQELFKQGW-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239906 559103477 /nfs/dbraw/zinc/10/34/77/559103477.db2.gz HDXOABQELFKQGW-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)C4CCC4)CC3)c3ccccc32)CC1 ZINC000096242256 559103884 /nfs/dbraw/zinc/10/38/84/559103884.db2.gz JORWSCBOWQLJRU-FQEVSTJZSA-N 1 1 409.574 2.998 40 0 HFABMO Cc1ccc(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1C ZINC000585267897 559113040 /nfs/dbraw/zinc/11/30/40/559113040.db2.gz QLAYVCKXUIMNOK-ZEQRLZLVSA-N 1 1 424.541 2.929 40 0 HFABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271556 559115829 /nfs/dbraw/zinc/11/58/29/559115829.db2.gz ZQGWMOGLAIQXSB-FQEVSTJZSA-N 1 1 411.502 2.842 40 0 HFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)c(C)c1 ZINC000585272939 559117066 /nfs/dbraw/zinc/11/70/66/559117066.db2.gz LBCKWWMHGHVQNU-UHFFFAOYSA-N 1 1 400.494 2.965 40 0 HFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257308800 559286239 /nfs/dbraw/zinc/28/62/39/559286239.db2.gz TYDIVHZHLBKLIX-HXUWFJFHSA-N 1 1 404.551 2.830 40 0 HFABMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000012462286 560780414 /nfs/dbraw/zinc/78/04/14/560780414.db2.gz VMLZIMZILWPPGB-UHFFFAOYSA-N 1 1 421.950 2.618 40 0 HFABMO CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500668 560873677 /nfs/dbraw/zinc/87/36/77/560873677.db2.gz QAEBBJNFGPSHNT-FQEVSTJZSA-N 1 1 420.517 2.719 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)CC1 ZINC000224195307 568573216 /nfs/dbraw/zinc/57/32/16/568573216.db2.gz DHDTYSAPGPKVLW-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000224400601 568580322 /nfs/dbraw/zinc/58/03/22/568580322.db2.gz QVIYTTSLEBBMJJ-QGZVFWFLSA-N 1 1 407.580 2.777 40 0 HFABMO CCc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC ZINC000224585834 568586386 /nfs/dbraw/zinc/58/63/86/568586386.db2.gz HEIYUKYHGIXDPA-UHFFFAOYSA-N 1 1 404.532 2.568 40 0 HFABMO CN1C(=O)CCC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257220057 568782012 /nfs/dbraw/zinc/78/20/12/568782012.db2.gz DJIJLQRNTNCUSK-QFBILLFUSA-N 1 1 401.551 2.681 40 0 HFABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244224 568788604 /nfs/dbraw/zinc/78/86/04/568788604.db2.gz IKKVLISNIMBERB-OAHLLOKOSA-N 1 1 410.387 2.517 40 0 HFABMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1)Nc1ccc2c(c1)OCCO2 ZINC000257268974 568795373 /nfs/dbraw/zinc/79/53/73/568795373.db2.gz MOAMHVQLWPOWFR-QWFCFKBJSA-N 1 1 408.502 2.777 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3n2C)[C@H]1O ZINC000257271242 568795988 /nfs/dbraw/zinc/79/59/88/568795988.db2.gz MXLZCVWCHPAJLJ-FQELHTAISA-N 1 1 415.925 2.935 40 0 HFABMO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000257291905 568802088 /nfs/dbraw/zinc/80/20/88/568802088.db2.gz QJESIELQRNZORD-JOCHJYFZSA-N 1 1 402.514 2.584 40 0 HFABMO CNc1nc([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1CC[N@H+](C)C2 ZINC000257294478 568802750 /nfs/dbraw/zinc/80/27/50/568802750.db2.gz QUIXKECOCOQUNR-MRXNPFEDSA-N 1 1 402.502 2.684 40 0 HFABMO CNc1nc([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1CC[N@@H+](C)C2 ZINC000257294478 568802751 /nfs/dbraw/zinc/80/27/51/568802751.db2.gz QUIXKECOCOQUNR-MRXNPFEDSA-N 1 1 402.502 2.684 40 0 HFABMO CC(=O)N[C@]12C[N@@H+](Cc3cccc(C)n3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257335937 568814987 /nfs/dbraw/zinc/81/49/87/568814987.db2.gz YMMJLTONKFTKDA-WXFUMESZSA-N 1 1 406.530 2.690 40 0 HFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000306126090 568888823 /nfs/dbraw/zinc/88/88/23/568888823.db2.gz DMGQJHMGVSLINT-FQEVSTJZSA-N 1 1 410.566 2.879 40 0 HFABMO Cc1c(F)cccc1C[N@H+]1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128141 568891031 /nfs/dbraw/zinc/89/10/31/568891031.db2.gz GRHQVUGYRHNTSR-IEBWSBKVSA-N 1 1 424.520 2.983 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130120 568892426 /nfs/dbraw/zinc/89/24/26/568892426.db2.gz IWNPVSVMNUENQS-LJQANCHMSA-N 1 1 407.518 2.954 40 0 HFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccsc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132147 568894364 /nfs/dbraw/zinc/89/43/64/568894364.db2.gz LAAANIZXQPSAFX-NQIIRXRSSA-N 1 1 402.564 2.990 40 0 HFABMO Cn1nccc1C(=O)N1CCN(C)[C@H](c2[nH+]cn3cc(-c4ccccc4)ccc23)C1 ZINC000306133135 568895418 /nfs/dbraw/zinc/89/54/18/568895418.db2.gz MCZKCEQCEIEWDL-NRFANRHFSA-N 1 1 400.486 2.864 40 0 HFABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306136186 568898021 /nfs/dbraw/zinc/89/80/21/568898021.db2.gz PLVQYDDXDFIEAJ-NHCUHLMSSA-N 1 1 401.514 2.821 40 0 HFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136341 568898142 /nfs/dbraw/zinc/89/81/42/568898142.db2.gz PQMUAVORWZQSIC-IRXDYDNUSA-N 1 1 417.469 2.563 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136654 568898417 /nfs/dbraw/zinc/89/84/17/568898417.db2.gz PZIDBYXJUVQWLQ-PMACEKPBSA-N 1 1 417.513 2.521 40 0 HFABMO CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)c3cccnc3)[N@H+]2Cc2ccccc21 ZINC000306138194 568900227 /nfs/dbraw/zinc/90/02/27/568900227.db2.gz RSCSVHFQFOKRSC-VQTJNVASSA-N 1 1 407.518 2.783 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4scnc4C)C[C@H]2C3)cc1 ZINC000306138837 568900673 /nfs/dbraw/zinc/90/06/73/568900673.db2.gz SIRZFRUFOBEFLJ-HUUCEWRRSA-N 1 1 424.530 2.608 40 0 HFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000306138925 568900679 /nfs/dbraw/zinc/90/06/79/568900679.db2.gz SKXCDDFAHUBRQR-FQEVSTJZSA-N 1 1 410.566 2.833 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138962 568900955 /nfs/dbraw/zinc/90/09/55/568900955.db2.gz SLTKCMBPEBTNIK-VQIMIIECSA-N 1 1 409.465 2.868 40 0 HFABMO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C2(CN)C[NH3+])cc1 ZINC000218227129 568928404 /nfs/dbraw/zinc/92/84/04/568928404.db2.gz ONIUQALVLXKTAU-IAGOWNOFSA-N 1 1 409.349 2.601 40 0 HFABMO Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000328999258 568972009 /nfs/dbraw/zinc/97/20/09/568972009.db2.gz JVFIEYNCPZQKCW-UHFFFAOYSA-N 1 1 409.515 2.607 40 0 HFABMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022873141 569043007 /nfs/dbraw/zinc/04/30/07/569043007.db2.gz FWHMFMVFKYFKJE-IBGZPJMESA-N 1 1 420.937 2.915 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000248117971 569316438 /nfs/dbraw/zinc/31/64/38/569316438.db2.gz QJWVDGXNVSUGKR-YEYPGUGLSA-N 1 1 414.550 2.962 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325885 569330932 /nfs/dbraw/zinc/33/09/32/569330932.db2.gz IMCYKLLNBWQEGF-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141333 523131711 /nfs/dbraw/zinc/13/17/11/523131711.db2.gz QIQTYMZEKLONFB-QFIPXVFZSA-N 1 1 406.534 2.999 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000019934818 558311546 /nfs/dbraw/zinc/31/15/46/558311546.db2.gz AAMFNANEJZMNFB-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO CS(=O)(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000012087211 558322038 /nfs/dbraw/zinc/32/20/38/558322038.db2.gz XPUVMFPINUGKRC-JOCHJYFZSA-N 1 1 400.544 2.918 40 0 HFABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012115928 558328168 /nfs/dbraw/zinc/32/81/68/558328168.db2.gz XQNRFWQISJUAFF-AWEZNQCLSA-N 1 1 409.446 2.920 40 0 HFABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012115928 558328171 /nfs/dbraw/zinc/32/81/71/558328171.db2.gz XQNRFWQISJUAFF-AWEZNQCLSA-N 1 1 409.446 2.920 40 0 HFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116213 558328282 /nfs/dbraw/zinc/32/82/82/558328282.db2.gz KPXTYDFTNXKFHW-DOTOQJQBSA-N 1 1 411.531 2.977 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020106523 558333782 /nfs/dbraw/zinc/33/37/82/558333782.db2.gz PFTVTYSKNQXMQW-OAQYLSRUSA-N 1 1 421.607 2.997 40 0 HFABMO COc1ccc(-c2nccc3ccn(CC(=O)N[C@@H]4CCC[N@@H+](C)C4)c32)cc1OC ZINC000012135489 558333830 /nfs/dbraw/zinc/33/38/30/558333830.db2.gz APOYHLDWLXLUOH-GOSISDBHSA-N 1 1 408.502 2.931 40 0 HFABMO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1N1CCOCC1 ZINC000016424867 558790703 /nfs/dbraw/zinc/79/07/03/558790703.db2.gz HSZZWZIRORHEIE-UHFFFAOYSA-N 1 1 411.502 2.755 40 0 HFABMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1N1CCOCC1 ZINC000016424867 558790706 /nfs/dbraw/zinc/79/07/06/558790706.db2.gz HSZZWZIRORHEIE-UHFFFAOYSA-N 1 1 411.502 2.755 40 0 HFABMO Cc1ccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)cc1 ZINC000019209291 558847845 /nfs/dbraw/zinc/84/78/45/558847845.db2.gz RIBHYTRHUWQAQW-IBGZPJMESA-N 1 1 420.557 2.938 40 0 HFABMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335798 558869934 /nfs/dbraw/zinc/86/99/34/558869934.db2.gz SMMDPYXXZWJSLN-DYESRHJHSA-N 1 1 417.525 2.576 40 0 HFABMO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339297 558871021 /nfs/dbraw/zinc/87/10/21/558871021.db2.gz IQLXDQZMZBBSFA-GHTZIAJQSA-N 1 1 419.529 2.743 40 0 HFABMO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339297 558871024 /nfs/dbraw/zinc/87/10/24/558871024.db2.gz IQLXDQZMZBBSFA-GHTZIAJQSA-N 1 1 419.529 2.743 40 0 HFABMO O=C(NCc1ncc[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372576 558879838 /nfs/dbraw/zinc/87/98/38/558879838.db2.gz OGSSEBFEIOJWQY-WOJBJXKFSA-N 1 1 406.461 2.796 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c(=O)c2C1 ZINC000019448159 558886945 /nfs/dbraw/zinc/88/69/45/558886945.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 1 1 410.522 2.504 40 0 HFABMO CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019503652 558900490 /nfs/dbraw/zinc/90/04/90/558900490.db2.gz FRRFDIJWRUIECX-UHFFFAOYSA-N 1 1 410.543 2.965 40 0 HFABMO CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CC[N@H+](Cc1ccccc1)CC3 ZINC000019503652 558900494 /nfs/dbraw/zinc/90/04/94/558900494.db2.gz FRRFDIJWRUIECX-UHFFFAOYSA-N 1 1 410.543 2.965 40 0 HFABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523562 558904714 /nfs/dbraw/zinc/90/47/14/558904714.db2.gz AABREMRLSFBYBA-SIKLNZKXSA-N 1 1 420.561 2.749 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000019549797 558914652 /nfs/dbraw/zinc/91/46/52/558914652.db2.gz YBOJGWDVIKSYHG-INIZCTEOSA-N 1 1 424.505 2.673 40 0 HFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335640 558936923 /nfs/dbraw/zinc/93/69/23/558936923.db2.gz GANMBCCQHXABJQ-QGZVFWFLSA-N 1 1 424.545 2.972 40 0 HFABMO COc1ccc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019590238 558940834 /nfs/dbraw/zinc/94/08/34/558940834.db2.gz YKGTUVIVSCFHIL-KRWDZBQOSA-N 1 1 410.518 2.518 40 0 HFABMO C[NH+]1CCN(c2cc(C(=O)Nc3nnc(CCc4ccccc4)s3)ccn2)CC1 ZINC000019654660 558948030 /nfs/dbraw/zinc/94/80/30/558948030.db2.gz KDPGNMSZMQKQLR-UHFFFAOYSA-N 1 1 408.531 2.722 40 0 HFABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659200 558950777 /nfs/dbraw/zinc/95/07/77/558950777.db2.gz GRLMPCCOZMYSKX-SFHVURJKSA-N 1 1 411.550 2.521 40 0 HFABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@H+](C3CCCC3)C1)C2=O ZINC000019699648 558966692 /nfs/dbraw/zinc/96/66/92/558966692.db2.gz PEZGXQFIRNLFQX-HXUWFJFHSA-N 1 1 424.545 2.620 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390060 558970476 /nfs/dbraw/zinc/97/04/76/558970476.db2.gz PJWRTVIFCVQOEU-OAHLLOKOSA-N 1 1 411.462 2.932 40 0 HFABMO CC[NH+](CC)CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000072390499 558970595 /nfs/dbraw/zinc/97/05/95/558970595.db2.gz XMNOINPFRZMXSL-UHFFFAOYSA-N 1 1 401.530 2.649 40 0 HFABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@H+](C)C2 ZINC000019708448 558970808 /nfs/dbraw/zinc/97/08/08/558970808.db2.gz NWCAWHBACLQMMW-SFHVURJKSA-N 1 1 419.526 2.561 40 0 HFABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019708448 558970811 /nfs/dbraw/zinc/97/08/11/558970811.db2.gz NWCAWHBACLQMMW-SFHVURJKSA-N 1 1 419.526 2.561 40 0 HFABMO Cc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)OCO2 ZINC000072394966 558973858 /nfs/dbraw/zinc/97/38/58/558973858.db2.gz HIYMNCHWZUYQDK-QRQCMCJISA-N 1 1 423.513 2.716 40 0 HFABMO Cc1nc(N2CCOCC2)sc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715787 558977081 /nfs/dbraw/zinc/97/70/81/558977081.db2.gz YRASKGVDOFSUBD-UHFFFAOYSA-N 1 1 402.564 2.757 40 0 HFABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585102264 559026027 /nfs/dbraw/zinc/02/60/27/559026027.db2.gz VUGDMYBWJWJEJH-VWLOTQADSA-N 1 1 421.541 2.908 40 0 HFABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585102264 559026028 /nfs/dbraw/zinc/02/60/28/559026028.db2.gz VUGDMYBWJWJEJH-VWLOTQADSA-N 1 1 421.541 2.908 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106246 559028564 /nfs/dbraw/zinc/02/85/64/559028564.db2.gz HZVKOHSBTNVGBD-YADHBBJMSA-N 1 1 403.526 2.848 40 0 HFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106338 559028726 /nfs/dbraw/zinc/02/87/26/559028726.db2.gz XGSVBKCLYDOMAR-AHRSYUTCSA-N 1 1 401.526 2.596 40 0 HFABMO CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585263332 559111985 /nfs/dbraw/zinc/11/19/85/559111985.db2.gz YOKIFBQOJUEBNS-YJMBLLCNSA-N 1 1 400.906 2.784 40 0 HFABMO Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269644 559115853 /nfs/dbraw/zinc/11/58/53/559115853.db2.gz FUJFIAWEBPXTPM-XMMPIXPASA-N 1 1 419.529 2.832 40 0 HFABMO O=C(C[NH+]1CCC(O)(COc2cccc(Cl)c2)CC1)NCCOc1ccccc1 ZINC000585271850 559117855 /nfs/dbraw/zinc/11/78/55/559117855.db2.gz DNEPCHOTHAMIKB-UHFFFAOYSA-N 1 1 418.921 2.741 40 0 HFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283733 /nfs/dbraw/zinc/28/37/33/559283733.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 1 1 420.504 2.667 40 0 HFABMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228921 559283735 /nfs/dbraw/zinc/28/37/35/559283735.db2.gz FVWUFGXQOUJXQR-OAQYLSRUSA-N 1 1 420.504 2.667 40 0 HFABMO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257277510 559285194 /nfs/dbraw/zinc/28/51/94/559285194.db2.gz NYGDDWNDODWSAZ-NRFANRHFSA-N 1 1 412.530 2.950 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@H+]3C)cc1 ZINC000575404181 560547088 /nfs/dbraw/zinc/54/70/88/560547088.db2.gz QIPWNCXSZWLFOS-LJQANCHMSA-N 1 1 415.559 2.692 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@@H+]3C)cc1 ZINC000575404181 560547089 /nfs/dbraw/zinc/54/70/89/560547089.db2.gz QIPWNCXSZWLFOS-LJQANCHMSA-N 1 1 415.559 2.692 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000019462546 560873252 /nfs/dbraw/zinc/87/32/52/560873252.db2.gz XIGBGXULJODBCZ-VWKPWSFCSA-N 1 1 407.518 2.876 40 0 HFABMO COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223677590 568555822 /nfs/dbraw/zinc/55/58/22/568555822.db2.gz CDPXZGIPZVUWBY-UHFFFAOYSA-N 1 1 406.504 2.978 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000260793285 568739274 /nfs/dbraw/zinc/73/92/74/568739274.db2.gz MPBBIDNTGOVEAU-KRWDZBQOSA-N 1 1 415.987 2.731 40 0 HFABMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH]c(N)n1 ZINC000257250832 568790566 /nfs/dbraw/zinc/79/05/66/568790566.db2.gz JOEFYEDWFGGUIZ-AEFFLSMTSA-N 1 1 413.522 2.722 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306126336 568889033 /nfs/dbraw/zinc/88/90/33/568889033.db2.gz DSZGIHYUTIXSTI-LEWJYISDSA-N 1 1 401.514 2.555 40 0 HFABMO COc1ccccc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306126707 568889497 /nfs/dbraw/zinc/88/94/97/568889497.db2.gz FCTAFGHCCDETEJ-WOJBJXKFSA-N 1 1 417.513 2.521 40 0 HFABMO O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@]1(CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306126778 568889615 /nfs/dbraw/zinc/88/96/15/568889615.db2.gz FEZYZIOOXBADGG-VWLOTQADSA-N 1 1 414.509 2.721 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 ZINC000306135159 568896928 /nfs/dbraw/zinc/89/69/28/568896928.db2.gz OJOVYBFMMGGODG-DLBZAZTESA-N 1 1 421.476 2.982 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135898 568897740 /nfs/dbraw/zinc/89/77/40/568897740.db2.gz PEBRGZHAEDBTTO-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136187 568898010 /nfs/dbraw/zinc/89/80/10/568898010.db2.gz PLVQYDDXDFIEAJ-RTWAWAEBSA-N 1 1 401.514 2.821 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306136656 568898483 /nfs/dbraw/zinc/89/84/83/568898483.db2.gz PZIDBYXJUVQWLQ-VQTJNVASSA-N 1 1 417.513 2.521 40 0 HFABMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc2c1OCO2 ZINC000306137748 568899581 /nfs/dbraw/zinc/89/95/81/568899581.db2.gz REWRCRPTLMWXHK-SFHVURJKSA-N 1 1 421.501 2.674 40 0 HFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306140989 568902828 /nfs/dbraw/zinc/90/28/28/568902828.db2.gz VIIWNZRPFCRWKK-UONOGXRCSA-N 1 1 412.494 2.739 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144526 568905881 /nfs/dbraw/zinc/90/58/81/568905881.db2.gz ZHWCALRBPJPEOD-GGAORHGYSA-N 1 1 420.538 2.935 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000247878555 569315600 /nfs/dbraw/zinc/31/56/00/569315600.db2.gz PBTAOUAWCZBFLG-FIKMYACPSA-N 1 1 405.445 2.892 40 0 HFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703411 569316914 /nfs/dbraw/zinc/31/69/14/569316914.db2.gz ZTQDARNKWLARFX-HLAWJBBLSA-N 1 1 410.562 2.605 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019463271 569345545 /nfs/dbraw/zinc/34/55/45/569345545.db2.gz GYIXNGBNPZDIMQ-BFYDXBDKSA-N 1 1 412.559 2.752 40 0 HFABMO O=C(CCC[NH+]1CCOCC1)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713174 569348414 /nfs/dbraw/zinc/34/84/14/569348414.db2.gz DMFWUZRWIBGZFA-YADHBBJMSA-N 1 1 413.562 2.671 40 0 HFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450129 132467366 /nfs/dbraw/zinc/46/73/66/132467366.db2.gz RPBPOJKLPRVKSE-PMACEKPBSA-N 1 1 408.550 2.602 40 0 HFABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc4c(N)nc(C)nc4n3)C2)cc1 ZINC000019743308 558263735 /nfs/dbraw/zinc/26/37/35/558263735.db2.gz GCRWJCFWDAZNKP-OAHLLOKOSA-N 1 1 406.490 2.742 40 0 HFABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc4c(N)nc(C)nc4n3)C2)cc1 ZINC000019743308 558263738 /nfs/dbraw/zinc/26/37/38/558263738.db2.gz GCRWJCFWDAZNKP-OAHLLOKOSA-N 1 1 406.490 2.742 40 0 HFABMO O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012239034 558359623 /nfs/dbraw/zinc/35/96/23/558359623.db2.gz GOBWERKELMLQPO-SFHVURJKSA-N 1 1 413.543 2.762 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000020458643 558371463 /nfs/dbraw/zinc/37/14/63/558371463.db2.gz PATYTPXQBYZIJU-MRXNPFEDSA-N 1 1 412.515 2.652 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491834 558378267 /nfs/dbraw/zinc/37/82/67/558378267.db2.gz IUXMAXMJQCCPMZ-KRWDZBQOSA-N 1 1 423.579 2.755 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081062 558839292 /nfs/dbraw/zinc/83/92/92/558839292.db2.gz DLWBEZBZMRTNSR-QGZVFWFLSA-N 1 1 424.545 2.699 40 0 HFABMO Cc1ccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCC3)C4)C2)cc1 ZINC000019209289 558847865 /nfs/dbraw/zinc/84/78/65/558847865.db2.gz RIBHYTRHUWQAQW-LJQANCHMSA-N 1 1 420.557 2.938 40 0 HFABMO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211955 558848631 /nfs/dbraw/zinc/84/86/31/558848631.db2.gz XFWBVZLYKTZAPZ-ZAWLATJESA-N 1 1 400.548 2.665 40 0 HFABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211955 558848632 /nfs/dbraw/zinc/84/86/32/558848632.db2.gz XFWBVZLYKTZAPZ-ZAWLATJESA-N 1 1 400.548 2.665 40 0 HFABMO COc1ccccc1-c1ccccc1C[C@H]1C[N@@H+](Cc2cnn(C)c2)CCNC1=O ZINC000019290705 558863089 /nfs/dbraw/zinc/86/30/89/558863089.db2.gz MBFZAJMCLPMTIM-FQEVSTJZSA-N 1 1 404.514 2.886 40 0 HFABMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335803 558869857 /nfs/dbraw/zinc/86/98/57/558869857.db2.gz SMMDPYXXZWJSLN-LAUBAEHRSA-N 1 1 417.525 2.576 40 0 HFABMO O=C(C1CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343593 558872443 /nfs/dbraw/zinc/87/24/43/558872443.db2.gz QHQZHQZGVRGQGY-MRXNPFEDSA-N 1 1 412.559 2.896 40 0 HFABMO O=C(c1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019347447 558873848 /nfs/dbraw/zinc/87/38/48/558873848.db2.gz CXYWMOJEWXUCLT-OAHLLOKOSA-N 1 1 410.493 2.839 40 0 HFABMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O)N1CCC(O)CC1 ZINC000019372623 558879797 /nfs/dbraw/zinc/87/97/97/558879797.db2.gz LFGVDLCMRPVDGZ-JYFHCDHNSA-N 1 1 418.537 2.917 40 0 HFABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019403707 558884456 /nfs/dbraw/zinc/88/44/56/558884456.db2.gz YFZUHXYONKUMKM-FQEVSTJZSA-N 1 1 422.533 2.618 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019463347 558894301 /nfs/dbraw/zinc/89/43/01/558894301.db2.gz ULFOUKLGNKCACO-AKCHCHLHSA-N 1 1 410.493 2.787 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019463347 558894303 /nfs/dbraw/zinc/89/43/03/558894303.db2.gz ULFOUKLGNKCACO-AKCHCHLHSA-N 1 1 410.493 2.787 40 0 HFABMO CCc1c(C)noc1-c1cnc(NCCC[NH+]2CCOCC2)nc1-c1cnc(C)cn1 ZINC000019521802 558902804 /nfs/dbraw/zinc/90/28/04/558902804.db2.gz QYBIWHDGRPEZPE-UHFFFAOYSA-N 1 1 423.521 2.902 40 0 HFABMO Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000019552837 558916188 /nfs/dbraw/zinc/91/61/88/558916188.db2.gz SINYLJWLVHEMRV-UHFFFAOYSA-N 1 1 415.563 2.734 40 0 HFABMO O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)NCCC[NH+]1CCOCC1 ZINC000019596755 558946320 /nfs/dbraw/zinc/94/63/20/558946320.db2.gz JZYFHKANDZZHSZ-HWKANZROSA-N 1 1 402.347 2.720 40 0 HFABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000072358535 558954057 /nfs/dbraw/zinc/95/40/57/558954057.db2.gz ASULAHHFWHPLOE-QGZVFWFLSA-N 1 1 400.910 2.835 40 0 HFABMO O=C(CN1CCC[N@H+](Cc2cccc(F)c2)CC1)N1CCC[C@H](c2csnn2)C1 ZINC000072372998 558960887 /nfs/dbraw/zinc/96/08/87/558960887.db2.gz IAJCKCYBIUDIQZ-SFHVURJKSA-N 1 1 417.554 2.591 40 0 HFABMO O=C(CNC(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705992 558968533 /nfs/dbraw/zinc/96/85/33/558968533.db2.gz PTESNEHGPCGJKW-FQEVSTJZSA-N 1 1 421.545 2.599 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019708836 558971532 /nfs/dbraw/zinc/97/15/32/558971532.db2.gz IFWGITACCLTFAW-MRXNPFEDSA-N 1 1 418.545 2.936 40 0 HFABMO COc1ccccc1CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711325 558973413 /nfs/dbraw/zinc/97/34/13/558973413.db2.gz GAOJSMLPFOXGDU-GOSISDBHSA-N 1 1 409.534 2.811 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000072399050 558976570 /nfs/dbraw/zinc/97/65/70/558976570.db2.gz GYIXNGBNPZDIMQ-HLLBOEOZSA-N 1 1 412.559 2.752 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](c2ccccc2)C1 ZINC000257280125 558999581 /nfs/dbraw/zinc/99/95/81/558999581.db2.gz OJNQMSQXNKPZBC-LEWJYISDSA-N 1 1 420.557 2.775 40 0 HFABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585102263 559026073 /nfs/dbraw/zinc/02/60/73/559026073.db2.gz VUGDMYBWJWJEJH-RUZDIDTESA-N 1 1 421.541 2.908 40 0 HFABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585102263 559026075 /nfs/dbraw/zinc/02/60/75/559026075.db2.gz VUGDMYBWJWJEJH-RUZDIDTESA-N 1 1 421.541 2.908 40 0 HFABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103159 559026557 /nfs/dbraw/zinc/02/65/57/559026557.db2.gz DZEKBMPSTNKACA-PMACEKPBSA-N 1 1 400.519 2.644 40 0 HFABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103159 559026558 /nfs/dbraw/zinc/02/65/58/559026558.db2.gz DZEKBMPSTNKACA-PMACEKPBSA-N 1 1 400.519 2.644 40 0 HFABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103491 559026645 /nfs/dbraw/zinc/02/66/45/559026645.db2.gz GYDOQOCNTNRFKG-SFHVURJKSA-N 1 1 400.548 2.990 40 0 HFABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107474 559027956 /nfs/dbraw/zinc/02/79/56/559027956.db2.gz XAPBHRIMDFCPAQ-XMMPIXPASA-N 1 1 401.514 2.951 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccncc1)CC3 ZINC000096036325 559089936 /nfs/dbraw/zinc/08/99/36/559089936.db2.gz NGSOOOKWUDLEDJ-GBXCKJPGSA-N 1 1 410.562 2.658 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144365 559096646 /nfs/dbraw/zinc/09/66/46/559096646.db2.gz RXHWNTHRSJIHGL-QHCPKHFHSA-N 1 1 414.550 2.501 40 0 HFABMO COc1cccc(CC(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3cccnc3)CC2)c1 ZINC000096145289 559097241 /nfs/dbraw/zinc/09/72/41/559097241.db2.gz DWOUILIHZJRVLF-ZJSXRUAMSA-N 1 1 422.529 2.584 40 0 HFABMO Cc1nc2nnc3ccc(C(=O)N4CC[NH+](C)CC4)cc3c2n1Cc1ccccc1 ZINC000096146599 559098025 /nfs/dbraw/zinc/09/80/25/559098025.db2.gz IEZZCQNSLXUABF-UHFFFAOYSA-N 1 1 400.486 2.724 40 0 HFABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 ZINC000096155063 559099362 /nfs/dbraw/zinc/09/93/62/559099362.db2.gz JMWYVOXUIZTRHY-UHFFFAOYSA-N 1 1 400.486 2.965 40 0 HFABMO Cc1ccc(CNC(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5cccnc5)C4)n3c2)o1 ZINC000096156205 559100286 /nfs/dbraw/zinc/10/02/86/559100286.db2.gz DHELOKOJXZOBBA-GOSISDBHSA-N 1 1 416.485 2.945 40 0 HFABMO Cc1ccc(CC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000096262733 559106680 /nfs/dbraw/zinc/10/66/80/559106680.db2.gz QHYRSJRBNPFUCQ-VWLOTQADSA-N 1 1 411.590 2.966 40 0 HFABMO CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@@H+](C)Cc1ccc(F)cc1 ZINC000585262258 559110755 /nfs/dbraw/zinc/11/07/55/559110755.db2.gz AMMCWMVZBHCCRO-PBASOCQRSA-N 1 1 406.885 2.996 40 0 HFABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(COc2ccc(C)cc2)CC1 ZINC000585274168 559118519 /nfs/dbraw/zinc/11/85/19/559118519.db2.gz TWOXYBJDTLNIRB-DEOSSOPVSA-N 1 1 412.530 2.916 40 0 HFABMO CC(C)[N@@H+](Cc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585290561 559123344 /nfs/dbraw/zinc/12/33/44/559123344.db2.gz CRXHZOUIGQABBL-GGAORHGYSA-N 1 1 416.949 2.727 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccccn1)C2 ZINC000097952820 559124932 /nfs/dbraw/zinc/12/49/32/559124932.db2.gz SFRSKRLAZAEQBR-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccn1)C2 ZINC000097952820 559124933 /nfs/dbraw/zinc/12/49/33/559124933.db2.gz SFRSKRLAZAEQBR-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004895545 560611107 /nfs/dbraw/zinc/61/11/07/560611107.db2.gz MGMOQUGEPKWIJB-UHFFFAOYSA-N 1 1 413.453 2.863 40 0 HFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001841 560620236 /nfs/dbraw/zinc/62/02/36/560620236.db2.gz FEGCIHWFMHLMOZ-GOSISDBHSA-N 1 1 408.502 2.601 40 0 HFABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019220822 560872064 /nfs/dbraw/zinc/87/20/64/560872064.db2.gz VGYYWAYQTYQMQQ-OAQYLSRUSA-N 1 1 421.549 2.665 40 0 HFABMO CCOc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019532749 560873965 /nfs/dbraw/zinc/87/39/65/560873965.db2.gz PHCXNOMBUHASKW-NRFANRHFSA-N 1 1 410.497 2.596 40 0 HFABMO COc1ccc(Cn2nnnc2[C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000019589925 560874415 /nfs/dbraw/zinc/87/44/15/560874415.db2.gz NWVBNLVVVMQVRG-FQEVSTJZSA-N 1 1 412.925 2.720 40 0 HFABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019823633 560875867 /nfs/dbraw/zinc/87/58/67/560875867.db2.gz ZBGUDNIZFLENBH-UHFFFAOYSA-N 1 1 416.591 2.564 40 0 HFABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1c(F)cccc1F ZINC000020414159 560884018 /nfs/dbraw/zinc/88/40/18/560884018.db2.gz VEGLHESQKBVWJI-UHFFFAOYSA-N 1 1 403.429 2.669 40 0 HFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731086 568496482 /nfs/dbraw/zinc/49/64/82/568496482.db2.gz DDRDDUOQMUYICI-VBKZILBWSA-N 1 1 417.506 2.749 40 0 HFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731086 568496484 /nfs/dbraw/zinc/49/64/84/568496484.db2.gz DDRDDUOQMUYICI-VBKZILBWSA-N 1 1 417.506 2.749 40 0 HFABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)ccc21 ZINC000225052484 568611340 /nfs/dbraw/zinc/61/13/40/568611340.db2.gz SOCOHUNUTLZQGM-SFHVURJKSA-N 1 1 407.580 2.919 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000260890386 568743099 /nfs/dbraw/zinc/74/30/99/568743099.db2.gz CYPMXRJOAMAJCS-IBGZPJMESA-N 1 1 421.607 2.634 40 0 HFABMO O=C(C[NH+]1CCCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257247907 568789648 /nfs/dbraw/zinc/78/96/48/568789648.db2.gz JBCPERMBGIRNDB-FQEVSTJZSA-N 1 1 418.925 2.680 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000257275943 568797323 /nfs/dbraw/zinc/79/73/23/568797323.db2.gz NRQAXXFGDGEDTN-QHCPKHFHSA-N 1 1 413.566 2.982 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124183 568887265 /nfs/dbraw/zinc/88/72/65/568887265.db2.gz BIQKRLOSIWIFIY-DLBZAZTESA-N 1 1 421.476 2.982 40 0 HFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306129032 568891603 /nfs/dbraw/zinc/89/16/03/568891603.db2.gz HRXMZVZVIGNGHZ-HSZRJFAPSA-N 1 1 402.454 2.581 40 0 HFABMO CN1C[C@@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306129590 568892133 /nfs/dbraw/zinc/89/21/33/568892133.db2.gz IHQJFZLVBUXROI-FQEVSTJZSA-N 1 1 417.550 2.869 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306130359 568892702 /nfs/dbraw/zinc/89/27/02/568892702.db2.gz JDKBTWHNXDXAHP-UKILVPOCSA-N 1 1 414.509 2.874 40 0 HFABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306131594 568893981 /nfs/dbraw/zinc/89/39/81/568893981.db2.gz KJJYIUYJPPTEJW-ZWKOTPCHSA-N 1 1 405.506 2.612 40 0 HFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306136339 568898107 /nfs/dbraw/zinc/89/81/07/568898107.db2.gz PQMUAVORWZQSIC-DLBZAZTESA-N 1 1 417.469 2.563 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136808 568898745 /nfs/dbraw/zinc/89/87/45/568898745.db2.gz QDYQFGBNTAUZCX-HOTGVXAUSA-N 1 1 406.465 2.677 40 0 HFABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137147 568899189 /nfs/dbraw/zinc/89/91/89/568899189.db2.gz QMQXVXDYDKHLOA-GHTZIAJQSA-N 1 1 402.564 2.990 40 0 HFABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O ZINC000306144016 568905405 /nfs/dbraw/zinc/90/54/05/568905405.db2.gz YTLNYUDMBXKTHO-HXUWFJFHSA-N 1 1 422.572 2.731 40 0 HFABMO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)[nH+]1 ZINC000329024958 568973249 /nfs/dbraw/zinc/97/32/49/568973249.db2.gz PDVALSHZQQUWID-ZDUSSCGKSA-N 1 1 401.536 2.775 40 0 HFABMO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C2CC2)n1 ZINC000329024958 568973251 /nfs/dbraw/zinc/97/32/51/568973251.db2.gz PDVALSHZQQUWID-ZDUSSCGKSA-N 1 1 401.536 2.775 40 0 HFABMO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245227900 569313688 /nfs/dbraw/zinc/31/36/88/569313688.db2.gz YDHNHBFVZHYVEZ-JTHBVZDNSA-N 1 1 418.545 2.908 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235379 569344790 /nfs/dbraw/zinc/34/47/90/569344790.db2.gz FHTPZEHCBQTDKZ-WMZHIEFXSA-N 1 1 410.518 2.815 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000019292028 569345378 /nfs/dbraw/zinc/34/53/78/569345378.db2.gz ROOULFYYWGUYBD-ZJOUEHCJSA-N 1 1 412.578 2.940 40 0 HFABMO COc1ccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000019589334 569345776 /nfs/dbraw/zinc/34/57/76/569345776.db2.gz DIFOXHHUTGAHPN-GHTZIAJQSA-N 1 1 423.513 2.572 40 0 HFABMO COc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000019589334 569345777 /nfs/dbraw/zinc/34/57/77/569345777.db2.gz DIFOXHHUTGAHPN-GHTZIAJQSA-N 1 1 423.513 2.572 40 0 HFABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(=O)N(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738689 569348567 /nfs/dbraw/zinc/34/85/67/569348567.db2.gz BYHFDDJTXCTVMG-QFIPXVFZSA-N 1 1 417.575 2.835 40 0 HFABMO Cc1nc([C@]2(O)CCC[N@H+](CC(=O)N(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738689 569348568 /nfs/dbraw/zinc/34/85/68/569348568.db2.gz BYHFDDJTXCTVMG-QFIPXVFZSA-N 1 1 417.575 2.835 40 0 HFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035876487 557829509 /nfs/dbraw/zinc/82/95/09/557829509.db2.gz RVKGMCXDGHVMIK-YMTYPPQLSA-N 1 1 409.486 2.599 40 0 HFABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3c(cc(OC)cc3OC)[nH]2)CC1 ZINC000012143552 558335475 /nfs/dbraw/zinc/33/54/75/558335475.db2.gz FZJJRXHHVDAZCY-UHFFFAOYSA-N 1 1 412.490 2.611 40 0 HFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)CC1 ZINC000020197033 558345477 /nfs/dbraw/zinc/34/54/77/558345477.db2.gz JNXLGOJMMCRGBG-UHFFFAOYSA-N 1 1 404.536 2.912 40 0 HFABMO O=C(NCCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944350 558746191 /nfs/dbraw/zinc/74/61/91/558746191.db2.gz WYZQNEFREOANCI-INIZCTEOSA-N 1 1 400.350 2.654 40 0 HFABMO O=C(NCCN1CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944350 558746192 /nfs/dbraw/zinc/74/61/92/558746192.db2.gz WYZQNEFREOANCI-INIZCTEOSA-N 1 1 400.350 2.654 40 0 HFABMO COc1ccc(CCn2nnnc2[C@H](C(C)C)[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000082061322 558827638 /nfs/dbraw/zinc/82/76/38/558827638.db2.gz ASFBLJDTBFNXEY-IBGZPJMESA-N 1 1 416.526 2.877 40 0 HFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116591 558842129 /nfs/dbraw/zinc/84/21/29/558842129.db2.gz YZSRPVCPQIZQOE-WMZHIEFXSA-N 1 1 404.518 2.770 40 0 HFABMO Cc1ccc(OCC[N@@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019211085 558848293 /nfs/dbraw/zinc/84/82/93/558848293.db2.gz WEPBOTSDOVZZBJ-HYBUGGRVSA-N 1 1 408.498 2.656 40 0 HFABMO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019288998 558861897 /nfs/dbraw/zinc/86/18/97/558861897.db2.gz WOQSZBCYQFBBBG-UHFFFAOYSA-N 1 1 405.502 2.885 40 0 HFABMO O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293507 558865212 /nfs/dbraw/zinc/86/52/12/558865212.db2.gz BGINVEPEYSJTCH-INIZCTEOSA-N 1 1 410.493 2.839 40 0 HFABMO Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000019371434 558879247 /nfs/dbraw/zinc/87/92/47/558879247.db2.gz ZCBOEVSHBCJLLB-YADHBBJMSA-N 1 1 406.509 2.924 40 0 HFABMO CC[C@H](C)C(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4nccs4)CC3)ccc21 ZINC000019499899 558898141 /nfs/dbraw/zinc/89/81/41/558898141.db2.gz CHHNQVSTAWXJKN-JXFKEZNVSA-N 1 1 414.575 2.934 40 0 HFABMO CCS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1sccc1C)CC2 ZINC000019520323 558901295 /nfs/dbraw/zinc/90/12/95/558901295.db2.gz XIZJWASBQWPCHO-MRXNPFEDSA-N 1 1 422.576 2.597 40 0 HFABMO CCc1nc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n[nH]3)CC2)cc(C)[nH+]1 ZINC000019523141 558904240 /nfs/dbraw/zinc/90/42/40/558904240.db2.gz IBAXIKRMWSZEAK-UHFFFAOYSA-N 1 1 406.490 2.709 40 0 HFABMO CCn1cc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cn1 ZINC000019524857 558906019 /nfs/dbraw/zinc/90/60/19/558906019.db2.gz GLKDNCOHXIMQKZ-MRXNPFEDSA-N 1 1 424.549 2.719 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)cc1 ZINC000019555490 558918288 /nfs/dbraw/zinc/91/82/88/558918288.db2.gz LTYCBBZAWBDMNY-FQEVSTJZSA-N 1 1 408.502 2.823 40 0 HFABMO CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccncc2C)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334371 558935309 /nfs/dbraw/zinc/93/53/09/558935309.db2.gz OMUFFSVSHWWILR-RDGATRHJSA-N 1 1 420.557 2.805 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343010 558940647 /nfs/dbraw/zinc/94/06/47/558940647.db2.gz SFHFTUGTFJFNDS-IBNJYYFUSA-N 1 1 405.445 2.892 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)N2CCCN(Cc3ccccn3)CC2)c1 ZINC000019661196 558952324 /nfs/dbraw/zinc/95/23/24/558952324.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 1 1 408.546 2.789 40 0 HFABMO Cc1nonc1CNC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372238 558959486 /nfs/dbraw/zinc/95/94/86/558959486.db2.gz XGKVJLDKSLDIHP-FQEVSTJZSA-N 1 1 412.534 2.843 40 0 HFABMO COCCOc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000072389858 558970242 /nfs/dbraw/zinc/97/02/42/558970242.db2.gz SOBKBPRAGYPKBW-LIMIJEPZSA-N 1 1 415.534 2.574 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390055 558970316 /nfs/dbraw/zinc/97/03/16/558970316.db2.gz XYJTYJVZCMAXJG-HNNXBMFYSA-N 1 1 411.462 2.932 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710306 558972101 /nfs/dbraw/zinc/97/21/01/558972101.db2.gz RCJNONMIHALVLK-INIZCTEOSA-N 1 1 418.545 2.936 40 0 HFABMO COc1ccc2[nH]c(C[N@@H+]3[C@@H]4CC[C@H]3CC(O)(Cn3nc(C)ccc3=O)C4)c(C)c2c1 ZINC000072394806 558973811 /nfs/dbraw/zinc/97/38/11/558973811.db2.gz RCVBHQRESFXNRI-QLCVBSLISA-N 1 1 422.529 2.908 40 0 HFABMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716349 558978103 /nfs/dbraw/zinc/97/81/03/558978103.db2.gz JTTCKFIYNWLQMI-OAHLLOKOSA-N 1 1 421.501 2.557 40 0 HFABMO Cc1[nH+]ccn1CC1CCN(C(=O)[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000019717196 558979591 /nfs/dbraw/zinc/97/95/91/558979591.db2.gz QOKXCNKPPGYIDE-OAQYLSRUSA-N 1 1 400.498 2.643 40 0 HFABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102580 559026255 /nfs/dbraw/zinc/02/62/55/559026255.db2.gz AGZRTZFLTDPFAB-WMZHIEFXSA-N 1 1 415.484 2.899 40 0 HFABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104586 559027248 /nfs/dbraw/zinc/02/72/48/559027248.db2.gz QTXCENXIZPDXQH-FKBYEOEOSA-N 1 1 415.578 2.647 40 0 HFABMO CC(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@@H]2C1 ZINC000585106065 559028237 /nfs/dbraw/zinc/02/82/37/559028237.db2.gz ITPJSZSTEHLFDK-HUUCEWRRSA-N 1 1 411.472 2.558 40 0 HFABMO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(C)C)C[C@@H]12 ZINC000585106083 559028450 /nfs/dbraw/zinc/02/84/50/559028450.db2.gz KDWWZMGMGOPALD-MSOLQXFVSA-N 1 1 419.953 2.657 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106228 559028517 /nfs/dbraw/zinc/02/85/17/559028517.db2.gz GLZSDVLZEYBTGA-YADHBBJMSA-N 1 1 421.516 2.607 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cncc(C)c2)CC3)C1=O ZINC000096144312 559096668 /nfs/dbraw/zinc/09/66/68/559096668.db2.gz KBGMINLWRNJKJB-XMMPIXPASA-N 1 1 412.578 2.823 40 0 HFABMO COc1cccc(-c2cccc3c([C@@H]4CN(S(=O)(=O)C5CC5)CCO4)[nH+]cn32)c1 ZINC000096155864 559099936 /nfs/dbraw/zinc/09/99/36/559099936.db2.gz ADGZGXBFQLCGLE-FQEVSTJZSA-N 1 1 413.499 2.875 40 0 HFABMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096226072 559102607 /nfs/dbraw/zinc/10/26/07/559102607.db2.gz MRQBOVZMIDBFCV-JOCHJYFZSA-N 1 1 411.433 2.592 40 0 HFABMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096226072 559102608 /nfs/dbraw/zinc/10/26/08/559102608.db2.gz MRQBOVZMIDBFCV-JOCHJYFZSA-N 1 1 411.433 2.592 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000585262555 559111101 /nfs/dbraw/zinc/11/11/01/559111101.db2.gz SWCBPTTZDBTUHT-NRFANRHFSA-N 1 1 406.567 2.540 40 0 HFABMO Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCc4ccccn4)cc3)C2)ncn1 ZINC000585269643 559115793 /nfs/dbraw/zinc/11/57/93/559115793.db2.gz FUJFIAWEBPXTPM-DEOSSOPVSA-N 1 1 419.529 2.832 40 0 HFABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284571 559121164 /nfs/dbraw/zinc/12/11/64/559121164.db2.gz YJJSXVJQCCKBTE-DEOSSOPVSA-N 1 1 418.578 2.663 40 0 HFABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206826 559282427 /nfs/dbraw/zinc/28/24/27/559282427.db2.gz BFALIRLPTAVUNV-LJQANCHMSA-N 1 1 411.502 2.879 40 0 HFABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000257206825 559282444 /nfs/dbraw/zinc/28/24/44/559282444.db2.gz BFALIRLPTAVUNV-IBGZPJMESA-N 1 1 411.502 2.879 40 0 HFABMO Cc1nc(COC[C@@H]2CC[N@H+](C)C3(CN(C(=O)c4cccc(O)c4)C3)C2)cs1 ZINC000575403135 560546896 /nfs/dbraw/zinc/54/68/96/560546896.db2.gz IWNDKTVUSYTOKE-MRXNPFEDSA-N 1 1 401.532 2.910 40 0 HFABMO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004895572 560611199 /nfs/dbraw/zinc/61/11/99/560611199.db2.gz AEAOINUNQBBRSS-UHFFFAOYSA-N 1 1 411.437 2.633 40 0 HFABMO Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@@H]2c1ccc(Cl)cc1 ZINC000009289354 560757816 /nfs/dbraw/zinc/75/78/16/560757816.db2.gz ZQBMZTDFXPCXMT-SFHVURJKSA-N 1 1 400.914 2.609 40 0 HFABMO Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@@H]2c1ccc(Cl)cc1 ZINC000009289354 560757817 /nfs/dbraw/zinc/75/78/17/560757817.db2.gz ZQBMZTDFXPCXMT-SFHVURJKSA-N 1 1 400.914 2.609 40 0 HFABMO CCOc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019532747 560873935 /nfs/dbraw/zinc/87/39/35/560873935.db2.gz PHCXNOMBUHASKW-OAQYLSRUSA-N 1 1 410.497 2.596 40 0 HFABMO c1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140633 560881396 /nfs/dbraw/zinc/88/13/96/560881396.db2.gz QNGRWJFGRMPRSD-XZOQPEGZSA-N 1 1 418.545 2.759 40 0 HFABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)ccc21 ZINC000224329320 568578018 /nfs/dbraw/zinc/57/80/18/568578018.db2.gz MRXIMJIOZVHLJI-UHFFFAOYSA-N 1 1 424.526 2.958 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000225526899 568647343 /nfs/dbraw/zinc/64/73/43/568647343.db2.gz WDVNESVKTCJJQQ-WOJBJXKFSA-N 1 1 421.607 2.634 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000260908011 568743970 /nfs/dbraw/zinc/74/39/70/568743970.db2.gz WDVNESVKTCJJQQ-UXHICEINSA-N 1 1 421.607 2.634 40 0 HFABMO Cc1ccnc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924741 568746023 /nfs/dbraw/zinc/74/60/23/568746023.db2.gz OYTFHVVQSBUCNU-QHCPKHFHSA-N 1 1 409.534 2.692 40 0 HFABMO O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257214987 568780324 /nfs/dbraw/zinc/78/03/24/568780324.db2.gz COEXDCLYQCYQCG-DEOSSOPVSA-N 1 1 408.546 2.704 40 0 HFABMO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257240388 568787644 /nfs/dbraw/zinc/78/76/44/568787644.db2.gz HTEVZNCJYQZSKP-HXUWFJFHSA-N 1 1 423.561 2.874 40 0 HFABMO Cn1nc(C(=O)N2CCCCC[C@@H]3[N@@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)ccc1=O ZINC000257252183 568790902 /nfs/dbraw/zinc/79/09/02/568790902.db2.gz JTVJPCBYHIQBGN-IZIIKQMZSA-N 1 1 408.546 2.871 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329792 568812968 /nfs/dbraw/zinc/81/29/68/568812968.db2.gz XLOHRFBLJFGGAD-DEOSSOPVSA-N 1 1 418.578 2.956 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306123713 568886805 /nfs/dbraw/zinc/88/68/05/568886805.db2.gz AUMPLFCLXHOHPA-GOSISDBHSA-N 1 1 407.514 2.865 40 0 HFABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306123714 568886903 /nfs/dbraw/zinc/88/69/03/568886903.db2.gz AUMPLFCLXHOHPA-SFHVURJKSA-N 1 1 407.514 2.865 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)s1 ZINC000306126273 568888790 /nfs/dbraw/zinc/88/87/90/568888790.db2.gz DRDZGKMFGMDDLF-ZWKOTPCHSA-N 1 1 407.543 2.882 40 0 HFABMO COc1ncccc1C[NH+]1CCC2(CC1)CN(C)C(=O)c1cn(-c3ccccc3)nc12 ZINC000306129134 568891928 /nfs/dbraw/zinc/89/19/28/568891928.db2.gz HVMMBDFRGMRKBZ-UHFFFAOYSA-N 1 1 417.513 2.895 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4OC)C[C@H]32)cc1 ZINC000306134194 568896069 /nfs/dbraw/zinc/89/60/69/568896069.db2.gz NFOHUJQJHBBYQE-FCHUYYIVSA-N 1 1 418.497 2.982 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4OC)C[C@H]32)cc1 ZINC000306134194 568896071 /nfs/dbraw/zinc/89/60/71/568896071.db2.gz NFOHUJQJHBBYQE-FCHUYYIVSA-N 1 1 418.497 2.982 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4OC)C[C@@H]32)cc1 ZINC000306134197 568896169 /nfs/dbraw/zinc/89/61/69/568896169.db2.gz NFOHUJQJHBBYQE-YADHBBJMSA-N 1 1 418.497 2.982 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4OC)C[C@@H]32)cc1 ZINC000306134197 568896170 /nfs/dbraw/zinc/89/61/70/568896170.db2.gz NFOHUJQJHBBYQE-YADHBBJMSA-N 1 1 418.497 2.982 40 0 HFABMO Cc1ccsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306136596 568898391 /nfs/dbraw/zinc/89/83/91/568898391.db2.gz PXTKDMPSOKCXEW-ROUUACIJSA-N 1 1 407.543 2.882 40 0 HFABMO Cc1ccsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306136597 568898448 /nfs/dbraw/zinc/89/84/48/568898448.db2.gz PXTKDMPSOKCXEW-ZWKOTPCHSA-N 1 1 407.543 2.882 40 0 HFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3cccc(C)n3)C2)cc1 ZINC000306137066 568898997 /nfs/dbraw/zinc/89/89/97/568898997.db2.gz QKSMOHAJJDKOOI-HSZRJFAPSA-N 1 1 403.486 2.565 40 0 HFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144273 568905577 /nfs/dbraw/zinc/90/55/77/568905577.db2.gz ZAUYUNSRSGWILJ-VWNXMTODSA-N 1 1 407.514 2.697 40 0 HFABMO C[C@@H](CO)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329039165 571310346 /nfs/dbraw/zinc/31/03/46/571310346.db2.gz RWQISXTZXHOUBR-LBPRGKRZSA-N 1 1 403.324 3.472 40 0 HFABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070644 521657827 /nfs/dbraw/zinc/65/78/27/521657827.db2.gz WNTUSXSJYKZOTL-LBPRGKRZSA-N 1 1 407.877 2.679 40 0 HFABMO CN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12 ZINC000100202086 557267841 /nfs/dbraw/zinc/26/78/41/557267841.db2.gz INAWKYYRGFLTDR-DBYOASNMSA-N 1 1 401.466 2.532 40 0 HFABMO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc(OC)ccc2OC)CC1 ZINC000035290788 557676225 /nfs/dbraw/zinc/67/62/25/557676225.db2.gz KJVZRFFMSBVTQN-IBGZPJMESA-N 1 1 402.543 2.562 40 0 HFABMO Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)C[NH+]3CCCCC3)[C@@H]2C(C)C)cc1 ZINC000006009381 557684163 /nfs/dbraw/zinc/68/41/63/557684163.db2.gz AOTICUSQQDCENT-GHTZIAJQSA-N 1 1 407.580 2.684 40 0 HFABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012131754 558333007 /nfs/dbraw/zinc/33/30/07/558333007.db2.gz AZIGQRWIAUJEEC-HKUYNNGSSA-N 1 1 421.607 2.817 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020452279 558366627 /nfs/dbraw/zinc/36/66/27/558366627.db2.gz WYCFFOKRFMIHNS-MRXNPFEDSA-N 1 1 412.515 2.652 40 0 HFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000022863857 558517873 /nfs/dbraw/zinc/51/78/73/558517873.db2.gz LYTYKTFMUCWBTJ-OAHLLOKOSA-N 1 1 405.543 2.711 40 0 HFABMO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000036741252 558802086 /nfs/dbraw/zinc/80/20/86/558802086.db2.gz QZMRZCBOQXWXPO-OAQYLSRUSA-N 1 1 423.561 2.658 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752843 558802982 /nfs/dbraw/zinc/80/29/82/558802982.db2.gz VPVUTAVNCJOMIO-INIZCTEOSA-N 1 1 403.486 2.803 40 0 HFABMO CCN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000038755782 558814547 /nfs/dbraw/zinc/81/45/47/558814547.db2.gz IZUJDCRYSXIRCV-UHFFFAOYSA-N 1 1 412.515 2.897 40 0 HFABMO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000019214681 558849747 /nfs/dbraw/zinc/84/97/47/558849747.db2.gz BEJMEYWYEUSFOK-MRXNPFEDSA-N 1 1 420.535 2.536 40 0 HFABMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335793 558869944 /nfs/dbraw/zinc/86/99/44/558869944.db2.gz SMMDPYXXZWJSLN-UWJYYQICSA-N 1 1 417.525 2.576 40 0 HFABMO COc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000055259380 558877924 /nfs/dbraw/zinc/87/79/24/558877924.db2.gz BJPXXTIMYUMFEY-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 ZINC000019448413 558887468 /nfs/dbraw/zinc/88/74/68/558887468.db2.gz BTKWVCQFUOUUJY-KRWDZBQOSA-N 1 1 410.474 2.655 40 0 HFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450085 558888714 /nfs/dbraw/zinc/88/87/14/558888714.db2.gz RVQQECCEYCUEKW-OALUTQOASA-N 1 1 411.525 2.956 40 0 HFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000019500312 558898533 /nfs/dbraw/zinc/89/85/33/558898533.db2.gz KTVNIAPHOMRKHM-SFHVURJKSA-N 1 1 404.555 2.942 40 0 HFABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)[nH]c(=O)c2C1 ZINC000019501590 558899746 /nfs/dbraw/zinc/89/97/46/558899746.db2.gz QRIQPYOVAFUUQF-GOSISDBHSA-N 1 1 424.545 2.843 40 0 HFABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523559 558904627 /nfs/dbraw/zinc/90/46/27/558904627.db2.gz AABREMRLSFBYBA-KNQAVFIVSA-N 1 1 420.561 2.749 40 0 HFABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3c(ccc(OC)c3OC)[nH]2)CC1 ZINC000019523613 558904919 /nfs/dbraw/zinc/90/49/19/558904919.db2.gz KJWCDBKPFIFNFW-UHFFFAOYSA-N 1 1 412.490 2.611 40 0 HFABMO CSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019574123 558931830 /nfs/dbraw/zinc/93/18/30/558931830.db2.gz WYECRBYHUKEYKS-MRXNPFEDSA-N 1 1 400.552 2.652 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583795 558938140 /nfs/dbraw/zinc/93/81/40/558938140.db2.gz RFUNNJPYRIUQHL-MBSDFSHPSA-N 1 1 412.534 2.759 40 0 HFABMO CCCC(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000072338451 558938253 /nfs/dbraw/zinc/93/82/53/558938253.db2.gz USGUCNKZFHIZJX-LJQANCHMSA-N 1 1 408.550 2.797 40 0 HFABMO Cc1nc2sccn2c1C[NH+]1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338950 558938458 /nfs/dbraw/zinc/93/84/58/558938458.db2.gz NOLUSDYKESZUOU-GOSISDBHSA-N 1 1 417.560 2.646 40 0 HFABMO Cc1cc(C)n2nc(C3=CC[N@@H+](C[C@@H](O)c4ccc5c(c4)OCCO5)CC3)cc2n1 ZINC000072342770 558940574 /nfs/dbraw/zinc/94/05/74/558940574.db2.gz QOLYIQIWVVGVPY-HXUWFJFHSA-N 1 1 406.486 2.940 40 0 HFABMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)[NH+]2CCCC2)c1 ZINC000019662833 558953882 /nfs/dbraw/zinc/95/38/82/558953882.db2.gz FAQJRJUMFHHDLZ-GOSISDBHSA-N 1 1 417.487 2.657 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373078 558960783 /nfs/dbraw/zinc/96/07/83/558960783.db2.gz BMZDMHVZCICRRQ-SFTDATJTSA-N 1 1 420.557 2.775 40 0 HFABMO CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000019697303 558964927 /nfs/dbraw/zinc/96/49/27/558964927.db2.gz AYIZSEZTSRWWGH-NRFANRHFSA-N 1 1 421.545 2.569 40 0 HFABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019708419 558970764 /nfs/dbraw/zinc/97/07/64/558970764.db2.gz AAARUTPZKYTBRC-INIZCTEOSA-N 1 1 409.534 2.948 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000019708841 558971417 /nfs/dbraw/zinc/97/14/17/558971417.db2.gz QKODWCVMKQDYCR-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO COc1ccccc1CCNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711328 558973683 /nfs/dbraw/zinc/97/36/83/558973683.db2.gz ZGZKNMMHUQXLBO-IBGZPJMESA-N 1 1 423.561 2.854 40 0 HFABMO CCc1ncc(CN2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cn1 ZINC000257333402 559013443 /nfs/dbraw/zinc/01/34/43/559013443.db2.gz YBJMESQPADEKCN-FCHUYYIVSA-N 1 1 409.578 2.828 40 0 HFABMO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100764 559024037 /nfs/dbraw/zinc/02/40/37/559024037.db2.gz VSYXGUZULFTZHV-HSZRJFAPSA-N 1 1 411.550 2.514 40 0 HFABMO O=C(CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1F)CC2)N1CCCC1 ZINC000585100859 559025497 /nfs/dbraw/zinc/02/54/97/559025497.db2.gz ZBGPJHDANPZFQX-QFIPXVFZSA-N 1 1 405.489 2.934 40 0 HFABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103240 559026571 /nfs/dbraw/zinc/02/65/71/559026571.db2.gz APTONOXBOMNECJ-NRFANRHFSA-N 1 1 400.548 2.912 40 0 HFABMO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106074 559028293 /nfs/dbraw/zinc/02/82/93/559028293.db2.gz IYGZBWTXQOOYNN-CVEARBPZSA-N 1 1 407.917 2.788 40 0 HFABMO Cc1ncnc(C(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@@H+](C)C5)c3CC2)c1C ZINC000585110300 559029703 /nfs/dbraw/zinc/02/97/03/559029703.db2.gz BNDZDNCGUIHEHV-UHFFFAOYSA-N 1 1 402.502 2.670 40 0 HFABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5CC(O)C5)CCO4)[nH+]cn3c2)cc1 ZINC000585113126 559030941 /nfs/dbraw/zinc/03/09/41/559030941.db2.gz FQSBYQMWEJABBU-NGICGMGXSA-N 1 1 407.470 2.681 40 0 HFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172738 559068783 /nfs/dbraw/zinc/06/87/83/559068783.db2.gz DDQQDGNDMXOZGR-FQEVSTJZSA-N 1 1 423.557 2.951 40 0 HFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585172742 559068803 /nfs/dbraw/zinc/06/88/03/559068803.db2.gz DDQQDGNDMXOZGR-HXUWFJFHSA-N 1 1 423.557 2.951 40 0 HFABMO Cc1nc(-c2nc(C(=O)N3CC[NH+](C)CC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155176 559099489 /nfs/dbraw/zinc/09/94/89/559099489.db2.gz XRRCBQWKGKMVTL-UHFFFAOYSA-N 1 1 414.513 2.942 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000585262562 559111161 /nfs/dbraw/zinc/11/11/61/559111161.db2.gz SWCBPTTZDBTUHT-OAQYLSRUSA-N 1 1 406.567 2.540 40 0 HFABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)cc1 ZINC000585271557 559115767 /nfs/dbraw/zinc/11/57/67/559115767.db2.gz ZQGWMOGLAIQXSB-HXUWFJFHSA-N 1 1 411.502 2.842 40 0 HFABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274191 559118542 /nfs/dbraw/zinc/11/85/42/559118542.db2.gz UHNKJMUCVYSAII-QFIPXVFZSA-N 1 1 414.546 2.789 40 0 HFABMO CC(=O)N1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282786 559120200 /nfs/dbraw/zinc/12/02/00/559120200.db2.gz HXFCJJGGGWWLKA-PZJWPPBQSA-N 1 1 403.542 2.880 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](C)CCN4C(C)C)n3c2)c1 ZINC000107281557 559165075 /nfs/dbraw/zinc/16/50/75/559165075.db2.gz KRDJLYRCCOLXJZ-IBGZPJMESA-N 1 1 408.506 2.687 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](C)CCN4C(C)C)n3c2)c1 ZINC000107281557 559165076 /nfs/dbraw/zinc/16/50/76/559165076.db2.gz KRDJLYRCCOLXJZ-IBGZPJMESA-N 1 1 408.506 2.687 40 0 HFABMO CC[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2OC)CC1 ZINC000019528102 560874793 /nfs/dbraw/zinc/87/47/93/560874793.db2.gz JZXOXDLLFLRREW-JOCHJYFZSA-N 1 1 406.534 2.651 40 0 HFABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc12 ZINC000019940847 560877248 /nfs/dbraw/zinc/87/72/48/560877248.db2.gz PFYZWIWDLYZVNQ-OAQYLSRUSA-N 1 1 421.549 2.583 40 0 HFABMO c1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140627 560881367 /nfs/dbraw/zinc/88/13/67/560881367.db2.gz QNGRWJFGRMPRSD-GOTSBHOMSA-N 1 1 418.545 2.759 40 0 HFABMO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030598 560890836 /nfs/dbraw/zinc/89/08/36/560890836.db2.gz RFGWBVZSAUGHTQ-SFHVURJKSA-N 1 1 404.894 2.626 40 0 HFABMO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022874218 560891148 /nfs/dbraw/zinc/89/11/48/560891148.db2.gz VTAIZNMVHLWARG-KRWDZBQOSA-N 1 1 404.894 2.626 40 0 HFABMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000223190305 568540653 /nfs/dbraw/zinc/54/06/53/568540653.db2.gz HHDSUHABEWUIEB-UHFFFAOYSA-N 1 1 422.934 2.853 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224295255 568576825 /nfs/dbraw/zinc/57/68/25/568576825.db2.gz FEBTYCKUXYUFIB-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225677661 568663389 /nfs/dbraw/zinc/66/33/89/568663389.db2.gz PUYFILDNFFKKKP-UHFFFAOYSA-N 1 1 414.512 2.573 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000260843215 568741922 /nfs/dbraw/zinc/74/19/22/568741922.db2.gz PKHZAQKBLBNRFJ-FQEVSTJZSA-N 1 1 409.596 2.527 40 0 HFABMO CNC(=O)c1sc2nc([C@]3(C)CCC[N@H+](C4CCN(C)CC4)C3)ccc2c1N ZINC000257201311 568776351 /nfs/dbraw/zinc/77/63/51/568776351.db2.gz AHCYPNGFGLHTBM-OAQYLSRUSA-N 1 1 401.580 2.686 40 0 HFABMO CNC(=O)c1sc2nc([C@]3(C)CCCN(C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201311 568776352 /nfs/dbraw/zinc/77/63/52/568776352.db2.gz AHCYPNGFGLHTBM-OAQYLSRUSA-N 1 1 401.580 2.686 40 0 HFABMO O=C(NCCn1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204572 568777451 /nfs/dbraw/zinc/77/74/51/568777451.db2.gz AVGHVQGKTUAPTI-IBGZPJMESA-N 1 1 404.518 2.732 40 0 HFABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)cc2ccccc21 ZINC000257216156 568780812 /nfs/dbraw/zinc/78/08/12/568780812.db2.gz CTKBFWQZCWNBOV-GOSISDBHSA-N 1 1 422.533 2.845 40 0 HFABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)cc2ccccc21 ZINC000257216156 568780814 /nfs/dbraw/zinc/78/08/14/568780814.db2.gz CTKBFWQZCWNBOV-GOSISDBHSA-N 1 1 422.533 2.845 40 0 HFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257241315 568787946 /nfs/dbraw/zinc/78/79/46/568787946.db2.gz HXPQQVCVSVQWNQ-XMMPIXPASA-N 1 1 421.545 2.530 40 0 HFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257241315 568787948 /nfs/dbraw/zinc/78/79/48/568787948.db2.gz HXPQQVCVSVQWNQ-XMMPIXPASA-N 1 1 421.545 2.530 40 0 HFABMO COc1ccc([C@H]2C[N@@H+](CC(C)(C)CN3CCOCC3)[C@@H]3CCOC[C@@H]32)cc1OC ZINC000257295278 568802846 /nfs/dbraw/zinc/80/28/46/568802846.db2.gz QXRIKIRNJNMRNE-NJDAHSKKSA-N 1 1 418.578 2.867 40 0 HFABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306123228 568886325 /nfs/dbraw/zinc/88/63/25/568886325.db2.gz AHUQFWLTVNYRDP-VWLOTQADSA-N 1 1 416.525 2.519 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306124166 568887260 /nfs/dbraw/zinc/88/72/60/568887260.db2.gz BIDZOQMXHYZDLS-LEWJYISDSA-N 1 1 401.514 2.821 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306124169 568887312 /nfs/dbraw/zinc/88/73/12/568887312.db2.gz BIDZOQMXHYZDLS-SFTDATJTSA-N 1 1 401.514 2.821 40 0 HFABMO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306127426 568890253 /nfs/dbraw/zinc/89/02/53/568890253.db2.gz FYLZZDWVMZNSOW-IRLDBZIGSA-N 1 1 416.591 2.971 40 0 HFABMO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306127426 568890255 /nfs/dbraw/zinc/89/02/55/568890255.db2.gz FYLZZDWVMZNSOW-IRLDBZIGSA-N 1 1 416.591 2.971 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135901 568897829 /nfs/dbraw/zinc/89/78/29/568897829.db2.gz PEBRGZHAEDBTTO-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137149 568899202 /nfs/dbraw/zinc/89/92/02/568899202.db2.gz QMQXVXDYDKHLOA-RXVVDRJESA-N 1 1 402.564 2.990 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4scnc4C)C[C@@H]2C3)cc1 ZINC000306138838 568900561 /nfs/dbraw/zinc/90/05/61/568900561.db2.gz SIRZFRUFOBEFLJ-LSDHHAIUSA-N 1 1 424.530 2.608 40 0 HFABMO COc1ccccc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306142824 568904418 /nfs/dbraw/zinc/90/44/18/568904418.db2.gz XLDHINRYTJVFGK-IAGOWNOFSA-N 1 1 421.476 2.982 40 0 HFABMO CCOC[C@]1([NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218184933 568927668 /nfs/dbraw/zinc/92/76/68/568927668.db2.gz VUQCLWYTWIYGGI-QYZOEREBSA-N 1 1 409.891 2.742 40 0 HFABMO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)C2(CN)C[NH3+])cc1 ZINC000218227383 568928549 /nfs/dbraw/zinc/92/85/49/568928549.db2.gz ONIUQALVLXKTAU-IRXDYDNUSA-N 1 1 409.349 2.601 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000253590875 569318026 /nfs/dbraw/zinc/31/80/26/569318026.db2.gz GQEJABFVPSXWEN-ZTNFWEORSA-N 1 1 407.518 2.845 40 0 HFABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000253590875 569318027 /nfs/dbraw/zinc/31/80/27/569318027.db2.gz GQEJABFVPSXWEN-ZTNFWEORSA-N 1 1 407.518 2.845 40 0 HFABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000034668507 569351548 /nfs/dbraw/zinc/35/15/48/569351548.db2.gz HQSHEDPQECTBBZ-NRFANRHFSA-N 1 1 409.530 2.926 40 0 HFABMO O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccc1 ZINC000096533292 291230623 /nfs/dbraw/zinc/23/06/23/291230623.db2.gz VLCYTNCQOKSFGG-UUFXTFJOSA-N 1 1 408.542 2.584 40 0 biogenic,in-vitro HFABMO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1O ZINC000005702464 557669188 /nfs/dbraw/zinc/66/91/88/557669188.db2.gz TUVXIMBJINJKCP-GXTWGEPZSA-N 1 1 405.292 2.944 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1O ZINC000005702464 557669191 /nfs/dbraw/zinc/66/91/91/557669191.db2.gz TUVXIMBJINJKCP-GXTWGEPZSA-N 1 1 405.292 2.944 40 0 HFABMO COc1cc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1OCC(N)=O ZINC000012122175 558330827 /nfs/dbraw/zinc/33/08/27/558330827.db2.gz LHFVXINOYZBHKE-UHFFFAOYSA-N 1 1 412.486 2.503 40 0 HFABMO CCn1nc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)c2ccccc2c1=O ZINC000012156476 558340566 /nfs/dbraw/zinc/34/05/66/558340566.db2.gz PMVMZAIDLGSVPT-JOCHJYFZSA-N 1 1 422.529 2.921 40 0 HFABMO CCn1nc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)c2ccccc2c1=O ZINC000012156476 558340568 /nfs/dbraw/zinc/34/05/68/558340568.db2.gz PMVMZAIDLGSVPT-JOCHJYFZSA-N 1 1 422.529 2.921 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020491831 558378231 /nfs/dbraw/zinc/37/82/31/558378231.db2.gz IUXMAXMJQCCPMZ-QGZVFWFLSA-N 1 1 423.579 2.755 40 0 HFABMO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)CN1CCN(C)CC1 ZINC000023093261 558534135 /nfs/dbraw/zinc/53/41/35/558534135.db2.gz BHLONGOILDBCEH-VXMMSVGHSA-N 1 1 401.595 2.783 40 0 HFABMO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)CN1CCN(C)CC1 ZINC000023093261 558534138 /nfs/dbraw/zinc/53/41/38/558534138.db2.gz BHLONGOILDBCEH-VXMMSVGHSA-N 1 1 401.595 2.783 40 0 HFABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000029259266 558712504 /nfs/dbraw/zinc/71/25/04/558712504.db2.gz QJUIHVSQCFLTFW-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741255 558802023 /nfs/dbraw/zinc/80/20/23/558802023.db2.gz OVHNOZJNDFAGER-NRFANRHFSA-N 1 1 423.561 2.658 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCC(C)CC1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286128 558860333 /nfs/dbraw/zinc/86/03/33/558860333.db2.gz HPZJRQZBJFXFMG-UHFFFAOYSA-N 1 1 408.546 2.805 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCC(C)CC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286128 558860335 /nfs/dbraw/zinc/86/03/35/558860335.db2.gz HPZJRQZBJFXFMG-UHFFFAOYSA-N 1 1 408.546 2.805 40 0 HFABMO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019343143 558872497 /nfs/dbraw/zinc/87/24/97/558872497.db2.gz FXLKULBVFURJIQ-HNNXBMFYSA-N 1 1 412.559 2.691 40 0 HFABMO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019405584 558884852 /nfs/dbraw/zinc/88/48/52/558884852.db2.gz MTTYWHYKJANDFO-SFHVURJKSA-N 1 1 417.513 2.876 40 0 HFABMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019496365 558895223 /nfs/dbraw/zinc/89/52/23/558895223.db2.gz HRWNLWZLTCLSLP-OFNKIYASSA-N 1 1 409.578 2.918 40 0 HFABMO CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019532865 558912788 /nfs/dbraw/zinc/91/27/88/558912788.db2.gz XUENDVLDDIIANS-QGZVFWFLSA-N 1 1 410.518 2.518 40 0 HFABMO Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000019552891 558916243 /nfs/dbraw/zinc/91/62/43/558916243.db2.gz OHJPZCXUGCEMFO-UHFFFAOYSA-N 1 1 415.563 2.734 40 0 HFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)Cc3cccnc3)CC2)n(C)n1 ZINC000019562492 558923102 /nfs/dbraw/zinc/92/31/02/558923102.db2.gz BOUFNEXHQDYHBL-UHFFFAOYSA-N 1 1 410.547 2.570 40 0 HFABMO C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 ZINC000019588162 558940195 /nfs/dbraw/zinc/94/01/95/558940195.db2.gz NSQRBEHUFRTAGB-UHFFFAOYSA-N 1 1 419.485 2.937 40 0 HFABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353281 558950150 /nfs/dbraw/zinc/95/01/50/558950150.db2.gz RYQAGXFYDAYBOA-IBGZPJMESA-N 1 1 424.549 2.660 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371357 558958077 /nfs/dbraw/zinc/95/80/77/558958077.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 1 1 410.440 2.928 40 0 HFABMO CN(C)C(=O)C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371357 558958081 /nfs/dbraw/zinc/95/80/81/558958081.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 1 1 410.440 2.928 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371357 558958084 /nfs/dbraw/zinc/95/80/84/558958084.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 1 1 410.440 2.928 40 0 HFABMO CC(C)(C)NC(=O)CNC(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706073 558968736 /nfs/dbraw/zinc/96/87/36/558968736.db2.gz OHFNYVPVTSOPAY-SFHVURJKSA-N 1 1 409.534 2.501 40 0 HFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711323 558973488 /nfs/dbraw/zinc/97/34/88/558973488.db2.gz SHENDDVUCVVADH-MRXNPFEDSA-N 1 1 414.579 2.610 40 0 HFABMO COc1ccccc1CCNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711327 558973668 /nfs/dbraw/zinc/97/36/68/558973668.db2.gz ZGZKNMMHUQXLBO-LJQANCHMSA-N 1 1 423.561 2.854 40 0 HFABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2)N1CCCC1 ZINC000585101787 559024717 /nfs/dbraw/zinc/02/47/17/559024717.db2.gz GJZALKAEGGSWMX-QFIPXVFZSA-N 1 1 403.954 2.962 40 0 HFABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2)N1CCCC1 ZINC000585101787 559024719 /nfs/dbraw/zinc/02/47/19/559024719.db2.gz GJZALKAEGGSWMX-QFIPXVFZSA-N 1 1 403.954 2.962 40 0 HFABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585106063 559028307 /nfs/dbraw/zinc/02/83/07/559028307.db2.gz ITPJSZSTEHLFDK-CABCVRRESA-N 1 1 411.472 2.558 40 0 HFABMO CC(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@H]2C1 ZINC000585106064 559028320 /nfs/dbraw/zinc/02/83/20/559028320.db2.gz ITPJSZSTEHLFDK-GJZGRUSLSA-N 1 1 411.472 2.558 40 0 HFABMO Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106035 559028324 /nfs/dbraw/zinc/02/83/24/559028324.db2.gz GJJRKQVEERLVLI-RTWAWAEBSA-N 1 1 412.578 2.763 40 0 HFABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056147 559093812 /nfs/dbraw/zinc/09/38/12/559093812.db2.gz DDQASADPCXHWGX-RDPSFJRHSA-N 1 1 423.536 2.861 40 0 HFABMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000096262261 559106395 /nfs/dbraw/zinc/10/63/95/559106395.db2.gz BEWUZNXMIHYVGC-LEWJYISDSA-N 1 1 419.529 2.668 40 0 HFABMO COc1ccc(-c2cccc(C(=O)N3CC[C@](O)(C[NH+]4CCOCC4)C3)c2C)cc1 ZINC000585293951 559126880 /nfs/dbraw/zinc/12/68/80/559126880.db2.gz CYQLKMAXLFUOAJ-DEOSSOPVSA-N 1 1 410.514 2.580 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)ccc1C(N)=O ZINC000100658299 559137477 /nfs/dbraw/zinc/13/74/77/559137477.db2.gz DUKURWOHCSXGNN-IXFSTUDKSA-N 1 1 420.557 2.936 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)ccc1C(N)=O ZINC000100658299 559137478 /nfs/dbraw/zinc/13/74/78/559137478.db2.gz DUKURWOHCSXGNN-IXFSTUDKSA-N 1 1 420.557 2.936 40 0 HFABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000257256577 559284771 /nfs/dbraw/zinc/28/47/71/559284771.db2.gz KMBFROXHLBXJAP-LJQANCHMSA-N 1 1 411.502 2.879 40 0 HFABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2ccc(C)cc2C)CC1 ZINC000257264643 559284844 /nfs/dbraw/zinc/28/48/44/559284844.db2.gz LVKHHHXAICTLPS-UHFFFAOYSA-N 1 1 412.530 2.834 40 0 HFABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCOCCO)cc2)c(C)c1 ZINC000257284450 559285303 /nfs/dbraw/zinc/28/53/03/559285303.db2.gz PCTPEIPDPAEVML-NRFANRHFSA-N 1 1 403.519 2.563 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257311784 559286275 /nfs/dbraw/zinc/28/62/75/559286275.db2.gz UKZMULWUGNIHPA-HXUWFJFHSA-N 1 1 404.551 2.830 40 0 HFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566226 560813673 /nfs/dbraw/zinc/81/36/73/560813673.db2.gz DDRDDUOQMUYICI-JLTOFOAXSA-N 1 1 417.506 2.749 40 0 HFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566226 560813674 /nfs/dbraw/zinc/81/36/74/560813674.db2.gz DDRDDUOQMUYICI-JLTOFOAXSA-N 1 1 417.506 2.749 40 0 HFABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019522949 560874524 /nfs/dbraw/zinc/87/45/24/560874524.db2.gz LXVTTZXMNRUJQO-NRFANRHFSA-N 1 1 421.549 2.529 40 0 HFABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2F)CC1 ZINC000019528088 560874746 /nfs/dbraw/zinc/87/47/46/560874746.db2.gz UVQJAYHHYGOGAO-NRFANRHFSA-N 1 1 410.497 2.596 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000224210121 568573935 /nfs/dbraw/zinc/57/39/35/568573935.db2.gz XKIGEDSCBZYTHF-UHFFFAOYSA-N 1 1 415.559 2.906 40 0 HFABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202302 568776780 /nfs/dbraw/zinc/77/67/80/568776780.db2.gz ALFBLGQKGPSJNT-HSZRJFAPSA-N 1 1 416.525 2.832 40 0 HFABMO COCCNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccn(C)n3)C2)cc2ccccc21 ZINC000257216157 568780836 /nfs/dbraw/zinc/78/08/36/568780836.db2.gz CTKBFWQZCWNBOV-SFHVURJKSA-N 1 1 422.533 2.845 40 0 HFABMO COCCNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccn(C)n3)C2)cc2ccccc21 ZINC000257216157 568780838 /nfs/dbraw/zinc/78/08/38/568780838.db2.gz CTKBFWQZCWNBOV-SFHVURJKSA-N 1 1 422.533 2.845 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221772 568782540 /nfs/dbraw/zinc/78/25/40/568782540.db2.gz DQLGNLGLMRZYPB-QHCPKHFHSA-N 1 1 403.567 2.732 40 0 HFABMO CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2C)C1 ZINC000257314480 568808597 /nfs/dbraw/zinc/80/85/97/568808597.db2.gz UXELCQRKOGHREM-DEOSSOPVSA-N 1 1 417.513 2.555 40 0 HFABMO O=C(c1n[nH]c2ccccc21)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257322664 568811255 /nfs/dbraw/zinc/81/12/55/568811255.db2.gz WGXSGXPDRNWMCT-DEOSSOPVSA-N 1 1 404.514 2.978 40 0 HFABMO O=C(c1[nH]nc2ccccc21)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257322664 568811258 /nfs/dbraw/zinc/81/12/58/568811258.db2.gz WGXSGXPDRNWMCT-DEOSSOPVSA-N 1 1 404.514 2.978 40 0 HFABMO O=C(c1[nH]nc2ccccc21)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257322664 568811261 /nfs/dbraw/zinc/81/12/61/568811261.db2.gz WGXSGXPDRNWMCT-DEOSSOPVSA-N 1 1 404.514 2.978 40 0 HFABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306123199 568886407 /nfs/dbraw/zinc/88/64/07/568886407.db2.gz AHEYWKHEKRHMJC-DLBZAZTESA-N 1 1 423.496 2.751 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127325 568890052 /nfs/dbraw/zinc/89/00/52/568890052.db2.gz FVSMCYSPJBBRCU-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO O=C(NCc1ccccc1)C1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306129862 568892335 /nfs/dbraw/zinc/89/23/35/568892335.db2.gz IOZMRFPRZNGVLE-XZOQPEGZSA-N 1 1 418.541 2.859 40 0 HFABMO COCCN1C[C@@]2(CC[N@@H+](Cc3cccc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306135833 568897724 /nfs/dbraw/zinc/89/77/24/568897724.db2.gz PCGLWXUBYRRTIO-QFIPXVFZSA-N 1 1 416.543 2.669 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)n1 ZINC000306136807 568898731 /nfs/dbraw/zinc/89/87/31/568898731.db2.gz QDYQFGBNTAUZCX-CVEARBPZSA-N 1 1 406.465 2.677 40 0 HFABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138788 568900666 /nfs/dbraw/zinc/90/06/66/568900666.db2.gz SHNJHNGWUCIZQU-REWPJTCUSA-N 1 1 410.566 2.909 40 0 HFABMO Cc1ncsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306140990 568902731 /nfs/dbraw/zinc/90/27/31/568902731.db2.gz VIIWNZRPFCRWKK-ZIAGYGMSSA-N 1 1 412.494 2.739 40 0 HFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144272 568905589 /nfs/dbraw/zinc/90/55/89/568905589.db2.gz ZAUYUNSRSGWILJ-UPVQGACJSA-N 1 1 407.514 2.697 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306144430 568905843 /nfs/dbraw/zinc/90/58/43/568905843.db2.gz ZEVFRJQLQLXKDB-GOSISDBHSA-N 1 1 407.514 2.865 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000006325888 569330944 /nfs/dbraw/zinc/33/09/44/569330944.db2.gz MUEBUGDSZZOPFK-UHFFFAOYSA-N 1 1 421.950 2.699 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 ZINC000006953429 569335659 /nfs/dbraw/zinc/33/56/59/569335659.db2.gz TUALHOHEZBCECB-UHFFFAOYSA-N 1 1 415.559 2.739 40 0 HFABMO CN1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccccc4F)CC3)cs2)CC1 ZINC000225471659 291220740 /nfs/dbraw/zinc/22/07/40/291220740.db2.gz SXHPQHGMGZEMQL-UHFFFAOYSA-N 1 1 404.555 2.513 40 0 biogenic,in-vitro HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)C1 ZINC000044883596 525382423 /nfs/dbraw/zinc/38/24/23/525382423.db2.gz QHAQWQYEKISTIZ-OKILXGFUSA-N 1 1 401.960 2.809 40 0 HFABMO Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CC[NH+](C)CC4)cc3C[C@@H]2C)cc1 ZINC000010327076 557860158 /nfs/dbraw/zinc/86/01/58/557860158.db2.gz QYOAKEIWLBFZJQ-KRWDZBQOSA-N 1 1 413.543 2.523 40 0 HFABMO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753204 558272497 /nfs/dbraw/zinc/27/24/97/558272497.db2.gz NJPGENPNHSVZOO-CQSZACIVSA-N 1 1 401.898 2.568 40 0 HFABMO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753204 558272499 /nfs/dbraw/zinc/27/24/99/558272499.db2.gz NJPGENPNHSVZOO-CQSZACIVSA-N 1 1 401.898 2.568 40 0 HFABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766317 558278455 /nfs/dbraw/zinc/27/84/55/558278455.db2.gz WJRRQFUUPOZHAW-GOSISDBHSA-N 1 1 407.518 2.839 40 0 HFABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766317 558278457 /nfs/dbraw/zinc/27/84/57/558278457.db2.gz WJRRQFUUPOZHAW-GOSISDBHSA-N 1 1 407.518 2.839 40 0 HFABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012131749 558332992 /nfs/dbraw/zinc/33/29/92/558332992.db2.gz AZIGQRWIAUJEEC-MJGOQNOKSA-N 1 1 421.607 2.817 40 0 HFABMO CC(C)n1c2ccc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc2oc1=O ZINC000012220625 558355691 /nfs/dbraw/zinc/35/56/91/558355691.db2.gz GAYZMRDTTMCKIS-GOSISDBHSA-N 1 1 421.494 2.896 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235391 558358548 /nfs/dbraw/zinc/35/85/48/558358548.db2.gz GKCXMOHFFZFBDD-JPYJTQIMSA-N 1 1 412.534 2.759 40 0 HFABMO O=C1CCc2cc(S(=O)(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012239038 558359650 /nfs/dbraw/zinc/35/96/50/558359650.db2.gz GOBWERKELMLQPO-GOSISDBHSA-N 1 1 413.543 2.762 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000020458154 558371211 /nfs/dbraw/zinc/37/12/11/558371211.db2.gz BUFGDBBNSCLEMP-UHFFFAOYSA-N 1 1 407.923 2.919 40 0 HFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711317 558576041 /nfs/dbraw/zinc/57/60/41/558576041.db2.gz NZQSETBFCLLEFL-OAQYLSRUSA-N 1 1 415.559 2.576 40 0 HFABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc(-c3nnc(C)o3)c2)CC1 ZINC000026892447 558666292 /nfs/dbraw/zinc/66/62/92/558666292.db2.gz FYKZHAJQLBLBJO-LJQANCHMSA-N 1 1 424.501 2.616 40 0 in-man HFABMO COc1ccc(CCn2nnnc2[C@@H](C(C)C)[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000082061326 558827557 /nfs/dbraw/zinc/82/75/57/558827557.db2.gz ASFBLJDTBFNXEY-LJQANCHMSA-N 1 1 416.526 2.877 40 0 HFABMO O=C(COc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227435 558841898 /nfs/dbraw/zinc/84/18/98/558841898.db2.gz OJVZGPJZLJTQQW-UHFFFAOYSA-N 1 1 419.319 2.977 40 0 HFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H](c4cccnc4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116594 558842088 /nfs/dbraw/zinc/84/20/88/558842088.db2.gz RKLFXSSWFJOESM-NZQKXSOJSA-N 1 1 404.518 2.770 40 0 HFABMO COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291422 558863780 /nfs/dbraw/zinc/86/37/80/558863780.db2.gz KDUPLEOWWVFRDE-LIMIJEPZSA-N 1 1 407.518 2.939 40 0 HFABMO COc1cccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](C(C)C)CC2)c1 ZINC000019448629 558887359 /nfs/dbraw/zinc/88/73/59/558887359.db2.gz ULPGYWTUOHISGQ-UHFFFAOYSA-N 1 1 420.513 2.602 40 0 HFABMO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)cc1 ZINC000019457821 558892495 /nfs/dbraw/zinc/89/24/95/558892495.db2.gz RSCBKVSEFGGVCR-WMZHIEFXSA-N 1 1 419.529 2.857 40 0 HFABMO C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497026 558895958 /nfs/dbraw/zinc/89/59/58/558895958.db2.gz SLIBWIIPRUNMKY-KRWDZBQOSA-N 1 1 409.534 2.984 40 0 HFABMO CCCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)n1 ZINC000019526115 558907462 /nfs/dbraw/zinc/90/74/62/558907462.db2.gz MKTZWZGRWYIKQM-IBGZPJMESA-N 1 1 412.538 2.923 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC(F)F ZINC000019559774 558920879 /nfs/dbraw/zinc/92/08/79/558920879.db2.gz JUTDJAWOHKFXAU-UHFFFAOYSA-N 1 1 420.460 2.581 40 0 HFABMO COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)cc1OC ZINC000019560216 558921311 /nfs/dbraw/zinc/92/13/11/558921311.db2.gz UCMTUTHHKGSMSL-OALUTQOASA-N 1 1 415.534 2.500 40 0 HFABMO COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1OC ZINC000019560216 558921314 /nfs/dbraw/zinc/92/13/14/558921314.db2.gz UCMTUTHHKGSMSL-OALUTQOASA-N 1 1 415.534 2.500 40 0 HFABMO COc1ccccc1C[N@H+]1CCC[C@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570399 558929324 /nfs/dbraw/zinc/92/93/24/558929324.db2.gz XMHAQJHNFJWLKM-QFIPXVFZSA-N 1 1 416.543 2.884 40 0 HFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575818 558932765 /nfs/dbraw/zinc/93/27/65/558932765.db2.gz ZTQDARNKWLARFX-JBACZVJFSA-N 1 1 410.562 2.605 40 0 HFABMO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@H+]3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326511 558933613 /nfs/dbraw/zinc/93/36/13/558933613.db2.gz FAOJJDMFNZOAEQ-GHUGBGHDSA-N 1 1 408.546 2.671 40 0 HFABMO CC(C)NC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334460 558935714 /nfs/dbraw/zinc/93/57/14/558935714.db2.gz SKFGWGMBEGWHKN-FTGWLVSGSA-N 1 1 423.532 2.938 40 0 HFABMO Cc1nc2sccn2c1C[NH+]1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000072338951 558938494 /nfs/dbraw/zinc/93/84/94/558938494.db2.gz NOLUSDYKESZUOU-SFHVURJKSA-N 1 1 417.560 2.646 40 0 HFABMO COc1ncc([C@@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343013 558940638 /nfs/dbraw/zinc/94/06/38/558940638.db2.gz SFHFTUGTFJFNDS-JRQSSSKMSA-N 1 1 405.445 2.892 40 0 HFABMO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019593851 558945100 /nfs/dbraw/zinc/94/51/00/558945100.db2.gz ZVQYVFDGMRJANI-MRXNPFEDSA-N 1 1 411.531 2.857 40 0 HFABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019593851 558945101 /nfs/dbraw/zinc/94/51/01/558945101.db2.gz ZVQYVFDGMRJANI-MRXNPFEDSA-N 1 1 411.531 2.857 40 0 HFABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019593846 558945174 /nfs/dbraw/zinc/94/51/74/558945174.db2.gz FFBKQRMWYDJBOU-MRXNPFEDSA-N 1 1 411.531 2.857 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595107 558945771 /nfs/dbraw/zinc/94/57/71/558945771.db2.gz QJOVQFYDHITVMJ-INIZCTEOSA-N 1 1 407.474 2.624 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658724 558950704 /nfs/dbraw/zinc/95/07/04/558950704.db2.gz RQNZPSPJEZZCJC-MRXNPFEDSA-N 1 1 408.502 2.890 40 0 HFABMO CNC(=O)c1ccc(-c2ccc([C@@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)nc2)cn1 ZINC000019691811 558961148 /nfs/dbraw/zinc/96/11/48/558961148.db2.gz TUWNARWPXUNQNY-NRFANRHFSA-N 1 1 407.518 2.653 40 0 HFABMO CNC(=O)c1ccc(-c2ccc([C@@H]3CCC[N@H+]3CC(=O)N3CCCCC3)nc2)cn1 ZINC000019691811 558961150 /nfs/dbraw/zinc/96/11/50/558961150.db2.gz TUWNARWPXUNQNY-NRFANRHFSA-N 1 1 407.518 2.653 40 0 HFABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4cccnc4NC)C3)n2)ncn1 ZINC000072378085 558967243 /nfs/dbraw/zinc/96/72/43/558967243.db2.gz JMDCQNYEZKOGNP-OAHLLOKOSA-N 1 1 405.510 2.868 40 0 HFABMO CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000019705985 558968478 /nfs/dbraw/zinc/96/84/78/558968478.db2.gz CPTYUSITVHRPCY-LJQANCHMSA-N 1 1 424.520 2.951 40 0 HFABMO CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CC[N@H+](C)C2 ZINC000019707351 558969721 /nfs/dbraw/zinc/96/97/21/558969721.db2.gz IPNWLKSAYFAMCH-FQEVSTJZSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019707351 558969723 /nfs/dbraw/zinc/96/97/23/558969723.db2.gz IPNWLKSAYFAMCH-FQEVSTJZSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@H+](C)C2 ZINC000019707436 558969988 /nfs/dbraw/zinc/96/99/88/558969988.db2.gz BVYHNLNPWNJKLK-LJQANCHMSA-N 1 1 415.563 2.649 40 0 HFABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@@H+](C)C2 ZINC000019707436 558969991 /nfs/dbraw/zinc/96/99/91/558969991.db2.gz BVYHNLNPWNJKLK-LJQANCHMSA-N 1 1 415.563 2.649 40 0 HFABMO O=C(C[NH+]1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)N1CCCc2ccccc21 ZINC000072389384 558970025 /nfs/dbraw/zinc/97/00/25/558970025.db2.gz SXIJNRXESBJILM-UHFFFAOYSA-N 1 1 421.545 2.504 40 0 HFABMO CCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 ZINC000072389652 558970188 /nfs/dbraw/zinc/97/01/88/558970188.db2.gz GWHUNPBJZJVFNX-UHFFFAOYSA-N 1 1 400.548 2.815 40 0 HFABMO CNc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CC[N@H+](C)C2 ZINC000019708632 558971039 /nfs/dbraw/zinc/97/10/39/558971039.db2.gz UUAHARZLSQQPES-LJQANCHMSA-N 1 1 413.497 2.778 40 0 HFABMO CNc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019708632 558971041 /nfs/dbraw/zinc/97/10/41/558971041.db2.gz UUAHARZLSQQPES-LJQANCHMSA-N 1 1 413.497 2.778 40 0 HFABMO O=C(COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1)N1CCCC1 ZINC000072392552 558972167 /nfs/dbraw/zinc/97/21/67/558972167.db2.gz CYPQUNBYZVVWRU-HOKHCIIBSA-N 1 1 421.541 2.812 40 0 HFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc5cccnc54)C[C@H]32)c(OC)n1 ZINC000072392596 558972427 /nfs/dbraw/zinc/97/24/27/558972427.db2.gz SDPDBYZLSYVUBU-XKDCRVNJSA-N 1 1 406.486 2.772 40 0 HFABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105102 559027539 /nfs/dbraw/zinc/02/75/39/559027539.db2.gz XZORPAJWEVTDTP-UYAOXDASSA-N 1 1 418.509 2.783 40 0 HFABMO COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105102 559027540 /nfs/dbraw/zinc/02/75/40/559027540.db2.gz XZORPAJWEVTDTP-UYAOXDASSA-N 1 1 418.509 2.783 40 0 HFABMO COc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)c1 ZINC000585109743 559029482 /nfs/dbraw/zinc/02/94/82/559029482.db2.gz NWNYAXSHBKKEME-YQGRKYAMSA-N 1 1 410.489 2.992 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)c1cccc(OC)c1)CC3 ZINC000096143876 559096273 /nfs/dbraw/zinc/09/62/73/559096273.db2.gz KQLYYQFNNHQRNF-GBXCKJPGSA-N 1 1 413.562 2.738 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)NCc3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144026 559096379 /nfs/dbraw/zinc/09/63/79/559096379.db2.gz IJXJOORYAKSDHA-DEOSSOPVSA-N 1 1 412.578 2.799 40 0 HFABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145280 559097259 /nfs/dbraw/zinc/09/72/59/559097259.db2.gz ZTMNNLDFXIOYHJ-IFMALSPDSA-N 1 1 413.543 2.800 40 0 HFABMO COc1cccc(-c2cccc3c([C@H]4CN(S(=O)(=O)C5CC5)CCO4)[nH+]cn32)c1 ZINC000096155865 559099985 /nfs/dbraw/zinc/09/99/85/559099985.db2.gz ADGZGXBFQLCGLE-HXUWFJFHSA-N 1 1 413.499 2.875 40 0 HFABMO C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)C[C@@H](C)O1 ZINC000096156174 559100278 /nfs/dbraw/zinc/10/02/78/559100278.db2.gz JHWLUCMKLCBTBB-QWFCFKBJSA-N 1 1 419.529 2.968 40 0 HFABMO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215464 559101735 /nfs/dbraw/zinc/10/17/35/559101735.db2.gz NNUOTGMFXQLPKF-NRFANRHFSA-N 1 1 408.564 2.598 40 0 HFABMO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096226073 559102588 /nfs/dbraw/zinc/10/25/88/559102588.db2.gz MRQBOVZMIDBFCV-QFIPXVFZSA-N 1 1 411.433 2.592 40 0 HFABMO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096226073 559102589 /nfs/dbraw/zinc/10/25/89/559102589.db2.gz MRQBOVZMIDBFCV-QFIPXVFZSA-N 1 1 411.433 2.592 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCC4)CC3)c3ccccc32)CC1 ZINC000096242255 559103838 /nfs/dbraw/zinc/10/38/38/559103838.db2.gz JORWSCBOWQLJRU-HXUWFJFHSA-N 1 1 409.574 2.998 40 0 HFABMO Cc1ccc(C)c(Cn2c(C[NH+]3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000096306533 559109299 /nfs/dbraw/zinc/10/92/99/559109299.db2.gz JKJDRIBRTFFBGL-IRXDYDNUSA-N 1 1 423.561 2.577 40 0 HFABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262512 559111028 /nfs/dbraw/zinc/11/10/28/559111028.db2.gz HYLUUUBMOZEBMU-GOSISDBHSA-N 1 1 405.491 2.601 40 0 HFABMO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4COCC[NH2+]4)CC3)n2)s1 ZINC000585263172 559111900 /nfs/dbraw/zinc/11/19/00/559111900.db2.gz PKIKKUPKPRTMKH-GOSISDBHSA-N 1 1 415.563 2.929 40 0 HFABMO CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4COCC[NH2+]4)CC3)n2)s1 ZINC000585263173 559111926 /nfs/dbraw/zinc/11/19/26/559111926.db2.gz PKIKKUPKPRTMKH-SFHVURJKSA-N 1 1 415.563 2.929 40 0 HFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 ZINC000585271741 559117683 /nfs/dbraw/zinc/11/76/83/559117683.db2.gz CAAVTYJTVFUZOT-UHFFFAOYSA-N 1 1 400.494 2.965 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCCC[C@@H]4[C@H]3CCN4C(C)=O)CC2)c1 ZINC000585282985 559120338 /nfs/dbraw/zinc/12/03/38/559120338.db2.gz LIPUKAULSYUGRT-FGZHOGPDSA-N 1 1 401.551 2.502 40 0 HFABMO CC(=O)N1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CC[C@H]21 ZINC000585283833 559120826 /nfs/dbraw/zinc/12/08/26/559120826.db2.gz PBLZQYXGFHEPIH-SIKLNZKXSA-N 1 1 403.542 2.880 40 0 HFABMO C[N@H+](Cc1ccc(OCCO)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281815 559285313 /nfs/dbraw/zinc/28/53/13/559285313.db2.gz ORCUFQJPQVXPEA-INIZCTEOSA-N 1 1 423.435 2.919 40 0 HFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2N(C)C3=O)cn1 ZINC000514290107 560030421 /nfs/dbraw/zinc/03/04/21/560030421.db2.gz SBZBEZKKGBLIBW-IRLDBZIGSA-N 1 1 406.461 2.944 40 0 biogenic,in-vitro HFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2N(C)C3=O)cn1 ZINC000514290107 560030423 /nfs/dbraw/zinc/03/04/23/560030423.db2.gz SBZBEZKKGBLIBW-IRLDBZIGSA-N 1 1 406.461 2.944 40 0 biogenic,in-vitro HFABMO CCN(Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224448661 568581534 /nfs/dbraw/zinc/58/15/34/568581534.db2.gz LTWCMLBSRGSCPR-UHFFFAOYSA-N 1 1 415.559 2.675 40 0 HFABMO CN(c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl)S(C)(=O)=O ZINC000225974233 568689582 /nfs/dbraw/zinc/68/95/82/568689582.db2.gz HRSMTHOYRLQAQO-UHFFFAOYSA-N 1 1 421.950 2.694 40 0 HFABMO Cc1ccccc1N(CCCC(=O)NCCC[N@@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000260764778 568738037 /nfs/dbraw/zinc/73/80/37/568738037.db2.gz MJGOGHIEENFBHM-SFHVURJKSA-N 1 1 409.596 2.779 40 0 HFABMO O=C(NCCn1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c2cccnc21)C1CC1 ZINC000257204573 568777562 /nfs/dbraw/zinc/77/75/62/568777562.db2.gz AVGHVQGKTUAPTI-LJQANCHMSA-N 1 1 404.518 2.732 40 0 HFABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335846 568814753 /nfs/dbraw/zinc/81/47/53/568814753.db2.gz YMDBKGPNRGELAK-NRFANRHFSA-N 1 1 411.550 2.684 40 0 HFABMO Cc1nc2cc([C@H]3CCC[N@H+]3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335847 568815064 /nfs/dbraw/zinc/81/50/64/568815064.db2.gz YMDBKGPNRGELAK-OAQYLSRUSA-N 1 1 411.550 2.684 40 0 HFABMO CN1C[C@@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306124576 568887642 /nfs/dbraw/zinc/88/76/42/568887642.db2.gz BTVLIZHEENSBOG-FQEVSTJZSA-N 1 1 417.550 2.869 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125479 568888131 /nfs/dbraw/zinc/88/81/31/568888131.db2.gz CSFQLXMSXQGMIU-MOPGFXCFSA-N 1 1 405.477 2.652 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306126270 568888866 /nfs/dbraw/zinc/88/88/66/568888866.db2.gz DRDZGKMFGMDDLF-MSOLQXFVSA-N 1 1 407.543 2.882 40 0 HFABMO COc1ncccc1C[NH+]1CCC2(CC1)CN(C)C(=O)c1cn(CC3CCC3)nc12 ZINC000306127758 568890629 /nfs/dbraw/zinc/89/06/29/568890629.db2.gz GGPTURFVUZNYSA-UHFFFAOYSA-N 1 1 409.534 2.706 40 0 HFABMO Cc1c(F)cccc1C[N@H+]1C[C@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128143 568891044 /nfs/dbraw/zinc/89/10/44/568891044.db2.gz GRHQVUGYRHNTSR-PKOBYXMFSA-N 1 1 424.520 2.983 40 0 HFABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128313 568891101 /nfs/dbraw/zinc/89/11/01/568891101.db2.gz GWYVGBRSRPQMLO-FDQGKXFDSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128313 568891103 /nfs/dbraw/zinc/89/11/03/568891103.db2.gz GWYVGBRSRPQMLO-FDQGKXFDSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128314 568891167 /nfs/dbraw/zinc/89/11/67/568891167.db2.gz GWYVGBRSRPQMLO-OWQGQXMQSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128314 568891169 /nfs/dbraw/zinc/89/11/69/568891169.db2.gz GWYVGBRSRPQMLO-OWQGQXMQSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cc1 ZINC000306132658 568894735 /nfs/dbraw/zinc/89/47/35/568894735.db2.gz LONFCZPWDJXBPI-YADHBBJMSA-N 1 1 416.525 2.608 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4OC)C[C@@H]32)cc1 ZINC000306134196 568896149 /nfs/dbraw/zinc/89/61/49/568896149.db2.gz NFOHUJQJHBBYQE-VXKWHMMOSA-N 1 1 418.497 2.982 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4OC)C[C@@H]32)cc1 ZINC000306134196 568896152 /nfs/dbraw/zinc/89/61/52/568896152.db2.gz NFOHUJQJHBBYQE-VXKWHMMOSA-N 1 1 418.497 2.982 40 0 HFABMO CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)c3cccnc3)[N@H+]2Cc2ccccc21 ZINC000306138195 568900146 /nfs/dbraw/zinc/90/01/46/568900146.db2.gz RSCSVHFQFOKRSC-WOJBJXKFSA-N 1 1 407.518 2.783 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138236 568900184 /nfs/dbraw/zinc/90/01/84/568900184.db2.gz RSXRIJIMUMDSEM-GGAORHGYSA-N 1 1 420.538 2.935 40 0 HFABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138787 568900687 /nfs/dbraw/zinc/90/06/87/568900687.db2.gz SHNJHNGWUCIZQU-OFNKIYASSA-N 1 1 410.566 2.909 40 0 HFABMO c1nc2c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nccn2c1-c1cccnc1 ZINC000306142493 568904013 /nfs/dbraw/zinc/90/40/13/568904013.db2.gz XARWLACKOIBTAR-UHFFFAOYSA-N 1 1 414.469 2.842 40 0 HFABMO CCOC[C@@]1([NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218184841 568927686 /nfs/dbraw/zinc/92/76/86/568927686.db2.gz VUQCLWYTWIYGGI-CEXWTWQISA-N 1 1 409.891 2.742 40 0 HFABMO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022873134 569042997 /nfs/dbraw/zinc/04/29/97/569042997.db2.gz FWHMFMVFKYFKJE-LJQANCHMSA-N 1 1 420.937 2.915 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000103519449 569048450 /nfs/dbraw/zinc/04/84/50/569048450.db2.gz ZPXAYNDLMJTIIK-CROMWVBPSA-N 1 1 405.429 2.565 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000103519449 569048451 /nfs/dbraw/zinc/04/84/51/569048451.db2.gz ZPXAYNDLMJTIIK-CROMWVBPSA-N 1 1 405.429 2.565 40 0 HFABMO CCc1ccccc1N(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccccc1 ZINC000006356417 569331475 /nfs/dbraw/zinc/33/14/75/569331475.db2.gz BPOXLVSSWJWUNI-UHFFFAOYSA-N 1 1 415.559 2.608 40 0 HFABMO COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCC[N@@H+]3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C ZINC000033833402 291221632 /nfs/dbraw/zinc/22/16/32/291221632.db2.gz JDGNFRYDHRYXNL-ROHJGGRPSA-N 1 1 417.502 2.905 40 0 biogenic,in-vitro HFABMO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4cccnc4)n3)cn2)CC1 ZINC000049155136 291220667 /nfs/dbraw/zinc/22/06/67/291220667.db2.gz NMQGXMFOMXJDCS-IBGZPJMESA-N 1 1 405.506 2.616 40 0 biogenic,in-vitro HFABMO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1 ZINC000004236237 291221959 /nfs/dbraw/zinc/22/19/59/291221959.db2.gz LLAIZKGVYOJYMP-VQTJNVASSA-N 1 1 409.530 2.875 40 0 biogenic,in-vitro HFABMO O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036635263 527185739 /nfs/dbraw/zinc/18/57/39/527185739.db2.gz AQDFBWGMOVMJLY-LJQANCHMSA-N 1 1 409.511 2.990 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000408549399 557396310 /nfs/dbraw/zinc/39/63/10/557396310.db2.gz YWPXNPOJDAAMTN-UHFFFAOYSA-N 1 1 401.532 2.882 40 0 HFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccccc1OC ZINC000035806856 557825020 /nfs/dbraw/zinc/82/50/20/557825020.db2.gz NYRGXQKQJYLSSV-QGCDCVKKSA-N 1 1 409.530 2.557 40 0 HFABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000036719612 557850072 /nfs/dbraw/zinc/85/00/72/557850072.db2.gz BSYPWKCGXZDDHV-QRVBRYPASA-N 1 1 400.567 2.796 40 0 HFABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc(-c3nnc(C)o3)c2)CC1 ZINC000026892453 558666430 /nfs/dbraw/zinc/66/64/30/558666430.db2.gz FYKZHAJQLBLBJO-IBGZPJMESA-N 1 1 424.501 2.616 40 0 in-man HFABMO O=c1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[nH]1 ZINC000019292609 558864544 /nfs/dbraw/zinc/86/45/44/558864544.db2.gz NGRRAISCSPATEA-CYBMUJFWSA-N 1 1 409.317 2.903 40 0 HFABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 ZINC000054672250 558868670 /nfs/dbraw/zinc/86/86/70/558868670.db2.gz FBMCKQVWJLWBBC-INIZCTEOSA-N 1 1 407.305 2.648 40 0 HFABMO O=C(Nc1ccc([C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C1CC1 ZINC000019332397 558868732 /nfs/dbraw/zinc/86/87/32/558868732.db2.gz PHKLVPNWBIIHBN-OAQYLSRUSA-N 1 1 423.513 2.615 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019333182 558868941 /nfs/dbraw/zinc/86/89/41/558868941.db2.gz XRQHOUFLYWIHHM-QGZVFWFLSA-N 1 1 424.520 2.768 40 0 HFABMO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019370108 558878146 /nfs/dbraw/zinc/87/81/46/558878146.db2.gz PGPNKPYMVIHMHI-GOSISDBHSA-N 1 1 406.530 2.629 40 0 HFABMO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019405587 558884923 /nfs/dbraw/zinc/88/49/23/558884923.db2.gz MTTYWHYKJANDFO-GOSISDBHSA-N 1 1 417.513 2.876 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000019448245 558887189 /nfs/dbraw/zinc/88/71/89/558887189.db2.gz RHYIUWJFZMMBFT-IBGZPJMESA-N 1 1 416.472 2.721 40 0 HFABMO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)[nH]n1 ZINC000019451839 558889922 /nfs/dbraw/zinc/88/99/22/558889922.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 1 1 412.538 2.750 40 0 HFABMO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)C1 ZINC000019501125 558898933 /nfs/dbraw/zinc/89/89/33/558898933.db2.gz LFCLFRRBCNJCSV-KRWDZBQOSA-N 1 1 410.518 2.865 40 0 HFABMO CCn1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cn1 ZINC000019524858 558906073 /nfs/dbraw/zinc/90/60/73/558906073.db2.gz GLKDNCOHXIMQKZ-INIZCTEOSA-N 1 1 424.549 2.719 40 0 HFABMO COc1cc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549684 558914406 /nfs/dbraw/zinc/91/44/06/558914406.db2.gz ODIQBJYSFQPGKZ-KRWDZBQOSA-N 1 1 422.485 2.847 40 0 HFABMO Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019580394 558936087 /nfs/dbraw/zinc/93/60/87/558936087.db2.gz XFTNJLOPEHSXCO-LJQANCHMSA-N 1 1 413.522 2.850 40 0 HFABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593542 558944620 /nfs/dbraw/zinc/94/46/20/558944620.db2.gz RWOOXNZGDYCWCV-KRWDZBQOSA-N 1 1 424.501 2.987 40 0 HFABMO COc1cccc([C@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)[NH+]2CCCC2)c1 ZINC000019662835 558953838 /nfs/dbraw/zinc/95/38/38/558953838.db2.gz FAQJRJUMFHHDLZ-SFHVURJKSA-N 1 1 417.487 2.657 40 0 HFABMO CNc1nc([C@@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CC[N@H+](C)C2 ZINC000019708470 558970841 /nfs/dbraw/zinc/97/08/41/558970841.db2.gz YEDRFEOTUKWJGN-FQEVSTJZSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708470 558970843 /nfs/dbraw/zinc/97/08/43/558970843.db2.gz YEDRFEOTUKWJGN-FQEVSTJZSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708786 558971395 /nfs/dbraw/zinc/97/13/95/558971395.db2.gz LDDNYCBIIRYOQY-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708786 558971396 /nfs/dbraw/zinc/97/13/96/558971396.db2.gz LDDNYCBIIRYOQY-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000019708840 558971525 /nfs/dbraw/zinc/97/15/25/558971525.db2.gz QKODWCVMKQDYCR-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO COc1ccccc1CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711326 558973714 /nfs/dbraw/zinc/97/37/14/558973714.db2.gz GAOJSMLPFOXGDU-SFHVURJKSA-N 1 1 409.534 2.811 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)ccc1C(N)=O ZINC000257222714 558990904 /nfs/dbraw/zinc/99/09/04/558990904.db2.gz DUKURWOHCSXGNN-BSRJHKFKSA-N 1 1 420.557 2.936 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)ccc1C(N)=O ZINC000257222714 558990905 /nfs/dbraw/zinc/99/09/05/558990905.db2.gz DUKURWOHCSXGNN-BSRJHKFKSA-N 1 1 420.557 2.936 40 0 HFABMO CC[NH+]1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)CC1 ZINC000015931563 558992992 /nfs/dbraw/zinc/99/29/92/558992992.db2.gz VAZOQDVNRKNPNA-MYMYQCDVSA-N 1 1 422.371 2.500 40 0 HFABMO O=C(CN1CCOCC1)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100387 559024034 /nfs/dbraw/zinc/02/40/34/559024034.db2.gz KRSNAWVJMXZRMB-QFIPXVFZSA-N 1 1 407.505 2.644 40 0 HFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106253 559028575 /nfs/dbraw/zinc/02/85/75/559028575.db2.gz IHWZGTVHMPTNEF-WMQCIHAUSA-N 1 1 412.578 2.594 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)N4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242267 559103965 /nfs/dbraw/zinc/10/39/65/559103965.db2.gz NRPYCRZGFJLRFH-HXUWFJFHSA-N 1 1 424.589 2.887 40 0 HFABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3ccncc3)C2)N1Cc1cccnc1 ZINC000096261932 559106198 /nfs/dbraw/zinc/10/61/98/559106198.db2.gz BSJBCHRYHTYPCD-QFIPXVFZSA-N 1 1 406.511 2.782 40 0 HFABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3ccncc3)C2)N1Cc1cccnc1 ZINC000096261932 559106199 /nfs/dbraw/zinc/10/61/99/559106199.db2.gz BSJBCHRYHTYPCD-QFIPXVFZSA-N 1 1 406.511 2.782 40 0 HFABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)c4cccc(Cl)c4)CC3)[C@@H]2C1 ZINC000096262214 559106388 /nfs/dbraw/zinc/10/63/88/559106388.db2.gz PMTBGGUBSGBUSN-RBUKOAKNSA-N 1 1 403.954 2.991 40 0 HFABMO O=C(Nc1ccccc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262536 559106545 /nfs/dbraw/zinc/10/65/45/559106545.db2.gz KPTSGRDMBUSPHX-XMMPIXPASA-N 1 1 419.529 2.718 40 0 HFABMO O=C(NCC1CCOCC1)c1ccc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096267507 559108200 /nfs/dbraw/zinc/10/82/00/559108200.db2.gz NOFOIVYWNKRBMZ-HXUWFJFHSA-N 1 1 419.529 2.875 40 0 HFABMO CCOCCOc1ccc(CN2C[C@H](O)[C@@H]([N@@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000585269973 559116131 /nfs/dbraw/zinc/11/61/31/559116131.db2.gz RZDBZZYMUMLLOQ-ZEQRLZLVSA-N 1 1 414.546 2.788 40 0 HFABMO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)Cc3ccc(OC)cc3)C2)cc1 ZINC000585269973 559116133 /nfs/dbraw/zinc/11/61/33/559116133.db2.gz RZDBZZYMUMLLOQ-ZEQRLZLVSA-N 1 1 414.546 2.788 40 0 HFABMO CCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N(C)Cc3ccc(OC)cc3)C2)cc1 ZINC000585269973 559116135 /nfs/dbraw/zinc/11/61/35/559116135.db2.gz RZDBZZYMUMLLOQ-ZEQRLZLVSA-N 1 1 414.546 2.788 40 0 HFABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2cccc(Cl)c2)CC1 ZINC000585274795 559118809 /nfs/dbraw/zinc/11/88/09/559118809.db2.gz ZQGNLXUHOQJLHP-UHFFFAOYSA-N 1 1 418.921 2.871 40 0 HFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282697 559120190 /nfs/dbraw/zinc/12/01/90/559120190.db2.gz NACRVPLXGFPNKQ-DEOSSOPVSA-N 1 1 418.578 2.927 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cccc4cccnc43)CC2)[C@@]2(CCNC2=O)C1 ZINC000101847329 559148092 /nfs/dbraw/zinc/14/80/92/559148092.db2.gz GMFHBLJLPSNQRW-VWLOTQADSA-N 1 1 420.557 2.935 40 0 HFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283768 /nfs/dbraw/zinc/28/37/68/559283768.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 1 1 420.504 2.667 40 0 HFABMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257228920 559283770 /nfs/dbraw/zinc/28/37/70/559283770.db2.gz FVWUFGXQOUJXQR-NRFANRHFSA-N 1 1 420.504 2.667 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403346 560546874 /nfs/dbraw/zinc/54/68/74/560546874.db2.gz IJDBNMKEDOCCEK-SIKLNZKXSA-N 1 1 407.514 2.525 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000006953422 560747042 /nfs/dbraw/zinc/74/70/42/560747042.db2.gz XICUHSKUMGMQFL-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499599 560873448 /nfs/dbraw/zinc/87/34/48/560873448.db2.gz SNNXPXQVGSXKTE-FQEVSTJZSA-N 1 1 423.565 2.613 40 0 HFABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568074 560874311 /nfs/dbraw/zinc/87/43/11/560874311.db2.gz BMMPWZUMTUUCDD-NRFANRHFSA-N 1 1 421.549 2.583 40 0 HFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496381 /nfs/dbraw/zinc/49/63/81/568496381.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 1 1 417.506 2.749 40 0 HFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496382 /nfs/dbraw/zinc/49/63/82/568496382.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 1 1 417.506 2.749 40 0 HFABMO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000022840300 568500093 /nfs/dbraw/zinc/50/00/93/568500093.db2.gz WVZJQNZRHVCHDI-NOZTZVSSSA-N 1 1 407.514 2.728 40 0 HFABMO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000022840300 568500094 /nfs/dbraw/zinc/50/00/94/568500094.db2.gz WVZJQNZRHVCHDI-NOZTZVSSSA-N 1 1 407.514 2.728 40 0 HFABMO COC(=O)CSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000225475792 568641398 /nfs/dbraw/zinc/64/13/98/568641398.db2.gz ZCIZCFOVUMVISA-ZDUSSCGKSA-N 1 1 424.523 2.793 40 0 HFABMO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225576084 568653325 /nfs/dbraw/zinc/65/33/25/568653325.db2.gz LZSAUBRSRGZPAR-UHFFFAOYSA-N 1 1 411.905 2.992 40 0 HFABMO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@H+](C4CCN(C)CC4)C3)ccc2c1N ZINC000257201310 568776378 /nfs/dbraw/zinc/77/63/78/568776378.db2.gz AHCYPNGFGLHTBM-NRFANRHFSA-N 1 1 401.580 2.686 40 0 HFABMO CNC(=O)c1sc2nc([C@@]3(C)CCCN(C4CC[NH+](C)CC4)C3)ccc2c1N ZINC000257201310 568776381 /nfs/dbraw/zinc/77/63/81/568776381.db2.gz AHCYPNGFGLHTBM-NRFANRHFSA-N 1 1 401.580 2.686 40 0 HFABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CNC(C)=O)C[C@@H]32)c1 ZINC000257208393 568778512 /nfs/dbraw/zinc/77/85/12/568778512.db2.gz BLZVJPNIWFUCGC-WXFUMESZSA-N 1 1 421.541 2.648 40 0 HFABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274294 568796956 /nfs/dbraw/zinc/79/69/56/568796956.db2.gz NKKBGGRXSCTSPA-KRWDZBQOSA-N 1 1 423.565 2.968 40 0 HFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257287979 568800859 /nfs/dbraw/zinc/80/08/59/568800859.db2.gz PSGYLFVGAVAGTH-OAQYLSRUSA-N 1 1 418.925 2.662 40 0 HFABMO c1cc2ccncc2c(C[C@@H]2COCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318179 568809762 /nfs/dbraw/zinc/80/97/62/568809762.db2.gz VMUIODDEDWTGJT-IBGZPJMESA-N 1 1 419.529 2.553 40 0 HFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306123030 568886078 /nfs/dbraw/zinc/88/60/78/568886078.db2.gz ACVHDKCSEFGEAC-LJQANCHMSA-N 1 1 407.561 2.888 40 0 HFABMO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306123030 568886079 /nfs/dbraw/zinc/88/60/79/568886079.db2.gz ACVHDKCSEFGEAC-LJQANCHMSA-N 1 1 407.561 2.888 40 0 HFABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306123227 568886320 /nfs/dbraw/zinc/88/63/20/568886320.db2.gz AHUQFWLTVNYRDP-RUZDIDTESA-N 1 1 416.525 2.519 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306124556 568887536 /nfs/dbraw/zinc/88/75/36/568887536.db2.gz BTNPYZIXCRCFPJ-XUZZJYLKSA-N 1 1 416.529 2.619 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 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JMDCQNYEZKOGNP-HNNXBMFYSA-N 1 1 405.510 2.868 40 0 HFABMO CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102007 559025235 /nfs/dbraw/zinc/02/52/35/559025235.db2.gz WGUJGYIJBOGNAS-NRFANRHFSA-N 1 1 418.578 2.839 40 0 HFABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104464 559026997 /nfs/dbraw/zinc/02/69/97/559026997.db2.gz OXKVZPOPKVHKKE-HMXCVIKNSA-N 1 1 402.535 2.639 40 0 HFABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104587 559027228 /nfs/dbraw/zinc/02/72/28/559027228.db2.gz QTXCENXIZPDXQH-YPAWHYETSA-N 1 1 415.578 2.647 40 0 HFABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105101 559027529 /nfs/dbraw/zinc/02/75/29/559027529.db2.gz XZORPAJWEVTDTP-QUCCMNQESA-N 1 1 418.509 2.783 40 0 HFABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105101 559027530 /nfs/dbraw/zinc/02/75/30/559027530.db2.gz XZORPAJWEVTDTP-QUCCMNQESA-N 1 1 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C[N@H+]1CCCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)CC1 ZINC000096147691 559098685 /nfs/dbraw/zinc/09/86/85/559098685.db2.gz DAWBGKULZAUQRB-UHFFFAOYSA-N 1 1 408.550 2.733 40 0 HFABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 ZINC000096230384 559103034 /nfs/dbraw/zinc/10/30/34/559103034.db2.gz BIAAZUBBDWSSKN-UHFFFAOYSA-N 1 1 408.502 2.717 40 0 HFABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 ZINC000096230384 559103035 /nfs/dbraw/zinc/10/30/35/559103035.db2.gz BIAAZUBBDWSSKN-UHFFFAOYSA-N 1 1 408.502 2.717 40 0 HFABMO CCN1[C@H]2CC[N@H+](Cc3c(C)noc3C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263893 559107316 /nfs/dbraw/zinc/10/73/16/559107316.db2.gz HAPVFNUXWSPMBF-ROUUACIJSA-N 1 1 405.520 2.728 40 0 HFABMO CCN1[C@H]2CC[N@@H+](Cc3c(C)noc3C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263893 559107317 /nfs/dbraw/zinc/10/73/17/559107317.db2.gz HAPVFNUXWSPMBF-ROUUACIJSA-N 1 1 405.520 2.728 40 0 HFABMO Cc1ccc(C)c(Cn2c(C[N@H+]3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000096306532 559109227 /nfs/dbraw/zinc/10/92/27/559109227.db2.gz JKJDRIBRTFFBGL-CALCHBBNSA-N 1 1 423.561 2.577 40 0 HFABMO Cc1ccc(C)c(Cn2c(C[N@@H+]3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000096306532 559109230 /nfs/dbraw/zinc/10/92/30/559109230.db2.gz JKJDRIBRTFFBGL-CALCHBBNSA-N 1 1 423.561 2.577 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@H]4[C@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585282520 559119973 /nfs/dbraw/zinc/11/99/73/559119973.db2.gz FNVBLVHXGYZUCO-DHIUTWEWSA-N 1 1 415.578 2.892 40 0 HFABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284574 559121189 /nfs/dbraw/zinc/12/11/89/559121189.db2.gz YJJSXVJQCCKBTE-XMMPIXPASA-N 1 1 418.578 2.663 40 0 HFABMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231342 559283929 /nfs/dbraw/zinc/28/39/29/559283929.db2.gz GGGRQRPVOJLKPE-HSZRJFAPSA-N 1 1 416.493 2.747 40 0 HFABMO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](C3CCCCC3)CCN21 ZINC000514290049 560030899 /nfs/dbraw/zinc/03/08/99/560030899.db2.gz RZVDECDYZFTYEU-UNMCSNQZSA-N 1 1 405.970 2.866 40 0 biogenic,in-vitro HFABMO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000260565631 560795706 /nfs/dbraw/zinc/79/57/06/560795706.db2.gz QVIYTTSLEBBMJJ-KRWDZBQOSA-N 1 1 407.580 2.777 40 0 HFABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033772636 568520744 /nfs/dbraw/zinc/52/07/44/568520744.db2.gz ZPXAYNDLMJTIIK-GKAYAJSDSA-N 1 1 405.429 2.565 40 0 HFABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033772636 568520745 /nfs/dbraw/zinc/52/07/45/568520745.db2.gz ZPXAYNDLMJTIIK-GKAYAJSDSA-N 1 1 405.429 2.565 40 0 HFABMO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000225902044 568684719 /nfs/dbraw/zinc/68/47/19/568684719.db2.gz PPDMUIONHXMNCI-SFHVURJKSA-N 1 1 401.532 2.754 40 0 HFABMO CN1CCN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093861 568747501 /nfs/dbraw/zinc/74/75/01/568747501.db2.gz CRMCGUZDAVJEPA-JOCHJYFZSA-N 1 1 413.953 2.556 40 0 HFABMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257244223 568788725 /nfs/dbraw/zinc/78/87/25/568788725.db2.gz IKKVLISNIMBERB-HNNXBMFYSA-N 1 1 410.387 2.517 40 0 HFABMO CC(C)CC(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257248721 568789879 /nfs/dbraw/zinc/78/98/79/568789879.db2.gz JEXCHNBEULZRSS-XMMPIXPASA-N 1 1 415.578 2.884 40 0 HFABMO C[N@@H+](CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(N)=O)C1)C1CCCC1 ZINC000257253967 568791374 /nfs/dbraw/zinc/79/13/74/568791374.db2.gz KBASFSVDXVJTSK-KXBFYZLASA-N 1 1 407.942 2.686 40 0 HFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cn(C)c3ccccc13)C2 ZINC000257280572 568798804 /nfs/dbraw/zinc/79/88/04/568798804.db2.gz OLKDLQUINRLTEZ-QGZVFWFLSA-N 1 1 418.545 2.904 40 0 HFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cn(C)c3ccccc13)C2 ZINC000257280572 568798806 /nfs/dbraw/zinc/79/88/06/568798806.db2.gz OLKDLQUINRLTEZ-QGZVFWFLSA-N 1 1 418.545 2.904 40 0 HFABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309713 568807346 /nfs/dbraw/zinc/80/73/46/568807346.db2.gz UCCFHGNNZNPOBI-FQEVSTJZSA-N 1 1 415.501 2.639 40 0 HFABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309713 568807349 /nfs/dbraw/zinc/80/73/49/568807349.db2.gz UCCFHGNNZNPOBI-FQEVSTJZSA-N 1 1 415.501 2.639 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335163 568814687 /nfs/dbraw/zinc/81/46/87/568814687.db2.gz YIXYPEBIDRAMGL-HSZRJFAPSA-N 1 1 407.518 2.837 40 0 HFABMO CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306125071 568888027 /nfs/dbraw/zinc/88/80/27/568888027.db2.gz CGEHQONXOYPJSU-JTHBVZDNSA-N 1 1 411.477 2.656 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2cccnc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306134203 568896103 /nfs/dbraw/zinc/89/61/03/568896103.db2.gz NFQKEORKQBQPOY-XUZZJYLKSA-N 1 1 416.529 2.619 40 0 HFABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000306135257 568897293 /nfs/dbraw/zinc/89/72/93/568897293.db2.gz OLYVURFGGLJBQC-AVRDEDQJSA-N 1 1 407.514 2.525 40 0 HFABMO Cc1ccsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306136595 568898386 /nfs/dbraw/zinc/89/83/86/568898386.db2.gz PXTKDMPSOKCXEW-QZTJIDSGSA-N 1 1 407.543 2.882 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)n1 ZINC000306136810 568898698 /nfs/dbraw/zinc/89/86/98/568898698.db2.gz QDYQFGBNTAUZCX-JKSUJKDBSA-N 1 1 406.465 2.677 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137693 568899606 /nfs/dbraw/zinc/89/96/06/568899606.db2.gz RDEALECEEPJTER-DLBZAZTESA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000247960371 569315895 /nfs/dbraw/zinc/31/58/95/569315895.db2.gz DIFOXHHUTGAHPN-RXVVDRJESA-N 1 1 423.513 2.572 40 0 HFABMO COc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000247960371 569315897 /nfs/dbraw/zinc/31/58/97/569315897.db2.gz DIFOXHHUTGAHPN-RXVVDRJESA-N 1 1 423.513 2.572 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235387 569344787 /nfs/dbraw/zinc/34/47/87/569344787.db2.gz GKCXMOHFFZFBDD-WZONZLPQSA-N 1 1 412.534 2.759 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583792 569345773 /nfs/dbraw/zinc/34/57/73/569345773.db2.gz RFUNNJPYRIUQHL-FDDCHVKYSA-N 1 1 412.534 2.759 40 0 HFABMO CCc1nc(-c2cncnc2[C@@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)no1 ZINC000019693866 569346557 /nfs/dbraw/zinc/34/65/57/569346557.db2.gz VREBCKAWKBHWRE-CQSZACIVSA-N 1 1 408.462 2.526 40 0 HFABMO CCc1nc(-c2cncnc2[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)no1 ZINC000019693866 569346558 /nfs/dbraw/zinc/34/65/58/569346558.db2.gz VREBCKAWKBHWRE-CQSZACIVSA-N 1 1 408.462 2.526 40 0 HFABMO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000019696222 569346735 /nfs/dbraw/zinc/34/67/35/569346735.db2.gz SOHNPMYIPTZISB-KRWDZBQOSA-N 1 1 403.548 2.972 40 0 HFABMO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000019696222 569346736 /nfs/dbraw/zinc/34/67/36/569346736.db2.gz SOHNPMYIPTZISB-KRWDZBQOSA-N 1 1 403.548 2.972 40 0 HFABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707699 569347964 /nfs/dbraw/zinc/34/79/64/569347964.db2.gz UAJLJMPKTXNQHF-GOSISDBHSA-N 1 1 422.533 2.663 40 0 HFABMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O ZINC000009332551 569392505 /nfs/dbraw/zinc/39/25/05/569392505.db2.gz DANMZDFCDJOVND-XMODTWTHSA-N 1 1 401.466 2.735 40 0 HFABMO CN1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)cs2)CC1 ZINC000225471701 291220702 /nfs/dbraw/zinc/22/07/02/291220702.db2.gz RAMSMVJKFSBFJM-UHFFFAOYSA-N 1 1 404.555 2.513 40 0 biogenic,in-vitro HFABMO CCN(CC)S(=O)(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758729 558275338 /nfs/dbraw/zinc/27/53/38/558275338.db2.gz KHLWGTCTFQBNSR-UHFFFAOYSA-N 1 1 409.600 2.981 40 0 HFABMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000019931379 558310324 /nfs/dbraw/zinc/31/03/24/558310324.db2.gz VZWZRFNDKCLOAM-CALCHBBNSA-N 1 1 407.580 2.768 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235401 558358507 /nfs/dbraw/zinc/35/85/07/558358507.db2.gz GKCXMOHFFZFBDD-MBSDFSHPSA-N 1 1 412.534 2.759 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235375 558358554 /nfs/dbraw/zinc/35/85/54/558358554.db2.gz FHTPZEHCBQTDKZ-XXBNENTESA-N 1 1 410.518 2.815 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020452281 558366614 /nfs/dbraw/zinc/36/66/14/558366614.db2.gz WYCFFOKRFMIHNS-INIZCTEOSA-N 1 1 412.515 2.652 40 0 HFABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2Cl)cc1 ZINC000020487910 558376903 /nfs/dbraw/zinc/37/69/03/558376903.db2.gz BCJYZNMLZLDRHW-UHFFFAOYSA-N 1 1 407.923 2.837 40 0 HFABMO COc1ccc2c(C[N@@H+]3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)cn(C)c2c1 ZINC000012666576 558445135 /nfs/dbraw/zinc/44/51/35/558445135.db2.gz JXMFOWKEYJPUDX-UHFFFAOYSA-N 1 1 401.470 2.891 40 0 HFABMO COc1ccc2c(C[N@H+]3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)cn(C)c2c1 ZINC000012666576 558445137 /nfs/dbraw/zinc/44/51/37/558445137.db2.gz JXMFOWKEYJPUDX-UHFFFAOYSA-N 1 1 401.470 2.891 40 0 HFABMO COc1ccccc1N1CC[NH+](C[C@@H]2CN3C(=N2)c2ccccc2N(C)C3=O)CC1 ZINC000022442521 558489692 /nfs/dbraw/zinc/48/96/92/558489692.db2.gz OULFYKAESNCMFJ-QGZVFWFLSA-N 1 1 405.502 2.518 40 0 in-vitro HFABMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c2ccccc21 ZINC000036741513 558802342 /nfs/dbraw/zinc/80/23/42/558802342.db2.gz SSPBOEGFCQYBQB-FQEVSTJZSA-N 1 1 412.578 2.710 40 0 HFABMO CC(C)C(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2ccncc2)C1 ZINC000019085442 558841124 /nfs/dbraw/zinc/84/11/24/558841124.db2.gz MVNVRXVMJIFCKU-LJQANCHMSA-N 1 1 408.550 2.652 40 0 HFABMO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCOCC2)CC3)cc1 ZINC000019135327 558846158 /nfs/dbraw/zinc/84/61/58/558846158.db2.gz BPMSTOCXUYKCOU-NRFANRHFSA-N 1 1 422.529 2.593 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000019495985 558894885 /nfs/dbraw/zinc/89/48/85/558894885.db2.gz QJWVDGXNVSUGKR-MPIRFRCKSA-N 1 1 414.550 2.962 40 0 HFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496578 558895495 /nfs/dbraw/zinc/89/54/95/558895495.db2.gz VFZIJFMYBXJZOQ-KRWDZBQOSA-N 1 1 404.518 2.750 40 0 HFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496578 558895497 /nfs/dbraw/zinc/89/54/97/558895497.db2.gz VFZIJFMYBXJZOQ-KRWDZBQOSA-N 1 1 404.518 2.750 40 0 HFABMO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019501123 558898971 /nfs/dbraw/zinc/89/89/71/558898971.db2.gz COURLMFQLYVQTR-KRWDZBQOSA-N 1 1 410.518 2.865 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549801 558914573 /nfs/dbraw/zinc/91/45/73/558914573.db2.gz VTGZGNKDAVNNGY-MRXNPFEDSA-N 1 1 424.505 2.673 40 0 HFABMO COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)cc1OC ZINC000019560222 558921383 /nfs/dbraw/zinc/92/13/83/558921383.db2.gz UCMTUTHHKGSMSL-RBUKOAKNSA-N 1 1 415.534 2.500 40 0 HFABMO COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1OC ZINC000019560222 558921385 /nfs/dbraw/zinc/92/13/85/558921385.db2.gz UCMTUTHHKGSMSL-RBUKOAKNSA-N 1 1 415.534 2.500 40 0 HFABMO COc1cccc(-c2nccc3ccn(CC(=O)NCCC[NH+]4CCOCC4)c32)c1 ZINC000019566553 558926107 /nfs/dbraw/zinc/92/61/07/558926107.db2.gz IGUYAKWUFDSPET-UHFFFAOYSA-N 1 1 408.502 2.550 40 0 HFABMO CC(C)NC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc(F)cc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334461 558935639 /nfs/dbraw/zinc/93/56/39/558935639.db2.gz ASYNREOZJHEJKQ-QOKIKDITSA-N 1 1 423.532 2.938 40 0 HFABMO Cc1oc2c(c1C(=O)N1CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C1)CCCC2 ZINC000019581219 558936861 /nfs/dbraw/zinc/93/68/61/558936861.db2.gz SHLLAJPWKTVSSW-HNNXBMFYSA-N 1 1 410.518 2.970 40 0 HFABMO CCCC(=O)N1CCC[C@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000072338450 558938279 /nfs/dbraw/zinc/93/82/79/558938279.db2.gz USGUCNKZFHIZJX-IBGZPJMESA-N 1 1 408.550 2.797 40 0 HFABMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586205 558939478 /nfs/dbraw/zinc/93/94/78/558939478.db2.gz IIKWZQOORGFMIG-NRFANRHFSA-N 1 1 422.573 2.850 40 0 HFABMO C[NH+]1CCN(c2nccc(CN(CCc3ccccc3)Cc3ccccn3)n2)CC1 ZINC000019590138 558940631 /nfs/dbraw/zinc/94/06/31/558940631.db2.gz RPPNZQLNOAQWDB-UHFFFAOYSA-N 1 1 402.546 2.868 40 0 HFABMO COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019592836 558943884 /nfs/dbraw/zinc/94/38/84/558943884.db2.gz DZVFWHGFBYVIFC-LJQANCHMSA-N 1 1 402.539 2.821 40 0 HFABMO COc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)n2)cc1C ZINC000019663665 558954338 /nfs/dbraw/zinc/95/43/38/558954338.db2.gz HVKVKNKDGUTMPS-CQSZACIVSA-N 1 1 402.520 2.571 40 0 HFABMO COc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)cc1C ZINC000019663665 558954339 /nfs/dbraw/zinc/95/43/39/558954339.db2.gz HVKVKNKDGUTMPS-CQSZACIVSA-N 1 1 402.520 2.571 40 0 HFABMO COCCN1CCCC[C@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000072372041 558959491 /nfs/dbraw/zinc/95/94/91/558959491.db2.gz RCQJXYNLDWDVDX-HXUWFJFHSA-N 1 1 405.514 2.751 40 0 HFABMO COc1cc(C)ccc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CNC(C)=O)cc2)C1 ZINC000019698743 558966393 /nfs/dbraw/zinc/96/63/93/558966393.db2.gz VXZVKHDTGAMFKR-PKTZIBPZSA-N 1 1 423.557 2.944 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708827 558971518 /nfs/dbraw/zinc/97/15/18/558971518.db2.gz NASKOXRUYHDTQO-INIZCTEOSA-N 1 1 409.534 2.843 40 0 HFABMO Cc1cncc(C[N@H+]2C[C@@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101841 559024891 /nfs/dbraw/zinc/02/48/91/559024891.db2.gz GJNYVLHDCIKROO-SFHVURJKSA-N 1 1 408.493 2.661 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105098 559027515 /nfs/dbraw/zinc/02/75/15/559027515.db2.gz XYJPUWQDRKLHSJ-QFIPXVFZSA-N 1 1 409.530 2.859 40 0 HFABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056140 559093902 /nfs/dbraw/zinc/09/39/02/559093902.db2.gz DOUWQYWWDFIFML-AVRDEDQJSA-N 1 1 411.575 2.783 40 0 HFABMO O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239954 559103480 /nfs/dbraw/zinc/10/34/80/559103480.db2.gz RLEBQZBYNRJNHH-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239954 559103483 /nfs/dbraw/zinc/10/34/83/559103483.db2.gz RLEBQZBYNRJNHH-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO O=C(NCC1CCOCC1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096267506 559108175 /nfs/dbraw/zinc/10/81/75/559108175.db2.gz NOFOIVYWNKRBMZ-FQEVSTJZSA-N 1 1 419.529 2.875 40 0 HFABMO O=C(C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H]2COCC[C@H]21)NCCc1nc2ccccc2[nH]1 ZINC000585261490 559109026 /nfs/dbraw/zinc/10/90/26/559109026.db2.gz VDHPUZRNEZRCDA-WOIUINJBSA-N 1 1 422.504 2.865 40 0 HFABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585287105 559122178 /nfs/dbraw/zinc/12/21/78/559122178.db2.gz SVEJKBUMHNLCJI-KNQAVFIVSA-N 1 1 403.542 2.880 40 0 HFABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2ccccc2F)CC1 ZINC000257325513 559283130 /nfs/dbraw/zinc/28/31/30/559283130.db2.gz WTFSNOOUBHHYNC-HSZRJFAPSA-N 1 1 416.493 2.747 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000021122909 568461664 /nfs/dbraw/zinc/46/16/64/568461664.db2.gz SRNQGRKLVVYFQP-MJGOQNOKSA-N 1 1 402.491 2.512 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000021122909 568461665 /nfs/dbraw/zinc/46/16/65/568461665.db2.gz SRNQGRKLVVYFQP-MJGOQNOKSA-N 1 1 402.491 2.512 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000033704886 568517956 /nfs/dbraw/zinc/51/79/56/568517956.db2.gz NHCQRBNPGXRMQS-GKAYAJSDSA-N 1 1 421.884 2.767 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000033704886 568517957 /nfs/dbraw/zinc/51/79/57/568517957.db2.gz NHCQRBNPGXRMQS-GKAYAJSDSA-N 1 1 421.884 2.767 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000033719453 568518378 /nfs/dbraw/zinc/51/83/78/568518378.db2.gz HFSYTLKIKCDFFP-MTXNFPGFSA-N 1 1 419.456 2.874 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000033719453 568518380 /nfs/dbraw/zinc/51/83/80/568518380.db2.gz HFSYTLKIKCDFFP-MTXNFPGFSA-N 1 1 419.456 2.874 40 0 HFABMO CCN(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457124 568581779 /nfs/dbraw/zinc/58/17/79/568581779.db2.gz CUGQFBYLCKMKBJ-UHFFFAOYSA-N 1 1 415.559 2.593 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471712 568640997 /nfs/dbraw/zinc/64/09/97/568640997.db2.gz HZTSLZLXSVILLG-HXUWFJFHSA-N 1 1 421.607 2.858 40 0 HFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)C1 ZINC000260743704 568737100 /nfs/dbraw/zinc/73/71/00/568737100.db2.gz PUVBZIGICVOUKE-KRWDZBQOSA-N 1 1 413.559 2.610 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905870 568743830 /nfs/dbraw/zinc/74/38/30/568743830.db2.gz TUFXTSVONLHYHA-VQTJNVASSA-N 1 1 421.607 2.858 40 0 HFABMO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccccc4Cl)C2)COC3)CC1 ZINC000248093865 568747496 /nfs/dbraw/zinc/74/74/96/568747496.db2.gz CRMCGUZDAVJEPA-QFIPXVFZSA-N 1 1 413.953 2.556 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000257227982 568784244 /nfs/dbraw/zinc/78/42/44/568784244.db2.gz FRWBVGSPCZIXPV-JOCHJYFZSA-N 1 1 411.481 2.586 40 0 HFABMO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000257227982 568784247 /nfs/dbraw/zinc/78/42/47/568784247.db2.gz FRWBVGSPCZIXPV-JOCHJYFZSA-N 1 1 411.481 2.586 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000257227982 568784248 /nfs/dbraw/zinc/78/42/48/568784248.db2.gz FRWBVGSPCZIXPV-JOCHJYFZSA-N 1 1 411.481 2.586 40 0 HFABMO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255277 568791696 /nfs/dbraw/zinc/79/16/96/568791696.db2.gz KGWCMEGBUYDLFV-OAQYLSRUSA-N 1 1 409.469 2.530 40 0 HFABMO CC(C)CC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257266742 568794595 /nfs/dbraw/zinc/79/45/95/568794595.db2.gz MEHPSGHLFQXWFR-UHFFFAOYSA-N 1 1 415.578 2.884 40 0 HFABMO Cc1ccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)nc1 ZINC000257295048 568803021 /nfs/dbraw/zinc/80/30/21/568803021.db2.gz QWSIEZDOFDUMNK-MBOZVWFJSA-N 1 1 420.513 2.974 40 0 HFABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000306125843 568888583 /nfs/dbraw/zinc/88/85/83/568888583.db2.gz DDQASADPCXHWGX-GBXCKJPGSA-N 1 1 423.536 2.861 40 0 HFABMO COc1ccccc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306128551 568891386 /nfs/dbraw/zinc/89/13/86/568891386.db2.gz HDUAANRXOSDPSF-QZTJIDSGSA-N 1 1 403.486 2.843 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306135899 568897654 /nfs/dbraw/zinc/89/76/54/568897654.db2.gz PEBRGZHAEDBTTO-GGAORHGYSA-N 1 1 420.538 2.935 40 0 HFABMO c1nc2c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nccn2c1-c1ccncc1 ZINC000306135831 568897814 /nfs/dbraw/zinc/89/78/14/568897814.db2.gz PCGCRVDENBBQPM-UHFFFAOYSA-N 1 1 414.469 2.842 40 0 HFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)COCc1cnc(N3CCC(F)(F)CC3)nc12 ZINC000306137477 568899413 /nfs/dbraw/zinc/89/94/13/568899413.db2.gz QXLSWWIOUDPNSY-FQEVSTJZSA-N 1 1 419.476 2.991 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4nc(=O)c(C(=O)NC5CCCCC5)cn4C[C@@H]3C2)s1 ZINC000306139697 568901715 /nfs/dbraw/zinc/90/17/15/568901715.db2.gz TXWHKQJVHSEQFR-YJBOKZPZSA-N 1 1 412.559 2.905 40 0 HFABMO CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306143942 568905164 /nfs/dbraw/zinc/90/51/64/568905164.db2.gz YRISHPHMVOMOGJ-QFIPXVFZSA-N 1 1 400.498 2.999 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144528 568905888 /nfs/dbraw/zinc/90/58/88/568905888.db2.gz ZHWCALRBPJPEOD-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242688603 568969334 /nfs/dbraw/zinc/96/93/34/568969334.db2.gz VUQCLWYTWIYGGI-QRVBRYPASA-N 1 1 409.891 2.742 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000249892455 569316901 /nfs/dbraw/zinc/31/69/01/569316901.db2.gz SRNQGRKLVVYFQP-PKOBYXMFSA-N 1 1 402.491 2.512 40 0 HFABMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000249892455 569316902 /nfs/dbraw/zinc/31/69/02/569316902.db2.gz SRNQGRKLVVYFQP-PKOBYXMFSA-N 1 1 402.491 2.512 40 0 HFABMO O=C(CN1CCC[N@H+](Cc2cccc(F)c2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019293854 569345411 /nfs/dbraw/zinc/34/54/11/569345411.db2.gz IAJCKCYBIUDIQZ-GOSISDBHSA-N 1 1 417.554 2.591 40 0 HFABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000034668508 569351534 /nfs/dbraw/zinc/35/15/34/569351534.db2.gz HQSHEDPQECTBBZ-OAQYLSRUSA-N 1 1 409.530 2.926 40 0 HFABMO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245237784 571219246 /nfs/dbraw/zinc/21/92/46/571219246.db2.gz WVZJQNZRHVCHDI-AUPOLJPDSA-N 1 1 407.514 2.728 40 0 HFABMO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245237784 571219248 /nfs/dbraw/zinc/21/92/48/571219248.db2.gz WVZJQNZRHVCHDI-AUPOLJPDSA-N 1 1 407.514 2.728 40 0 HFABMO C[N@H+](Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 ZINC000067870694 291220290 /nfs/dbraw/zinc/22/02/90/291220290.db2.gz XNLVRPHXNSZDSD-SLFFLAALSA-N 1 1 419.616 2.869 40 0 biogenic,in-vitro HFABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)c3ccccc3)CC2)cs1 ZINC000225466670 291222327 /nfs/dbraw/zinc/22/23/27/291222327.db2.gz DMEICSOSMUNWKQ-GOSISDBHSA-N 1 1 415.559 2.878 40 0 biogenic,in-vitro HFABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)c3ccccc3)CC2)cs1 ZINC000225466670 291222330 /nfs/dbraw/zinc/22/23/30/291222330.db2.gz DMEICSOSMUNWKQ-GOSISDBHSA-N 1 1 415.559 2.878 40 0 biogenic,in-vitro HFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)COc4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253402180 291225151 /nfs/dbraw/zinc/22/51/51/291225151.db2.gz NZZARFJDMROALP-OAQYLSRUSA-N 1 1 423.557 2.881 40 0 biogenic,in-vitro HFABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 ZINC000253406910 291226477 /nfs/dbraw/zinc/22/64/77/291226477.db2.gz VGCPTFBPKGXMAB-GGAORHGYSA-N 1 1 413.949 2.733 40 0 biogenic,in-vitro HFABMO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C)ccc32)CC1 ZINC000004399932 557551995 /nfs/dbraw/zinc/55/19/95/557551995.db2.gz LPRGBYVOEDNSRL-UHFFFAOYSA-N 1 1 407.474 2.802 40 0 HFABMO Cc1nc([C@@H]2CCC[N@@H+](CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741638 558262230 /nfs/dbraw/zinc/26/22/30/558262230.db2.gz CDZXKRZKFMYYDG-HXUWFJFHSA-N 1 1 408.546 2.869 40 0 HFABMO CCc1nn(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114306 558327255 /nfs/dbraw/zinc/32/72/55/558327255.db2.gz ULBHZPHCOSPAPL-OAHLLOKOSA-N 1 1 415.563 2.511 40 0 HFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000030324655 558728857 /nfs/dbraw/zinc/72/88/57/558728857.db2.gz VAOHGGWQXBJPME-UHFFFAOYSA-N 1 1 410.923 2.659 40 0 HFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccn[nH]2)cc1OC ZINC000036743730 558802459 /nfs/dbraw/zinc/80/24/59/558802459.db2.gz IALMOKWDCFFHBZ-QUCCMNQESA-N 1 1 406.486 2.825 40 0 HFABMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019213186 558849031 /nfs/dbraw/zinc/84/90/31/558849031.db2.gz FPSFVQZPSFADTE-SFHVURJKSA-N 1 1 420.517 2.779 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286131 558860348 /nfs/dbraw/zinc/86/03/48/558860348.db2.gz YXRIVJYCBJAAJJ-UHFFFAOYSA-N 1 1 408.546 2.949 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286131 558860350 /nfs/dbraw/zinc/86/03/50/558860350.db2.gz YXRIVJYCBJAAJJ-UHFFFAOYSA-N 1 1 408.546 2.949 40 0 HFABMO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCCC1 ZINC000019336339 558870145 /nfs/dbraw/zinc/87/01/45/558870145.db2.gz IQEHLUPPBKASRP-YPAWHYETSA-N 1 1 413.537 2.865 40 0 HFABMO O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405339 558884659 /nfs/dbraw/zinc/88/46/59/558884659.db2.gz UTTYDHNLJIPXSW-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405339 558884661 /nfs/dbraw/zinc/88/46/61/558884661.db2.gz UTTYDHNLJIPXSW-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019496366 558895253 /nfs/dbraw/zinc/89/52/53/558895253.db2.gz HRWNLWZLTCLSLP-REWPJTCUSA-N 1 1 409.578 2.918 40 0 HFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496577 558895360 /nfs/dbraw/zinc/89/53/60/558895360.db2.gz VFZIJFMYBXJZOQ-QGZVFWFLSA-N 1 1 404.518 2.750 40 0 HFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496577 558895364 /nfs/dbraw/zinc/89/53/64/558895364.db2.gz VFZIJFMYBXJZOQ-QGZVFWFLSA-N 1 1 404.518 2.750 40 0 HFABMO CC[C@H](C)C(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(c4nccs4)CC3)ccc21 ZINC000019499901 558898145 /nfs/dbraw/zinc/89/81/45/558898145.db2.gz CHHNQVSTAWXJKN-OXJNMPFZSA-N 1 1 414.575 2.934 40 0 HFABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523560 558904724 /nfs/dbraw/zinc/90/47/24/558904724.db2.gz AABREMRLSFBYBA-UGKGYDQZSA-N 1 1 420.561 2.749 40 0 HFABMO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019524163 558905466 /nfs/dbraw/zinc/90/54/66/558905466.db2.gz WXLNIKXCUBBGQC-IBGZPJMESA-N 1 1 424.549 2.654 40 0 HFABMO CC[NH+]1CCN(C2CCN(C(=O)c3c(C)n(CCOC)c4ccccc43)CC2)CC1 ZINC000019528133 558909236 /nfs/dbraw/zinc/90/92/36/558909236.db2.gz ARVHOHUEIRSOJV-UHFFFAOYSA-N 1 1 412.578 2.838 40 0 HFABMO CCOCc1cc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531184 558911611 /nfs/dbraw/zinc/91/16/11/558911611.db2.gz NCAISEVZYVOQSQ-UHFFFAOYSA-N 1 1 412.534 2.516 40 0 HFABMO COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)cc1OC ZINC000019560219 558921337 /nfs/dbraw/zinc/92/13/37/558921337.db2.gz UCMTUTHHKGSMSL-MOPGFXCFSA-N 1 1 415.534 2.500 40 0 HFABMO COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1OC ZINC000019560219 558921340 /nfs/dbraw/zinc/92/13/40/558921340.db2.gz UCMTUTHHKGSMSL-MOPGFXCFSA-N 1 1 415.534 2.500 40 0 HFABMO COc1cc(Cl)c(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019594937 558945903 /nfs/dbraw/zinc/94/59/03/558945903.db2.gz HGZCUTZKBOTEPD-UHFFFAOYSA-N 1 1 418.925 2.642 40 0 HFABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)nc2)n1 ZINC000072353280 558950241 /nfs/dbraw/zinc/95/02/41/558950241.db2.gz RYQAGXFYDAYBOA-LJQANCHMSA-N 1 1 424.549 2.660 40 0 HFABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3cnc(C)s3)cc2)C1 ZINC000072370199 558956347 /nfs/dbraw/zinc/95/63/47/558956347.db2.gz WIQQRHFNXSVRMO-RTWAWAEBSA-N 1 1 414.575 2.734 40 0 HFABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)C4CCOCC4)nc32)c1 ZINC000072371038 558957387 /nfs/dbraw/zinc/95/73/87/558957387.db2.gz MMLBLZPMPYLHTR-UHFFFAOYSA-N 1 1 424.545 2.926 40 0 HFABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)C4CCOCC4)nc32)c1 ZINC000072371038 558957390 /nfs/dbraw/zinc/95/73/90/558957390.db2.gz MMLBLZPMPYLHTR-UHFFFAOYSA-N 1 1 424.545 2.926 40 0 HFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374277 558961736 /nfs/dbraw/zinc/96/17/36/558961736.db2.gz YEFRWUJFXIKTSS-OAHLLOKOSA-N 1 1 401.486 2.690 40 0 HFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 ZINC000072374276 558961769 /nfs/dbraw/zinc/96/17/69/558961769.db2.gz YEFRWUJFXIKTSS-HNNXBMFYSA-N 1 1 401.486 2.690 40 0 HFABMO CC(C)(C)NC(=O)CNC(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706072 558968722 /nfs/dbraw/zinc/96/87/22/558968722.db2.gz OHFNYVPVTSOPAY-GOSISDBHSA-N 1 1 409.534 2.501 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc(OC)c1OC ZINC000072390056 558970458 /nfs/dbraw/zinc/97/04/58/558970458.db2.gz XYJTYJVZCMAXJG-OAHLLOKOSA-N 1 1 411.462 2.932 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019708863 558971448 /nfs/dbraw/zinc/97/14/48/558971448.db2.gz KQRYZQUMMQRXOA-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710559 558972548 /nfs/dbraw/zinc/97/25/48/558972548.db2.gz FPPWXLODSXQIOK-SFHVURJKSA-N 1 1 423.561 2.908 40 0 HFABMO Cn1c(=O)cc(C(=O)N[C@H](CC[NH+]2CCOCC2)c2ccccc2)c2ccccc21 ZINC000019714356 558974199 /nfs/dbraw/zinc/97/41/99/558974199.db2.gz GRXWEKGRHJWFCT-OAQYLSRUSA-N 1 1 405.498 2.732 40 0 HFABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101792 559024817 /nfs/dbraw/zinc/02/48/17/559024817.db2.gz GUSJWGBFAIUTBG-JOCHJYFZSA-N 1 1 424.480 2.892 40 0 HFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101792 559024818 /nfs/dbraw/zinc/02/48/18/559024818.db2.gz GUSJWGBFAIUTBG-JOCHJYFZSA-N 1 1 424.480 2.892 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104185 559025880 /nfs/dbraw/zinc/02/58/80/559025880.db2.gz MJCASPNYPAQUGJ-SLYNCCJLSA-N 1 1 404.526 2.848 40 0 HFABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104465 559027021 /nfs/dbraw/zinc/02/70/21/559027021.db2.gz OXKVZPOPKVHKKE-JBACZVJFSA-N 1 1 402.535 2.639 40 0 HFABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105134 559027595 /nfs/dbraw/zinc/02/75/95/559027595.db2.gz ZBHZCELWADLKAR-CEMLEFRQSA-N 1 1 416.562 2.568 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144159 559096469 /nfs/dbraw/zinc/09/64/69/559096469.db2.gz YGLHLAGGQXSBCV-RUZDIDTESA-N 1 1 420.557 2.935 40 0 HFABMO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3ccncc3)C2)N1Cc1cccnc1 ZINC000096261933 559106195 /nfs/dbraw/zinc/10/61/95/559106195.db2.gz BSJBCHRYHTYPCD-JOCHJYFZSA-N 1 1 406.511 2.782 40 0 HFABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3ccncc3)C2)N1Cc1cccnc1 ZINC000096261933 559106196 /nfs/dbraw/zinc/10/61/96/559106196.db2.gz BSJBCHRYHTYPCD-JOCHJYFZSA-N 1 1 406.511 2.782 40 0 HFABMO CC(=O)N[C@]12C[N@@H+](Cc3ccc(O)cc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000585261352 559108837 /nfs/dbraw/zinc/10/88/37/559108837.db2.gz XHTFGTGJJUEHLM-WXFUMESZSA-N 1 1 407.514 2.692 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115834 /nfs/dbraw/zinc/11/58/34/559115834.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 1 1 414.546 2.525 40 0 HFABMO COc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115835 /nfs/dbraw/zinc/11/58/35/559115835.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 1 1 414.546 2.525 40 0 HFABMO COc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269642 559115836 /nfs/dbraw/zinc/11/58/36/559115836.db2.gz FOVOWTROKBMMFR-XMMPIXPASA-N 1 1 414.546 2.525 40 0 HFABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273758 559118302 /nfs/dbraw/zinc/11/83/02/559118302.db2.gz QQSDILQUMCCDCP-QHCPKHFHSA-N 1 1 416.493 2.617 40 0 HFABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233731 559283895 /nfs/dbraw/zinc/28/38/95/559283895.db2.gz GQMSSPVNFHGYAE-DEOSSOPVSA-N 1 1 412.530 2.786 40 0 HFABMO COc1ccc(NC(=O)NC2(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCCCC2)cc1 ZINC000004982004 560623046 /nfs/dbraw/zinc/62/30/46/560623046.db2.gz RLRWWQUCRQGFIR-GOSISDBHSA-N 1 1 400.523 2.826 40 0 HFABMO CC[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccccc2OC)CC1 ZINC000019528101 560874835 /nfs/dbraw/zinc/87/48/35/560874835.db2.gz JZXOXDLLFLRREW-QFIPXVFZSA-N 1 1 406.534 2.651 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4cc(F)cc(F)c4)C[C@@H]32)c(OC)n1 ZINC000019594817 560875352 /nfs/dbraw/zinc/87/53/52/560875352.db2.gz PBTAOUAWCZBFLG-YMTYPPQLSA-N 1 1 405.445 2.892 40 0 HFABMO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(=O)C2 ZINC000002701280 560885269 /nfs/dbraw/zinc/88/52/69/560885269.db2.gz LWACJXZEKZVVLO-XMSQKQJNSA-N 1 1 404.576 2.966 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223330473 568545463 /nfs/dbraw/zinc/54/54/63/568545463.db2.gz MPBBIDNTGOVEAU-QGZVFWFLSA-N 1 1 415.987 2.731 40 0 HFABMO Cc1cc(C(=O)N2CC[NH+](C)CC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224218458 568574096 /nfs/dbraw/zinc/57/40/96/568574096.db2.gz YRAYFCPXLNCKIV-UHFFFAOYSA-N 1 1 421.950 2.861 40 0 HFABMO Cc1ccccc1N(CCCC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000224976432 568606972 /nfs/dbraw/zinc/60/69/72/568606972.db2.gz MJGOGHIEENFBHM-GOSISDBHSA-N 1 1 409.596 2.779 40 0 HFABMO CN(C)c1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145038 568747677 /nfs/dbraw/zinc/74/76/77/568747677.db2.gz VPHCTKOJUJZYCJ-LJQANCHMSA-N 1 1 408.424 2.941 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257221771 568782566 /nfs/dbraw/zinc/78/25/66/568782566.db2.gz DQLGNLGLMRZYPB-HSZRJFAPSA-N 1 1 403.567 2.732 40 0 HFABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000257223398 568782997 /nfs/dbraw/zinc/78/29/97/568782997.db2.gz DXECONHSNYFTOJ-BORCDFBASA-N 1 1 422.529 2.977 40 0 HFABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cccnc1=O)[C@@H]2Cc1ccccc1 ZINC000257274909 568796892 /nfs/dbraw/zinc/79/68/92/568796892.db2.gz NNEGFEDZQBMPMP-HNTODFAGSA-N 1 1 420.557 2.718 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3[nH]2)[C@H]1O ZINC000257279733 568798377 /nfs/dbraw/zinc/79/83/77/568798377.db2.gz OHYDJAWRVWSAED-WRWLIDTKSA-N 1 1 401.898 2.925 40 0 HFABMO O=C(c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286822 568800703 /nfs/dbraw/zinc/80/07/03/568800703.db2.gz PNEWNRPQTDHETD-GOSISDBHSA-N 1 1 405.502 2.810 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298558 568804046 /nfs/dbraw/zinc/80/40/46/568804046.db2.gz RMGBXCYZLBOUIJ-QHCPKHFHSA-N 1 1 407.518 2.837 40 0 HFABMO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000257298558 568804047 /nfs/dbraw/zinc/80/40/47/568804047.db2.gz RMGBXCYZLBOUIJ-QHCPKHFHSA-N 1 1 407.518 2.837 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000257298558 568804048 /nfs/dbraw/zinc/80/40/48/568804048.db2.gz RMGBXCYZLBOUIJ-QHCPKHFHSA-N 1 1 407.518 2.837 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309669 568807380 /nfs/dbraw/zinc/80/73/80/568807380.db2.gz UBWZMVYNKNDZBT-NRFANRHFSA-N 1 1 418.563 2.532 40 0 HFABMO O=C1CCCN1c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc4ccccc4n3)C1)COC2 ZINC000306123651 568886733 /nfs/dbraw/zinc/88/67/33/568886733.db2.gz ATCNABHJHBTVST-DEOSSOPVSA-N 1 1 415.497 2.826 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1 ZINC000306124167 568887251 /nfs/dbraw/zinc/88/72/51/568887251.db2.gz BIDZOQMXHYZDLS-NHCUHLMSSA-N 1 1 401.514 2.821 40 0 HFABMO CN1C[C@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306124577 568887667 /nfs/dbraw/zinc/88/76/67/568887667.db2.gz BTVLIZHEENSBOG-HXUWFJFHSA-N 1 1 417.550 2.869 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306126392 568889011 /nfs/dbraw/zinc/88/90/11/568889011.db2.gz DULWYHFBIJJQIS-ROUUACIJSA-N 1 1 403.486 2.843 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306127323 568889978 /nfs/dbraw/zinc/88/99/78/568889978.db2.gz FVSMCYSPJBBRCU-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306135161 568896962 /nfs/dbraw/zinc/89/69/62/568896962.db2.gz OJOVYBFMMGGODG-IRXDYDNUSA-N 1 1 421.476 2.982 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306136657 568898380 /nfs/dbraw/zinc/89/83/80/568898380.db2.gz PZIDBYXJUVQWLQ-WOJBJXKFSA-N 1 1 417.513 2.521 40 0 HFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000306142044 568903461 /nfs/dbraw/zinc/90/34/61/568903461.db2.gz WNPASNWHBUJQTK-PMACEKPBSA-N 1 1 402.454 2.693 40 0 HFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000306142044 568903462 /nfs/dbraw/zinc/90/34/62/568903462.db2.gz WNPASNWHBUJQTK-PMACEKPBSA-N 1 1 402.454 2.693 40 0 HFABMO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)C2(CN)C[NH3+])cc1 ZINC000218227227 568928414 /nfs/dbraw/zinc/92/84/14/568928414.db2.gz ONIUQALVLXKTAU-SJORKVTESA-N 1 1 409.349 2.601 40 0 HFABMO CCS(=O)(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546891 569050152 /nfs/dbraw/zinc/05/01/52/569050152.db2.gz IEFGRADEUAHHMH-FXAWDEMLSA-N 1 1 407.605 2.935 40 0 HFABMO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198832 569058928 /nfs/dbraw/zinc/05/89/28/569058928.db2.gz JOOVBUDCBFQMDE-OXHIVJRSSA-N 1 1 418.541 2.969 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)CC1 ZINC000006325873 569330911 /nfs/dbraw/zinc/33/09/11/569330911.db2.gz SEYPFMYFRGPXID-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000006953333 569335623 /nfs/dbraw/zinc/33/56/23/569335623.db2.gz YGJPXIYXIYCEJZ-UHFFFAOYSA-N 1 1 421.950 2.699 40 0 HFABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019462439 569345583 /nfs/dbraw/zinc/34/55/83/569345583.db2.gz CFNKKKRZSVULGS-GUDVDZBRSA-N 1 1 400.567 2.654 40 0 HFABMO C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccncc4)n3)cn2)CC1 ZINC000049155139 291220639 /nfs/dbraw/zinc/22/06/39/291220639.db2.gz VIMQTKAQOQQQKG-IBGZPJMESA-N 1 1 405.506 2.616 40 0 biogenic,in-vitro HFABMO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCOCC2)c1 ZINC000012601836 291226484 /nfs/dbraw/zinc/22/64/84/291226484.db2.gz POZQLLWBYIXIPJ-JENIJYKNSA-N 1 1 404.580 2.573 40 0 biogenic,in-vitro HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012114540 132354153 /nfs/dbraw/zinc/35/41/53/132354153.db2.gz UUPWSXSNRYFZRU-SVGJNIJCSA-N 1 1 423.561 2.864 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012114540 132354154 /nfs/dbraw/zinc/35/41/54/132354154.db2.gz UUPWSXSNRYFZRU-SVGJNIJCSA-N 1 1 423.561 2.864 40 0 HFABMO CCc1ccc(Nc2nc(-c3cnc(N4CC[NH+](C)CC4)nc3C)cc(=O)[nH]2)cc1 ZINC000040389120 523997025 /nfs/dbraw/zinc/99/70/25/523997025.db2.gz VCYKNVPXZMKZQQ-UHFFFAOYSA-N 1 1 405.506 2.593 40 0 HFABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2n1 ZINC000019743510 558263960 /nfs/dbraw/zinc/26/39/60/558263960.db2.gz RRHCPCPZYDSBQY-SFHVURJKSA-N 1 1 417.510 2.764 40 0 HFABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766325 558278474 /nfs/dbraw/zinc/27/84/74/558278474.db2.gz MBDIAHKIYKPBJD-FQEVSTJZSA-N 1 1 421.545 2.517 40 0 HFABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766325 558278477 /nfs/dbraw/zinc/27/84/77/558278477.db2.gz MBDIAHKIYKPBJD-FQEVSTJZSA-N 1 1 421.545 2.517 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000020041651 558326115 /nfs/dbraw/zinc/32/61/15/558326115.db2.gz VACHPDKJYGNDJA-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122507 558330706 /nfs/dbraw/zinc/33/07/06/558330706.db2.gz GTXGPZNRQZLUFB-UHFFFAOYSA-N 1 1 407.474 2.924 40 0 HFABMO COc1ccc(-c2nccc3ccn(CC(=O)N[C@H]4CCC[N@@H+](C)C4)c32)cc1OC ZINC000012135491 558333809 /nfs/dbraw/zinc/33/38/09/558333809.db2.gz APOYHLDWLXLUOH-SFHVURJKSA-N 1 1 408.502 2.931 40 0 HFABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)NC4CC4)CC3)c(=O)c2c1C ZINC000012145317 558336538 /nfs/dbraw/zinc/33/65/38/558336538.db2.gz OTBULRQEVDAFSO-UHFFFAOYSA-N 1 1 400.548 2.868 40 0 HFABMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020522565 558383699 /nfs/dbraw/zinc/38/36/99/558383699.db2.gz ZUGBJJOWVPLXFG-IBGZPJMESA-N 1 1 401.869 2.929 40 0 HFABMO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012362145 558387145 /nfs/dbraw/zinc/38/71/45/558387145.db2.gz FEYSJGVFFDBGQZ-LJQANCHMSA-N 1 1 413.543 2.675 40 0 HFABMO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012362145 558387148 /nfs/dbraw/zinc/38/71/48/558387148.db2.gz FEYSJGVFFDBGQZ-LJQANCHMSA-N 1 1 413.543 2.675 40 0 HFABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000036741221 558802119 /nfs/dbraw/zinc/80/21/19/558802119.db2.gz BVLYZUXNIRKKNG-JOCHJYFZSA-N 1 1 408.546 2.872 40 0 HFABMO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000019216436 558850375 /nfs/dbraw/zinc/85/03/75/558850375.db2.gz PNENKOCZJAPJFT-UHFFFAOYSA-N 1 1 412.534 2.503 40 0 HFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3C(C)C)C2)CC1 ZINC000019287825 558860938 /nfs/dbraw/zinc/86/09/38/558860938.db2.gz SHXPCIQNDIHQSD-IBGZPJMESA-N 1 1 424.545 2.722 40 0 HFABMO Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019289139 558862034 /nfs/dbraw/zinc/86/20/34/558862034.db2.gz QVDCLRCVAMVUEC-IBGZPJMESA-N 1 1 424.549 2.974 40 0 HFABMO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019292903 558864679 /nfs/dbraw/zinc/86/46/79/558864679.db2.gz ZQGVNZPPIJXYGW-HNNXBMFYSA-N 1 1 405.445 2.929 40 0 HFABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019292903 558864681 /nfs/dbraw/zinc/86/46/81/558864681.db2.gz ZQGVNZPPIJXYGW-HNNXBMFYSA-N 1 1 405.445 2.929 40 0 HFABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(OCCO)cc3)C[C@H]2c2cc(F)ccc2F)N1 ZINC000019334498 558869477 /nfs/dbraw/zinc/86/94/77/558869477.db2.gz RSDKNKRTWKARHP-NZQKXSOJSA-N 1 1 416.468 2.974 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369968 558878162 /nfs/dbraw/zinc/87/81/62/558878162.db2.gz OJNQMSQXNKPZBC-RTWAWAEBSA-N 1 1 420.557 2.775 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448180 558887010 /nfs/dbraw/zinc/88/70/10/558887010.db2.gz GZXGADXPQUAABW-NRFANRHFSA-N 1 1 423.561 2.970 40 0 HFABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019501599 558899644 /nfs/dbraw/zinc/89/96/44/558899644.db2.gz ONHVPKJFMWAWOF-HNNXBMFYSA-N 1 1 400.548 2.896 40 0 HFABMO CCOC(=O)c1sc(NC(=O)CN2C[C@@H](C)[N@H+](Cc3ccco3)C[C@H]2C)nc1C ZINC000019530712 558911723 /nfs/dbraw/zinc/91/17/23/558911723.db2.gz WARLJWLKDVZIMU-ZIAGYGMSSA-N 1 1 420.535 2.755 40 0 HFABMO CCOC(=O)c1sc(NC(=O)CN2C[C@@H](C)[N@@H+](Cc3ccco3)C[C@H]2C)nc1C ZINC000019530712 558911727 /nfs/dbraw/zinc/91/17/27/558911727.db2.gz WARLJWLKDVZIMU-ZIAGYGMSSA-N 1 1 420.535 2.755 40 0 HFABMO Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019580391 558936109 /nfs/dbraw/zinc/93/61/09/558936109.db2.gz XFTNJLOPEHSXCO-IBGZPJMESA-N 1 1 413.522 2.850 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595106 558945881 /nfs/dbraw/zinc/94/58/81/558945881.db2.gz QJOVQFYDHITVMJ-MRXNPFEDSA-N 1 1 407.474 2.624 40 0 HFABMO Cc1cccnc1Nc1ccc([C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000072353279 558950108 /nfs/dbraw/zinc/95/01/08/558950108.db2.gz OMXKGMVUMZAVSP-IBGZPJMESA-N 1 1 409.534 2.957 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373097 558960761 /nfs/dbraw/zinc/96/07/61/558960761.db2.gz ROOULFYYWGUYBD-SBHAEUEKSA-N 1 1 412.578 2.940 40 0 HFABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@@H+]3CC(=O)N3CCCCC3)nc2)cn1 ZINC000019691812 558961196 /nfs/dbraw/zinc/96/11/96/558961196.db2.gz TUWNARWPXUNQNY-OAQYLSRUSA-N 1 1 407.518 2.653 40 0 HFABMO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[N@H+]3CC(=O)N3CCCCC3)nc2)cn1 ZINC000019691812 558961199 /nfs/dbraw/zinc/96/11/99/558961199.db2.gz TUWNARWPXUNQNY-OAQYLSRUSA-N 1 1 407.518 2.653 40 0 HFABMO Cc1nonc1CN(C)C(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706037 558968697 /nfs/dbraw/zinc/96/86/97/558968697.db2.gz JTBWUBLNOVWRCU-SFHVURJKSA-N 1 1 406.490 2.820 40 0 HFABMO CCC(=O)N[C@H]1C[N@H+](Cc2cnn(CC)c2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395729 558974780 /nfs/dbraw/zinc/97/47/80/558974780.db2.gz CRFVZIVOGXETFX-RTWAWAEBSA-N 1 1 409.534 2.898 40 0 HFABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)s1 ZINC000585100474 559023984 /nfs/dbraw/zinc/02/39/84/559023984.db2.gz LCFIVSIKOZRHJV-OAQYLSRUSA-N 1 1 404.580 2.729 40 0 HFABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103163 559026539 /nfs/dbraw/zinc/02/65/39/559026539.db2.gz DZEKBMPSTNKACA-WOJBJXKFSA-N 1 1 400.519 2.644 40 0 HFABMO COC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103163 559026541 /nfs/dbraw/zinc/02/65/41/559026541.db2.gz DZEKBMPSTNKACA-WOJBJXKFSA-N 1 1 400.519 2.644 40 0 HFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106251 559028559 /nfs/dbraw/zinc/02/85/59/559028559.db2.gz IHWZGTVHMPTNEF-UIFIKXQLSA-N 1 1 412.578 2.594 40 0 HFABMO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036429 559090141 /nfs/dbraw/zinc/09/01/41/559090141.db2.gz UGNFYXQAGZQELH-HSZRJFAPSA-N 1 1 403.542 2.609 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036429 559090142 /nfs/dbraw/zinc/09/01/42/559090142.db2.gz UGNFYXQAGZQELH-HSZRJFAPSA-N 1 1 403.542 2.609 40 0 HFABMO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215466 559101675 /nfs/dbraw/zinc/10/16/75/559101675.db2.gz NNUOTGMFXQLPKF-OAQYLSRUSA-N 1 1 408.564 2.598 40 0 HFABMO Cc1ccc(N2CC[N@@H+](CC(C)C)C3(CCN(C(=O)NC(C)C)CC3)C2=O)cn1 ZINC000096230378 559103014 /nfs/dbraw/zinc/10/30/14/559103014.db2.gz GHFOVEGFGYYRCP-UHFFFAOYSA-N 1 1 401.555 2.647 40 0 HFABMO Cc1ccc(N2CC[N@H+](CC(C)C)C3(CCN(C(=O)NC(C)C)CC3)C2=O)cn1 ZINC000096230378 559103015 /nfs/dbraw/zinc/10/30/15/559103015.db2.gz GHFOVEGFGYYRCP-UHFFFAOYSA-N 1 1 401.555 2.647 40 0 HFABMO Cc1ccc(CC(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000096262732 559106661 /nfs/dbraw/zinc/10/66/61/559106661.db2.gz QHYRSJRBNPFUCQ-RUZDIDTESA-N 1 1 411.590 2.966 40 0 HFABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262570 559111126 /nfs/dbraw/zinc/11/11/26/559111126.db2.gz UBDILVZZMXMEIZ-SFHVURJKSA-N 1 1 405.491 2.601 40 0 HFABMO CC(=O)N(C)[C@@H]1CO[C@@H]2CC[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C[C@@H]2C[C@@]1(C)O ZINC000585283898 559120752 /nfs/dbraw/zinc/12/07/52/559120752.db2.gz PQIBNCAXUFMZMV-ILWPDHKNSA-N 1 1 424.626 2.663 40 0 HFABMO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)ccc21 ZINC000116371195 559189498 /nfs/dbraw/zinc/18/94/98/559189498.db2.gz DQJREHORGPJAKB-UHFFFAOYSA-N 1 1 424.526 2.958 40 0 HFABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233732 559283957 /nfs/dbraw/zinc/28/39/57/559283957.db2.gz GQMSSPVNFHGYAE-XMMPIXPASA-N 1 1 412.530 2.786 40 0 HFABMO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCCC1 ZINC000001222909 560571957 /nfs/dbraw/zinc/57/19/57/560571957.db2.gz QLJYAFMYJHEGEM-IBGZPJMESA-N 1 1 424.505 2.964 40 0 HFABMO COc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)cc1OC ZINC000004968197 560622347 /nfs/dbraw/zinc/62/23/47/560622347.db2.gz CNGDNXIUADRLFH-UHFFFAOYSA-N 1 1 413.453 2.863 40 0 HFABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499544 560873438 /nfs/dbraw/zinc/87/34/38/560873438.db2.gz SADUHLYFOUONOF-HXUWFJFHSA-N 1 1 423.565 2.613 40 0 HFABMO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000020098557 560880484 /nfs/dbraw/zinc/88/04/84/560880484.db2.gz YDHNHBFVZHYVEZ-GGAORHGYSA-N 1 1 418.545 2.908 40 0 HFABMO CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC1CC[NH+](Cc3ccccc3)CC1)C(=O)C2 ZINC000002701278 560885231 /nfs/dbraw/zinc/88/52/31/560885231.db2.gz LWACJXZEKZVVLO-AVRDEDQJSA-N 1 1 404.576 2.966 40 0 HFABMO Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccccc3)nn2)c1 ZINC000008254379 565090626 /nfs/dbraw/zinc/09/06/26/565090626.db2.gz OOWMNRBQZHRSNH-BWAGFHJFSA-N 1 1 416.529 2.554 40 0 biogenic,in-vitro HFABMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)n2ncnc2N1 ZINC000022438244 568486381 /nfs/dbraw/zinc/48/63/81/568486381.db2.gz DEXXFFFRZIRAHZ-JOCHJYFZSA-N 1 1 414.513 2.911 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)cc1 ZINC000033772635 568520728 /nfs/dbraw/zinc/52/07/28/568520728.db2.gz ZPXAYNDLMJTIIK-KEXUJGGDSA-N 1 1 405.429 2.565 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)cc1 ZINC000033772635 568520729 /nfs/dbraw/zinc/52/07/29/568520729.db2.gz ZPXAYNDLMJTIIK-KEXUJGGDSA-N 1 1 405.429 2.565 40 0 HFABMO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224318410 568577727 /nfs/dbraw/zinc/57/77/27/568577727.db2.gz PXNHUBFZJNBZMJ-UHFFFAOYSA-N 1 1 421.950 2.861 40 0 HFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000224735974 568594148 /nfs/dbraw/zinc/59/41/48/568594148.db2.gz FPOURGISSXMYJE-UHFFFAOYSA-N 1 1 407.514 2.571 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905866 568743798 /nfs/dbraw/zinc/74/37/98/568743798.db2.gz TUFXTSVONLHYHA-UXHICEINSA-N 1 1 421.607 2.858 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000260905864 568743843 /nfs/dbraw/zinc/74/38/43/568743843.db2.gz TUFXTSVONLHYHA-PMACEKPBSA-N 1 1 421.607 2.858 40 0 HFABMO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145034 568747705 /nfs/dbraw/zinc/74/77/05/568747705.db2.gz VPHCTKOJUJZYCJ-IBGZPJMESA-N 1 1 408.424 2.941 40 0 HFABMO Cn1c2ccc(C[N@H+]3C[C@@H](c4ccccc4F)[C@]4(C3)CCCC(=O)N4)cc2n(C)c1=O ZINC000257221922 568782403 /nfs/dbraw/zinc/78/24/03/568782403.db2.gz DRDXZVPSUUGQAI-MHECFPHRSA-N 1 1 422.504 2.654 40 0 HFABMO CCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299701 568804496 /nfs/dbraw/zinc/80/44/96/568804496.db2.gz RRCRPHNRAAWOCR-QHCPKHFHSA-N 1 1 414.550 2.778 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3sc(N)nc3C)CC2)cc1 ZINC000257309670 568807302 /nfs/dbraw/zinc/80/73/02/568807302.db2.gz UBWZMVYNKNDZBT-OAQYLSRUSA-N 1 1 418.563 2.532 40 0 HFABMO CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2Cn2cc[nH+]c2C)C1 ZINC000257314481 568808572 /nfs/dbraw/zinc/80/85/72/568808572.db2.gz UXELCQRKOGHREM-XMMPIXPASA-N 1 1 417.513 2.555 40 0 HFABMO CC(C)n1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306123200 568886228 /nfs/dbraw/zinc/88/62/28/568886228.db2.gz AHEYWKHEKRHMJC-IAGOWNOFSA-N 1 1 423.496 2.751 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306124185 568887217 /nfs/dbraw/zinc/88/72/17/568887217.db2.gz BIQKRLOSIWIFIY-IRXDYDNUSA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(CN2CCO[C@@]3(C[N@H+](C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125313 568888141 /nfs/dbraw/zinc/88/81/41/568888141.db2.gz CMHACGRMSYKICE-ISKFKSNPSA-N 1 1 407.514 2.840 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306128679 568891445 /nfs/dbraw/zinc/89/14/45/568891445.db2.gz HHZWHGIJSYGBCF-IBGZPJMESA-N 1 1 407.518 2.954 40 0 HFABMO CN1CC[NH+](C[C@H]2CC3(CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)O2)CC1 ZINC000306131231 568893277 /nfs/dbraw/zinc/89/32/77/568893277.db2.gz JYYJIPITFFSAES-LOIQHOORSA-N 1 1 401.595 2.600 40 0 HFABMO Cc1nc(CN2C[C@]3(CC[N@@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131945 568894127 /nfs/dbraw/zinc/89/41/27/568894127.db2.gz KTQZTVHPRXEAQF-HXUWFJFHSA-N 1 1 419.572 2.889 40 0 HFABMO CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133892 568895863 /nfs/dbraw/zinc/89/58/63/568895863.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133892 568895866 /nfs/dbraw/zinc/89/58/66/568895866.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133892 568895867 /nfs/dbraw/zinc/89/58/67/568895867.db2.gz MYPBWZGBZMZKSP-SFTDATJTSA-N 1 1 419.616 2.764 40 0 HFABMO Cc1cnc(C(=O)N2CCN(C)[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)cn1 ZINC000306137452 568899305 /nfs/dbraw/zinc/89/93/05/568899305.db2.gz QWPTUORZBPXXKQ-NRFANRHFSA-N 1 1 413.485 2.624 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@]12CCCN(CC1CC1)C2=O ZINC000306140084 568901926 /nfs/dbraw/zinc/90/19/26/568901926.db2.gz UJMSQXPQUAXJAD-YADARESESA-N 1 1 422.529 2.767 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144527 568905899 /nfs/dbraw/zinc/90/58/99/568905899.db2.gz ZHWCALRBPJPEOD-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145162 568906577 /nfs/dbraw/zinc/90/65/77/568906577.db2.gz ZZUNTUDDSAEDDY-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000001336135 569023788 /nfs/dbraw/zinc/02/37/88/569023788.db2.gz ZCBOEVSHBCJLLB-FCHUYYIVSA-N 1 1 406.509 2.924 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583786 569345832 /nfs/dbraw/zinc/34/58/32/569345832.db2.gz RFUNNJPYRIUQHL-WZONZLPQSA-N 1 1 412.534 2.759 40 0 HFABMO CC(=O)NCc1cnc2cc(C)nn2c1[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019704878 569347792 /nfs/dbraw/zinc/34/77/92/569347792.db2.gz SQSVLQOPCXGAJC-NRFANRHFSA-N 1 1 418.501 2.729 40 0 HFABMO CC(=O)NCc1cnc2cc(C)nn2c1[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019704878 569347793 /nfs/dbraw/zinc/34/77/93/569347793.db2.gz SQSVLQOPCXGAJC-NRFANRHFSA-N 1 1 418.501 2.729 40 0 HFABMO CN(C)c1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019760150 569348902 /nfs/dbraw/zinc/34/89/02/569348902.db2.gz WWFUBUWHPUKTFI-OAQYLSRUSA-N 1 1 422.577 2.721 40 0 HFABMO CN(C)c1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019760150 569348903 /nfs/dbraw/zinc/34/89/03/569348903.db2.gz WWFUBUWHPUKTFI-OAQYLSRUSA-N 1 1 422.577 2.721 40 0 HFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@@H]2CCCN(C(=O)C(C)C)C2)on1 ZINC000012119467 132354534 /nfs/dbraw/zinc/35/45/34/132354534.db2.gz VHLVQJKMJVODSX-QGZVFWFLSA-N 1 1 412.538 2.554 40 0 HFABMO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000408700372 557718006 /nfs/dbraw/zinc/71/80/06/557718006.db2.gz DUMYMRZWXDPKIQ-UHFFFAOYSA-N 1 1 419.572 2.621 40 0 HFABMO Cc1nc(NC2CCCC2)cc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH+]1 ZINC000019758832 558275309 /nfs/dbraw/zinc/27/53/09/558275309.db2.gz FCBZOZVPXGKJFS-UHFFFAOYSA-N 1 1 418.567 2.516 40 0 HFABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761928 558276833 /nfs/dbraw/zinc/27/68/33/558276833.db2.gz VFBRTXYPWAMCST-MRXNPFEDSA-N 1 1 421.545 2.967 40 0 HFABMO Cc1cc2c(cc3c(=O)n(CC(=O)NCCC[N@@H+]4CCCC[C@@H]4C)nc(C)n23)s1 ZINC000012115380 558327757 /nfs/dbraw/zinc/32/77/57/558327757.db2.gz CNXGPZCOBOKNQS-AWEZNQCLSA-N 1 1 415.563 2.708 40 0 HFABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O ZINC000012293135 558366225 /nfs/dbraw/zinc/36/62/25/558366225.db2.gz LRBUGTIHIIUDJD-NWMVZANLSA-N 1 1 414.477 2.713 40 0 HFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1F ZINC000012366346 558388260 /nfs/dbraw/zinc/38/82/60/558388260.db2.gz JCOGIWJCCOCRJC-VSOVRNOCSA-N 1 1 401.457 2.957 40 0 HFABMO CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCC(C(N)=O)CC1 ZINC000082061251 558827622 /nfs/dbraw/zinc/82/76/22/558827622.db2.gz CXJJGZMQAARCFU-INIZCTEOSA-N 1 1 400.483 2.785 40 0 HFABMO Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019213183 558849016 /nfs/dbraw/zinc/84/90/16/558849016.db2.gz FPSFVQZPSFADTE-GOSISDBHSA-N 1 1 420.517 2.779 40 0 HFABMO Cc1cccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](C(C)C)CC2)c1 ZINC000019234893 558854193 /nfs/dbraw/zinc/85/41/93/558854193.db2.gz UVGISQDTRNXINI-UHFFFAOYSA-N 1 1 418.541 2.944 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339316 558871182 /nfs/dbraw/zinc/87/11/82/558871182.db2.gz WMQKARMWVSHMOH-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339316 558871186 /nfs/dbraw/zinc/87/11/86/558871186.db2.gz WMQKARMWVSHMOH-NRFANRHFSA-N 1 1 421.545 2.967 40 0 HFABMO Fc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000019371431 558879242 /nfs/dbraw/zinc/87/92/42/558879242.db2.gz ZCBOEVSHBCJLLB-FGZHOGPDSA-N 1 1 406.509 2.924 40 0 HFABMO COc1ccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019450075 558888646 /nfs/dbraw/zinc/88/86/46/558888646.db2.gz WQXAZVLGIRDMNW-SFTDATJTSA-N 1 1 423.561 2.826 40 0 HFABMO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 ZINC000019457825 558892502 /nfs/dbraw/zinc/89/25/02/558892502.db2.gz RSCBKVSEFGGVCR-AUSIDOKSSA-N 1 1 419.529 2.857 40 0 HFABMO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)Cn3cncn3)CC2)cc1 ZINC000019457823 558892511 /nfs/dbraw/zinc/89/25/11/558892511.db2.gz RSCBKVSEFGGVCR-XXBNENTESA-N 1 1 419.529 2.857 40 0 HFABMO CC[C@@H](C)C(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4nccs4)CC3)ccc21 ZINC000019499898 558898080 /nfs/dbraw/zinc/89/80/80/558898080.db2.gz CHHNQVSTAWXJKN-UZLBHIALSA-N 1 1 414.575 2.934 40 0 HFABMO CCOc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1OC ZINC000019533914 558913483 /nfs/dbraw/zinc/91/34/83/558913483.db2.gz UPPIEDQNIJHRLG-UHFFFAOYSA-N 1 1 406.486 2.840 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc(OC)c1OC ZINC000019549799 558914626 /nfs/dbraw/zinc/91/46/26/558914626.db2.gz VTGZGNKDAVNNGY-INIZCTEOSA-N 1 1 424.505 2.673 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1 ZINC000019555692 558918427 /nfs/dbraw/zinc/91/84/27/558918427.db2.gz JHLXWEBJDOEYNL-JTSKRJEESA-N 1 1 402.441 2.848 40 0 HFABMO Cc1nnsc1C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019563612 558923693 /nfs/dbraw/zinc/92/36/93/558923693.db2.gz FZWFUZGFHJNIGW-UHFFFAOYSA-N 1 1 414.510 2.781 40 0 HFABMO COc1cccc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1OC(F)F ZINC000019567244 558926813 /nfs/dbraw/zinc/92/68/13/558926813.db2.gz VJUVYEYUNGEDBT-UHFFFAOYSA-N 1 1 420.460 2.581 40 0 HFABMO COCCOc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019593680 558944585 /nfs/dbraw/zinc/94/45/85/558944585.db2.gz RGVXTXKTXFHLOO-LJQANCHMSA-N 1 1 406.486 2.847 40 0 HFABMO COCc1ccc(OC)c(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019594332 558945159 /nfs/dbraw/zinc/94/51/59/558945159.db2.gz BWEDLRZEKVFBTM-GOSISDBHSA-N 1 1 406.486 2.976 40 0 HFABMO Cc1ccc2ncnc(NCCC(=O)N3CCC[N@H+](Cc4ccccn4)CC3)c2c1 ZINC000019659587 558950935 /nfs/dbraw/zinc/95/09/35/558950935.db2.gz YHHODJCYNAZSAZ-UHFFFAOYSA-N 1 1 404.518 2.870 40 0 HFABMO Cc1ccc2ncnc(NCCC(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)c2c1 ZINC000019659587 558950937 /nfs/dbraw/zinc/95/09/37/558950937.db2.gz YHHODJCYNAZSAZ-UHFFFAOYSA-N 1 1 404.518 2.870 40 0 HFABMO COC[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354511 558951830 /nfs/dbraw/zinc/95/18/30/558951830.db2.gz SMYJZHHLGHCGQF-NRFANRHFSA-N 1 1 409.530 2.908 40 0 HFABMO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356211 558953129 /nfs/dbraw/zinc/95/31/29/558953129.db2.gz JAFVYJYPOHOMBT-IBGZPJMESA-N 1 1 412.456 2.884 40 0 HFABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(-c4cnc(N)nc4)cn3)C2)cc1 ZINC000019688635 558958205 /nfs/dbraw/zinc/95/82/05/558958205.db2.gz WNQYWJJHOFJKRR-KRWDZBQOSA-N 1 1 418.501 2.948 40 0 HFABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(-c4cnc(N)nc4)cn3)C2)cc1 ZINC000019688635 558958208 /nfs/dbraw/zinc/95/82/08/558958208.db2.gz WNQYWJJHOFJKRR-KRWDZBQOSA-N 1 1 418.501 2.948 40 0 HFABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@H+](C3CCCC3)C1)C2=O ZINC000019699649 558966746 /nfs/dbraw/zinc/96/67/46/558966746.db2.gz PEZGXQFIRNLFQX-FQEVSTJZSA-N 1 1 424.545 2.620 40 0 HFABMO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCOCC2)n1 ZINC000019700832 558967151 /nfs/dbraw/zinc/96/71/51/558967151.db2.gz VPUPMRCHPYKUOM-OAHLLOKOSA-N 1 1 413.497 2.789 40 0 HFABMO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)C2CCOCC2)n1 ZINC000019700832 558967154 /nfs/dbraw/zinc/96/71/54/558967154.db2.gz VPUPMRCHPYKUOM-OAHLLOKOSA-N 1 1 413.497 2.789 40 0 HFABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 ZINC000019708420 558970824 /nfs/dbraw/zinc/97/08/24/558970824.db2.gz AAARUTPZKYTBRC-MRXNPFEDSA-N 1 1 409.534 2.948 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCc1ccccc1OC)CC2 ZINC000019710328 558972184 /nfs/dbraw/zinc/97/21/84/558972184.db2.gz FWLDAFDVXJYBKS-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711324 558973352 /nfs/dbraw/zinc/97/33/52/558973352.db2.gz SHENDDVUCVVADH-INIZCTEOSA-N 1 1 414.579 2.610 40 0 HFABMO COc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)nn2C)cc1 ZINC000019716158 558977760 /nfs/dbraw/zinc/97/77/60/558977760.db2.gz VGALXNALITUYNQ-UHFFFAOYSA-N 1 1 405.502 2.839 40 0 HFABMO COc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)nn2C)cc1 ZINC000019716158 558977762 /nfs/dbraw/zinc/97/77/62/558977762.db2.gz VGALXNALITUYNQ-UHFFFAOYSA-N 1 1 405.502 2.839 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)ccc1C(N)=O ZINC000257222715 558990841 /nfs/dbraw/zinc/99/08/41/558990841.db2.gz DUKURWOHCSXGNN-PMAPCBKXSA-N 1 1 420.557 2.936 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)ccc1C(N)=O ZINC000257222715 558990842 /nfs/dbraw/zinc/99/08/42/558990842.db2.gz DUKURWOHCSXGNN-PMAPCBKXSA-N 1 1 420.557 2.936 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585103117 559026390 /nfs/dbraw/zinc/02/63/90/559026390.db2.gz DJOCOVQCIHIPSQ-FQEVSTJZSA-N 1 1 415.559 2.773 40 0 HFABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104870 559027448 /nfs/dbraw/zinc/02/74/48/559027448.db2.gz UVYHPQAAEIKNSN-VAMGGRTRSA-N 1 1 416.562 2.947 40 0 HFABMO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]12 ZINC000585106082 559028456 /nfs/dbraw/zinc/02/84/56/559028456.db2.gz KCQPOCKHZOOMIG-CVEARBPZSA-N 1 1 405.901 2.542 40 0 HFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106344 559028814 /nfs/dbraw/zinc/02/88/14/559028814.db2.gz YGPKYDFJFGDSAU-MSOLQXFVSA-N 1 1 403.954 2.722 40 0 HFABMO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036428 559090145 /nfs/dbraw/zinc/09/01/45/559090145.db2.gz UGNFYXQAGZQELH-QHCPKHFHSA-N 1 1 403.542 2.609 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036428 559090146 /nfs/dbraw/zinc/09/01/46/559090146.db2.gz UGNFYXQAGZQELH-QHCPKHFHSA-N 1 1 403.542 2.609 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)c2ccco2)CC3)C1=O ZINC000096036476 559090237 /nfs/dbraw/zinc/09/02/37/559090237.db2.gz GVSKOPJUMOZWPO-DEOSSOPVSA-N 1 1 422.529 2.651 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cc(C)on1)CC3 ZINC000096143898 559096221 /nfs/dbraw/zinc/09/62/21/559096221.db2.gz OXDYMPJHSDXVTK-WMZHIEFXSA-N 1 1 414.550 2.560 40 0 HFABMO Cc1nc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccn23)cn1-c1ccccn1 ZINC000096154968 559099247 /nfs/dbraw/zinc/09/92/47/559099247.db2.gz MMUVLOSKKZNAJB-UHFFFAOYSA-N 1 1 400.486 2.883 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](CC5CC5)CCN4C)n3c2)c1 ZINC000096156620 559100598 /nfs/dbraw/zinc/10/05/98/559100598.db2.gz GUQOQIWQBNKPEC-HXUWFJFHSA-N 1 1 420.517 2.689 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2c(C)noc2C)CC3)C1=O ZINC000096262772 559106743 /nfs/dbraw/zinc/10/67/43/559106743.db2.gz FOBVOTOYNHHHFY-QHCPKHFHSA-N 1 1 416.566 2.724 40 0 HFABMO Cc1csc(Nc2ncnc3c2c(C(=O)N2CC[NH+](C)CC2)c2ccccn23)n1 ZINC000096264404 559107521 /nfs/dbraw/zinc/10/75/21/559107521.db2.gz UNTZWDBLEHAFTI-UHFFFAOYSA-N 1 1 407.503 2.779 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CC[C@@H]4[C@H](C3)CCCCN4C(C)=O)CC2)c1 ZINC000585283831 559120832 /nfs/dbraw/zinc/12/08/32/559120832.db2.gz PAPURDJVAKBPAZ-NZQKXSOJSA-N 1 1 415.578 2.749 40 0 HFABMO O[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585285903 559121695 /nfs/dbraw/zinc/12/16/95/559121695.db2.gz DRYNCPKZVQYOCL-ICSRJNTNSA-N 1 1 401.906 2.741 40 0 HFABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cc(C)cc(C)c2)cc1 ZINC000044792740 559173436 /nfs/dbraw/zinc/17/34/36/559173436.db2.gz HINKOPJAKZBMAC-UHFFFAOYSA-N 1 1 415.559 2.581 40 0 HFABMO CC(C)C(=O)Nc1ccc2c(c1)nc(C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C ZINC000138163892 559281999 /nfs/dbraw/zinc/28/19/99/559281999.db2.gz FDEULQPEKQFAPN-DLBZAZTESA-N 1 1 419.529 2.949 40 0 HFABMO Cc1cc(=O)n2c(n1)NC(=NCC[NH+]1CCCCC1)N[C@H]2c1ccc(Cl)cc1 ZINC000009289358 560757880 /nfs/dbraw/zinc/75/78/80/560757880.db2.gz ZQBMZTDFXPCXMT-GOSISDBHSA-N 1 1 400.914 2.609 40 0 HFABMO Cc1cc(=O)n2c(n1)NC(=[NH+]CCN1CCCCC1)N[C@H]2c1ccc(Cl)cc1 ZINC000009289358 560757882 /nfs/dbraw/zinc/75/78/82/560757882.db2.gz ZQBMZTDFXPCXMT-GOSISDBHSA-N 1 1 400.914 2.609 40 0 HFABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019221960 560872076 /nfs/dbraw/zinc/87/20/76/560872076.db2.gz BULHZPQNRBAIPC-OAQYLSRUSA-N 1 1 421.549 2.665 40 0 HFABMO CC(C)(C)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000218882052 568484684 /nfs/dbraw/zinc/48/46/84/568484684.db2.gz YKCOSRQDCPKYBQ-UHFFFAOYSA-N 1 1 413.356 2.964 40 0 HFABMO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033923716 568526043 /nfs/dbraw/zinc/52/60/43/568526043.db2.gz QAJZBSFVLUGAKL-PRHHBONVSA-N 1 1 405.429 2.565 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H]1O ZINC000257292163 568802222 /nfs/dbraw/zinc/80/22/22/568802222.db2.gz QKGPHOQVBCLRBO-BZUAXINKSA-N 1 1 407.396 2.923 40 0 HFABMO Cn1c(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)nc2ccccc21 ZINC000257318163 568809750 /nfs/dbraw/zinc/80/97/50/568809750.db2.gz VMSXAFGKLKWHCZ-FQEVSTJZSA-N 1 1 415.501 2.607 40 0 HFABMO Cn1c(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)nc2ccccc21 ZINC000257318163 568809751 /nfs/dbraw/zinc/80/97/51/568809751.db2.gz VMSXAFGKLKWHCZ-FQEVSTJZSA-N 1 1 415.501 2.607 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257321400 568810882 /nfs/dbraw/zinc/81/08/82/568810882.db2.gz WBMYDSXJLIWZFE-DEOSSOPVSA-N 1 1 415.578 2.884 40 0 HFABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123201 568886426 /nfs/dbraw/zinc/88/64/26/568886426.db2.gz AHEYWKHEKRHMJC-IRXDYDNUSA-N 1 1 423.496 2.751 40 0 HFABMO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306127428 568890379 /nfs/dbraw/zinc/89/03/79/568890379.db2.gz FYLZZDWVMZNSOW-UNMCSNQZSA-N 1 1 416.591 2.971 40 0 HFABMO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306127428 568890381 /nfs/dbraw/zinc/89/03/81/568890381.db2.gz FYLZZDWVMZNSOW-UNMCSNQZSA-N 1 1 416.591 2.971 40 0 HFABMO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CC[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306133114 568895346 /nfs/dbraw/zinc/89/53/46/568895346.db2.gz MCLXMTMHDRCKGG-QUCCMNQESA-N 1 1 412.509 2.744 40 0 HFABMO CS(=O)(=O)N[C@H]1CCN(Cc2cccs2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133889 568895791 /nfs/dbraw/zinc/89/57/91/568895791.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133889 568895794 /nfs/dbraw/zinc/89/57/94/568895794.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133889 568895796 /nfs/dbraw/zinc/89/57/96/568895796.db2.gz MYPBWZGBZMZKSP-LEWJYISDSA-N 1 1 419.616 2.764 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135260 568897136 /nfs/dbraw/zinc/89/71/36/568897136.db2.gz OLYVURFGGLJBQC-XMSQKQJNSA-N 1 1 407.514 2.525 40 0 HFABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135259 568897349 /nfs/dbraw/zinc/89/73/49/568897349.db2.gz OLYVURFGGLJBQC-PGRDOPGGSA-N 1 1 407.514 2.525 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306142294 568903661 /nfs/dbraw/zinc/90/36/61/568903661.db2.gz WVMSNBNZUDXNJS-UKILVPOCSA-N 1 1 414.509 2.874 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144172 568905607 /nfs/dbraw/zinc/90/56/07/568905607.db2.gz YXZUJLWGJQNHFF-LADGPHEKSA-N 1 1 407.514 2.697 40 0 HFABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144171 568905646 /nfs/dbraw/zinc/90/56/46/568905646.db2.gz YXZUJLWGJQNHFF-ISKFKSNPSA-N 1 1 407.514 2.697 40 0 HFABMO CCOC[C@]1([NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218185108 568927654 /nfs/dbraw/zinc/92/76/54/568927654.db2.gz VUQCLWYTWIYGGI-FHWLQOOXSA-N 1 1 409.891 2.742 40 0 HFABMO C[NH+](C)CCCNc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000328998661 568972055 /nfs/dbraw/zinc/97/20/55/568972055.db2.gz JUGATEDAQIXSJZ-UHFFFAOYSA-N 1 1 404.356 2.936 40 0 HFABMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198493 569058972 /nfs/dbraw/zinc/05/89/72/569058972.db2.gz APOCTQBTQNWTOI-OXADMNAJSA-N 1 1 418.541 2.887 40 0 HFABMO c1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)ccn1 ZINC000253588427 569318079 /nfs/dbraw/zinc/31/80/79/569318079.db2.gz BYXODLRNBQEJRG-QUCCMNQESA-N 1 1 409.534 2.591 40 0 HFABMO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635327 571097478 /nfs/dbraw/zinc/09/74/78/571097478.db2.gz IZYVVBMDXNJUMF-OTWHNJEPSA-N 1 1 402.564 2.594 40 0 biogenic,in-vitro HFABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823892 519902738 /nfs/dbraw/zinc/90/27/38/519902738.db2.gz ADCFWPGBLVZKSS-UHFFFAOYSA-N 1 1 416.591 2.564 40 0 HFABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000036719614 557850093 /nfs/dbraw/zinc/85/00/93/557850093.db2.gz BSYPWKCGXZDDHV-QYZOEREBSA-N 1 1 400.567 2.796 40 0 HFABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766318 558278586 /nfs/dbraw/zinc/27/85/86/558278586.db2.gz WJRRQFUUPOZHAW-SFHVURJKSA-N 1 1 407.518 2.839 40 0 HFABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019766318 558278588 /nfs/dbraw/zinc/27/85/88/558278588.db2.gz WJRRQFUUPOZHAW-SFHVURJKSA-N 1 1 407.518 2.839 40 0 HFABMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000012239237 558359818 /nfs/dbraw/zinc/35/98/18/558359818.db2.gz HAYDENNNBFXMNV-LJQANCHMSA-N 1 1 405.495 2.534 40 0 HFABMO c1cnc(Oc2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)nc1 ZINC000022913641 558520602 /nfs/dbraw/zinc/52/06/02/558520602.db2.gz XENNBTQSDDATNJ-UHFFFAOYSA-N 1 1 405.502 2.998 40 0 HFABMO c1cnc(Oc2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)nc1 ZINC000022913641 558520604 /nfs/dbraw/zinc/52/06/04/558520604.db2.gz XENNBTQSDDATNJ-UHFFFAOYSA-N 1 1 405.502 2.998 40 0 HFABMO Cc1ccc([C@@H](C)[NH+]2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)cc1 ZINC000022922424 558522639 /nfs/dbraw/zinc/52/26/39/558522639.db2.gz DWNHJVMHWYQPCF-QUCCMNQESA-N 1 1 413.591 2.931 40 0 HFABMO Cc1[nH+]ccn1CCCNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3 ZINC000019288150 558861260 /nfs/dbraw/zinc/86/12/60/558861260.db2.gz NRACWFVHUMBMEU-UHFFFAOYSA-N 1 1 406.412 2.952 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019334062 558869131 /nfs/dbraw/zinc/86/91/31/558869131.db2.gz AIBVCCVWSKQOSB-QGZVFWFLSA-N 1 1 410.493 2.583 40 0 HFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500327 558898547 /nfs/dbraw/zinc/89/85/47/558898547.db2.gz ODPQHJQJVVFFHO-KRWDZBQOSA-N 1 1 401.580 2.880 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019523626 558904893 /nfs/dbraw/zinc/90/48/93/558904893.db2.gz UYLAIDNSDXNTDF-KRWDZBQOSA-N 1 1 420.517 2.643 40 0 HFABMO CCCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)n1 ZINC000019526114 558907485 /nfs/dbraw/zinc/90/74/85/558907485.db2.gz MKTZWZGRWYIKQM-LJQANCHMSA-N 1 1 412.538 2.923 40 0 HFABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)ccc1OCCO ZINC000019550220 558914904 /nfs/dbraw/zinc/91/49/04/558914904.db2.gz CFMZQAZAZVTFFG-FXAWDEMLSA-N 1 1 410.518 2.718 40 0 HFABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)ccc1OCCO ZINC000019550220 558914906 /nfs/dbraw/zinc/91/49/06/558914906.db2.gz CFMZQAZAZVTFFG-FXAWDEMLSA-N 1 1 410.518 2.718 40 0 HFABMO Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000019552867 558916163 /nfs/dbraw/zinc/91/61/63/558916163.db2.gz KDQPXPQOCSNOED-UHFFFAOYSA-N 1 1 415.563 2.734 40 0 HFABMO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cnn1C ZINC000019553336 558916646 /nfs/dbraw/zinc/91/66/46/558916646.db2.gz LZLONDZZRWDARS-HXUWFJFHSA-N 1 1 424.549 2.892 40 0 HFABMO COc1ncc([C@@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343011 558940609 /nfs/dbraw/zinc/94/06/09/558940609.db2.gz SFHFTUGTFJFNDS-GTXQTCRKSA-N 1 1 405.445 2.892 40 0 HFABMO Cc1cc(C)n2nc(C3=CC[N@@H+](C[C@H](O)c4ccc5c(c4)OCCO5)CC3)cc2n1 ZINC000072342769 558940702 /nfs/dbraw/zinc/94/07/02/558940702.db2.gz QOLYIQIWVVGVPY-FQEVSTJZSA-N 1 1 406.486 2.940 40 0 HFABMO COCCOc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019593777 558944998 /nfs/dbraw/zinc/94/49/98/558944998.db2.gz SLJZBSMDDCYKEE-LJQANCHMSA-N 1 1 406.486 2.847 40 0 HFABMO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1Cc1ccccc1 ZINC000019595017 558945907 /nfs/dbraw/zinc/94/59/07/558945907.db2.gz FFOHACBIFXXORV-QHAWAJNXSA-N 1 1 412.530 2.575 40 0 HFABMO CN1CCN(c2cc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+](C)C)ccn2)CC1 ZINC000019654644 558947798 /nfs/dbraw/zinc/94/77/98/558947798.db2.gz DEPWIMCQXDQQBK-IBGZPJMESA-N 1 1 401.942 2.520 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCCN(Cc3ccccn3)CC2)c1 ZINC000019661193 558952305 /nfs/dbraw/zinc/95/23/05/558952305.db2.gz JEYLWPYHZJQDPV-HSZRJFAPSA-N 1 1 408.546 2.789 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708826 558971487 /nfs/dbraw/zinc/97/14/87/558971487.db2.gz NASKOXRUYHDTQO-MRXNPFEDSA-N 1 1 409.534 2.843 40 0 HFABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CCC[N@H+]4CC(=O)N(C)C)CC3)oc21 ZINC000585100529 559024029 /nfs/dbraw/zinc/02/40/29/559024029.db2.gz MHKVWVXQUFRLCM-QHCPKHFHSA-N 1 1 413.518 2.990 40 0 HFABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101793 559024797 /nfs/dbraw/zinc/02/47/97/559024797.db2.gz GUSJWGBFAIUTBG-QFIPXVFZSA-N 1 1 424.480 2.892 40 0 HFABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1ncn(-c3cccc(F)c3)n1)C2 ZINC000585101793 559024799 /nfs/dbraw/zinc/02/47/99/559024799.db2.gz GUSJWGBFAIUTBG-QFIPXVFZSA-N 1 1 424.480 2.892 40 0 HFABMO CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102008 559025200 /nfs/dbraw/zinc/02/52/00/559025200.db2.gz WGUJGYIJBOGNAS-OAQYLSRUSA-N 1 1 418.578 2.839 40 0 HFABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102579 559026331 /nfs/dbraw/zinc/02/63/31/559026331.db2.gz AGZRTZFLTDPFAB-AUSIDOKSSA-N 1 1 415.484 2.899 40 0 HFABMO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000585106266 559028718 /nfs/dbraw/zinc/02/87/18/559028718.db2.gz JRGYKJMXWFOVCP-YADHBBJMSA-N 1 1 403.526 2.848 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@H]32)c1 ZINC000585107921 559029799 /nfs/dbraw/zinc/02/97/99/559029799.db2.gz FQPNANSMZMTTCH-MGPUTAFESA-N 1 1 408.470 2.868 40 0 HFABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@H]32)c1 ZINC000585107921 559029800 /nfs/dbraw/zinc/02/98/00/559029800.db2.gz FQPNANSMZMTTCH-MGPUTAFESA-N 1 1 408.470 2.868 40 0 HFABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036472 559090262 /nfs/dbraw/zinc/09/02/62/559090262.db2.gz YDQKZLGVXNBDOL-VWLOTQADSA-N 1 1 419.573 2.813 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036472 559090264 /nfs/dbraw/zinc/09/02/64/559090264.db2.gz YDQKZLGVXNBDOL-VWLOTQADSA-N 1 1 419.573 2.813 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Cc3ccsc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144195 559096473 /nfs/dbraw/zinc/09/64/73/559096473.db2.gz XDVASLYQRCFBQW-JOCHJYFZSA-N 1 1 403.592 2.720 40 0 HFABMO COc1cccc(-c2nc3c(s2)N(CC2CC2)[C@@H](C(=O)N2CC[NH+](C)CC2)C3)c1 ZINC000096264485 559107552 /nfs/dbraw/zinc/10/75/52/559107552.db2.gz YMTWNRTUPZZVEJ-LJQANCHMSA-N 1 1 412.559 2.734 40 0 HFABMO CCOc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272070 559117807 /nfs/dbraw/zinc/11/78/07/559117807.db2.gz ITHBNRCPMXSBQL-QFIPXVFZSA-N 1 1 414.546 2.962 40 0 HFABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000585274183 559118450 /nfs/dbraw/zinc/11/84/50/559118450.db2.gz UHNKJMUCVYSAII-JOCHJYFZSA-N 1 1 414.546 2.789 40 0 HFABMO Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000585274142 559118498 /nfs/dbraw/zinc/11/84/98/559118498.db2.gz WRQBRALASULZHW-DEOSSOPVSA-N 1 1 414.546 2.578 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)ccc1C(N)=O ZINC000100658298 559137543 /nfs/dbraw/zinc/13/75/43/559137543.db2.gz DUKURWOHCSXGNN-IEGUWTFLSA-N 1 1 420.557 2.936 40 0 HFABMO Cc1nc([C@H]2CC[C@H](CNC(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)ccc1C(N)=O ZINC000100658298 559137545 /nfs/dbraw/zinc/13/75/45/559137545.db2.gz DUKURWOHCSXGNN-IEGUWTFLSA-N 1 1 420.557 2.936 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685659 568556216 /nfs/dbraw/zinc/55/62/16/568556216.db2.gz HPMQOKBURCNNPO-IBGZPJMESA-N 1 1 419.591 2.919 40 0 HFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1NC(C)=O ZINC000223852146 568560955 /nfs/dbraw/zinc/56/09/55/568560955.db2.gz ISWSOMMSVBDVCJ-UHFFFAOYSA-N 1 1 414.487 2.626 40 0 HFABMO Cc1ccc(=O)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257271092 568795938 /nfs/dbraw/zinc/79/59/38/568795938.db2.gz MWVDOLLOWGGEEL-CZLVRFMKSA-N 1 1 420.557 2.637 40 0 HFABMO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257316200 568809147 /nfs/dbraw/zinc/80/91/47/568809147.db2.gz VEOQWOAYZCDZEA-LUKWVAJMSA-N 1 1 412.505 2.905 40 0 HFABMO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257316200 568809149 /nfs/dbraw/zinc/80/91/49/568809149.db2.gz VEOQWOAYZCDZEA-LUKWVAJMSA-N 1 1 412.505 2.905 40 0 HFABMO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306127425 568890290 /nfs/dbraw/zinc/89/02/90/568890290.db2.gz FYLZZDWVMZNSOW-IFMALSPDSA-N 1 1 416.591 2.971 40 0 HFABMO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306127425 568890292 /nfs/dbraw/zinc/89/02/92/568890292.db2.gz FYLZZDWVMZNSOW-IFMALSPDSA-N 1 1 416.591 2.971 40 0 HFABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccc3Cl)C2)O1)c1cccnc1 ZINC000306127970 568890820 /nfs/dbraw/zinc/89/08/20/568890820.db2.gz GMNIBKDZYROALL-DENIHFKCSA-N 1 1 415.921 2.915 40 0 HFABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3Cl)C2)O1)c1cccnc1 ZINC000306127970 568890821 /nfs/dbraw/zinc/89/08/21/568890821.db2.gz GMNIBKDZYROALL-DENIHFKCSA-N 1 1 415.921 2.915 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4OC)C[C@H]32)cc1 ZINC000306134195 568896090 /nfs/dbraw/zinc/89/60/90/568896090.db2.gz NFOHUJQJHBBYQE-FGZHOGPDSA-N 1 1 418.497 2.982 40 0 HFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4OC)C[C@H]32)cc1 ZINC000306134195 568896093 /nfs/dbraw/zinc/89/60/93/568896093.db2.gz NFOHUJQJHBBYQE-FGZHOGPDSA-N 1 1 418.497 2.982 40 0 HFABMO COCCN1C[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306135832 568897680 /nfs/dbraw/zinc/89/76/80/568897680.db2.gz PCGLWXUBYRRTIO-JOCHJYFZSA-N 1 1 416.543 2.669 40 0 HFABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138785 568900617 /nfs/dbraw/zinc/90/06/17/568900617.db2.gz SHNJHNGWUCIZQU-NFBKMPQASA-N 1 1 410.566 2.909 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306140361 568902052 /nfs/dbraw/zinc/90/20/52/568902052.db2.gz UREIJZAJWDPYET-UXHICEINSA-N 1 1 417.513 2.521 40 0 HFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000306142047 568903446 /nfs/dbraw/zinc/90/34/46/568903446.db2.gz WNPASNWHBUJQTK-WOJBJXKFSA-N 1 1 402.454 2.693 40 0 HFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000306142047 568903447 /nfs/dbraw/zinc/90/34/47/568903447.db2.gz WNPASNWHBUJQTK-WOJBJXKFSA-N 1 1 402.454 2.693 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306142295 568903777 /nfs/dbraw/zinc/90/37/77/568903777.db2.gz WVMSNBNZUDXNJS-ZCYQVOJMSA-N 1 1 414.509 2.874 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306144046 568905461 /nfs/dbraw/zinc/90/54/61/568905461.db2.gz YUIXZJRWCDQNIP-UKILVPOCSA-N 1 1 414.509 2.874 40 0 HFABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306144431 568905828 /nfs/dbraw/zinc/90/58/28/568905828.db2.gz ZEVFRJQLQLXKDB-SFHVURJKSA-N 1 1 407.514 2.865 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306144793 568906352 /nfs/dbraw/zinc/90/63/52/568906352.db2.gz ZONKHPUOQBGCPF-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103520172 569048405 /nfs/dbraw/zinc/04/84/05/569048405.db2.gz GIOAWWPCSIQNBC-ZVVFGRKBSA-N 1 1 419.456 2.874 40 0 HFABMO C[NH+]1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 ZINC000006490424 569333066 /nfs/dbraw/zinc/33/30/66/569333066.db2.gz CHQBSSHPBRUGMB-QHCPKHFHSA-N 1 1 409.555 2.891 40 0 HFABMO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000019696223 569346731 /nfs/dbraw/zinc/34/67/31/569346731.db2.gz SOHNPMYIPTZISB-QGZVFWFLSA-N 1 1 403.548 2.972 40 0 HFABMO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000019696223 569346732 /nfs/dbraw/zinc/34/67/32/569346732.db2.gz SOHNPMYIPTZISB-QGZVFWFLSA-N 1 1 403.548 2.972 40 0 HFABMO CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000019703492 569347476 /nfs/dbraw/zinc/34/74/76/569347476.db2.gz MEDBPNQJAJVAEA-DEOSSOPVSA-N 1 1 424.545 2.675 40 0 HFABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(=O)N(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738690 569348586 /nfs/dbraw/zinc/34/85/86/569348586.db2.gz BYHFDDJTXCTVMG-JOCHJYFZSA-N 1 1 417.575 2.835 40 0 HFABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(=O)N(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738690 569348587 /nfs/dbraw/zinc/34/85/87/569348587.db2.gz BYHFDDJTXCTVMG-JOCHJYFZSA-N 1 1 417.575 2.835 40 0 HFABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C5CCCCC5)c43)C2)CC1 ZINC000020503704 575370196 /nfs/dbraw/zinc/37/01/96/575370196.db2.gz JNKHOYRPVPFPQZ-PKOBYXMFSA-N 1 1 412.578 2.880 40 0 biogenic,in-vitro HFABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)C4CCCCC4)c23)CC1 ZINC000020503704 575370202 /nfs/dbraw/zinc/37/02/02/575370202.db2.gz JNKHOYRPVPFPQZ-PKOBYXMFSA-N 1 1 412.578 2.880 40 0 biogenic,in-vitro HFABMO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)CC1 ZINC000035426322 291215266 /nfs/dbraw/zinc/21/52/66/291215266.db2.gz WBUAGFMZIDYEBJ-IBGZPJMESA-N 1 1 410.522 2.880 40 0 biogenic,in-vitro HFABMO CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880797 291217790 /nfs/dbraw/zinc/21/77/90/291217790.db2.gz LTVQDOVYMQVRDS-FKBYEOEOSA-N 1 1 412.578 2.830 40 0 biogenic,in-vitro HFABMO Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 ZINC000012330616 132358924 /nfs/dbraw/zinc/35/89/24/132358924.db2.gz VOBFEIVESOZZAK-LJQANCHMSA-N 1 1 412.534 2.925 40 0 HFABMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033685245 525589764 /nfs/dbraw/zinc/58/97/64/525589764.db2.gz GIOAWWPCSIQNBC-PLOUGOBLSA-N 1 1 419.456 2.874 40 0 HFABMO CC[NH+]1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 ZINC000408705831 557731796 /nfs/dbraw/zinc/73/17/96/557731796.db2.gz OHLUMBHDWWUNRU-UHFFFAOYSA-N 1 1 422.378 2.704 40 0 HFABMO C[NH+]1CCN(C(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000010688413 558259693 /nfs/dbraw/zinc/25/96/93/558259693.db2.gz WAELCOMXOCCYOG-UHFFFAOYSA-N 1 1 421.950 2.694 40 0 HFABMO COc1ccc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)c(F)c1 ZINC000012326469 558383250 /nfs/dbraw/zinc/38/32/50/558383250.db2.gz DCBPSHMAGULYMU-FYYLOGMGSA-N 1 1 401.526 2.909 40 0 HFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1F ZINC000012366344 558388217 /nfs/dbraw/zinc/38/82/17/558388217.db2.gz GSJOOMPEHFCUMB-AQKKSAQBSA-N 1 1 401.457 2.957 40 0 HFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1 ZINC000012366340 558388313 /nfs/dbraw/zinc/38/83/13/558388313.db2.gz XMMAXZVIXHZQIR-QIDMFYOTSA-N 1 1 401.457 2.957 40 0 HFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000022584296 558500017 /nfs/dbraw/zinc/50/00/17/558500017.db2.gz LYTYKTFMUCWBTJ-HNNXBMFYSA-N 1 1 405.543 2.711 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000038752218 558813600 /nfs/dbraw/zinc/81/36/00/558813600.db2.gz MUTQDORLMVZXLQ-UHFFFAOYSA-N 1 1 410.499 2.786 40 0 HFABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238638 558857430 /nfs/dbraw/zinc/85/74/30/558857430.db2.gz KTHWPCFVRVWUAJ-INIZCTEOSA-N 1 1 412.559 2.814 40 0 HFABMO O=c1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[nH]1 ZINC000019292611 558864512 /nfs/dbraw/zinc/86/45/12/558864512.db2.gz NGRRAISCSPATEA-ZDUSSCGKSA-N 1 1 409.317 2.903 40 0 HFABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000054672254 558868709 /nfs/dbraw/zinc/86/87/09/558868709.db2.gz ORHIRIDEXZQTEZ-INIZCTEOSA-N 1 1 407.305 2.648 40 0 HFABMO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CCCC1 ZINC000019336347 558870017 /nfs/dbraw/zinc/87/00/17/558870017.db2.gz AUYQJWDQRUSYRX-YPAWHYETSA-N 1 1 413.537 2.911 40 0 HFABMO O=C(c1ccn(C(F)F)n1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019372179 558879484 /nfs/dbraw/zinc/87/94/84/558879484.db2.gz GVZSIRARPZMDHZ-UHFFFAOYSA-N 1 1 403.477 2.701 40 0 HFABMO O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(O)CC1 ZINC000019372503 558879752 /nfs/dbraw/zinc/87/97/52/558879752.db2.gz LTQYETQTOKCDLN-FGZHOGPDSA-N 1 1 410.489 2.740 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448182 558886895 /nfs/dbraw/zinc/88/68/95/558886895.db2.gz GZXGADXPQUAABW-OAQYLSRUSA-N 1 1 423.561 2.970 40 0 HFABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 ZINC000019448415 558887314 /nfs/dbraw/zinc/88/73/14/558887314.db2.gz BTKWVCQFUOUUJY-QGZVFWFLSA-N 1 1 410.474 2.655 40 0 HFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3c(=O)n2CC1 ZINC000019448627 558887484 /nfs/dbraw/zinc/88/74/84/558887484.db2.gz JFEJFTWEVOEUAO-UHFFFAOYSA-N 1 1 408.477 2.732 40 0 HFABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000019499189 558897538 /nfs/dbraw/zinc/89/75/38/558897538.db2.gz XUROVZBMPUYMSZ-NJDAHSKKSA-N 1 1 401.526 2.865 40 0 HFABMO CCC(C)(C)NC(=O)C[NH+]1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 ZINC000019499502 558897903 /nfs/dbraw/zinc/89/79/03/558897903.db2.gz ZXHKYUZSESYXHT-UHFFFAOYSA-N 1 1 401.551 2.875 40 0 HFABMO Cc1nc2cc(-c3nccn3C)nn2c(N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1C ZINC000019555687 558918544 /nfs/dbraw/zinc/91/85/44/558918544.db2.gz JMXKPZGPGRYNHQ-LJQANCHMSA-N 1 1 423.565 2.828 40 0 HFABMO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)on1 ZINC000072334647 558935616 /nfs/dbraw/zinc/93/56/16/558935616.db2.gz BXWIJSHOBQNSTI-UHFFFAOYSA-N 1 1 421.457 2.987 40 0 HFABMO COC(=O)[C@]1(CC(=O)OC(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340258 558939101 /nfs/dbraw/zinc/93/91/01/558939101.db2.gz XMMMIIAAITZZKU-NRJQMVOHSA-N 1 1 403.475 2.502 40 0 HFABMO COC(=O)[C@]1(CC(=O)OC(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340258 558939102 /nfs/dbraw/zinc/93/91/02/558939102.db2.gz XMMMIIAAITZZKU-NRJQMVOHSA-N 1 1 403.475 2.502 40 0 HFABMO COC(=O)[C@@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340272 558939121 /nfs/dbraw/zinc/93/91/21/558939121.db2.gz CYXIUZNNVMXCHK-VWQFJMCTSA-N 1 1 424.497 2.807 40 0 HFABMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586203 558939383 /nfs/dbraw/zinc/93/93/83/558939383.db2.gz IIKWZQOORGFMIG-OAQYLSRUSA-N 1 1 422.573 2.850 40 0 HFABMO COCCOc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1 ZINC000019593682 558944789 /nfs/dbraw/zinc/94/47/89/558944789.db2.gz RGVXTXKTXFHLOO-IBGZPJMESA-N 1 1 406.486 2.847 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373098 558960867 /nfs/dbraw/zinc/96/08/67/558960867.db2.gz ROOULFYYWGUYBD-DYXWJJEUSA-N 1 1 412.578 2.940 40 0 HFABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@H+](C)C2 ZINC000019707335 558969642 /nfs/dbraw/zinc/96/96/42/558969642.db2.gz CFUXNCJWFMKXAR-INIZCTEOSA-N 1 1 421.954 2.685 40 0 HFABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@@H+](C)C2 ZINC000019707335 558969645 /nfs/dbraw/zinc/96/96/45/558969645.db2.gz CFUXNCJWFMKXAR-INIZCTEOSA-N 1 1 421.954 2.685 40 0 HFABMO CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CC[N@H+](C)C2 ZINC000019707353 558969668 /nfs/dbraw/zinc/96/96/68/558969668.db2.gz IPNWLKSAYFAMCH-HXUWFJFHSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019707353 558969671 /nfs/dbraw/zinc/96/96/71/558969671.db2.gz IPNWLKSAYFAMCH-HXUWFJFHSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@H+](C)C2 ZINC000019707435 558969919 /nfs/dbraw/zinc/96/99/19/558969919.db2.gz BVYHNLNPWNJKLK-IBGZPJMESA-N 1 1 415.563 2.649 40 0 HFABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CC[N@@H+](C)C2 ZINC000019707435 558969920 /nfs/dbraw/zinc/96/99/20/558969920.db2.gz BVYHNLNPWNJKLK-IBGZPJMESA-N 1 1 415.563 2.649 40 0 HFABMO CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710836 558972955 /nfs/dbraw/zinc/97/29/55/558972955.db2.gz AJCWNEIYLGTJFH-UHFFFAOYSA-N 1 1 423.561 2.990 40 0 HFABMO CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710836 558972957 /nfs/dbraw/zinc/97/29/57/558972957.db2.gz AJCWNEIYLGTJFH-UHFFFAOYSA-N 1 1 423.561 2.990 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103592 559025625 /nfs/dbraw/zinc/02/56/25/559025625.db2.gz HOMSOGJAMJMCIT-JOCHJYFZSA-N 1 1 408.546 2.939 40 0 HFABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2)C(C)C ZINC000585104913 559027435 /nfs/dbraw/zinc/02/74/35/559027435.db2.gz XDCVPOUXGPLYFB-FQEVSTJZSA-N 1 1 424.607 2.912 40 0 HFABMO C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccnc(N2CCOCC2)c1 ZINC000585109147 559030316 /nfs/dbraw/zinc/03/03/16/559030316.db2.gz YAONYENQMNRGBX-NYVOZVTQSA-N 1 1 406.530 2.855 40 0 HFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096056145 559093922 /nfs/dbraw/zinc/09/39/22/559093922.db2.gz KWIJBYNQBIXHCE-CVDCTZTESA-N 1 1 409.534 2.623 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccccn1)CCC2 ZINC000096056093 559094037 /nfs/dbraw/zinc/09/40/37/559094037.db2.gz ITGNKMIUCXMTNS-DVECYGJZSA-N 1 1 422.529 2.703 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)Nc1cccc(OC)c1)CC3 ZINC000096062591 559094121 /nfs/dbraw/zinc/09/41/21/559094121.db2.gz CZZDRDAVWIAQTE-WMZHIEFXSA-N 1 1 414.550 2.787 40 0 HFABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)Cc3ccc(OC)cc3)CC[C@@H]12 ZINC000096145338 559097237 /nfs/dbraw/zinc/09/72/37/559097237.db2.gz KLNFISJWFMGJQL-ZJSXRUAMSA-N 1 1 413.562 2.563 40 0 HFABMO COc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](CC5CC5)CCN4C)n3c2)cc1 ZINC000096268002 559108393 /nfs/dbraw/zinc/10/83/93/559108393.db2.gz UUCYYERMMOAHRJ-HXUWFJFHSA-N 1 1 420.517 2.689 40 0 HFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261941 559109670 /nfs/dbraw/zinc/10/96/70/559109670.db2.gz BOPFAIDIYJNHQO-QFIPXVFZSA-N 1 1 417.513 2.701 40 0 HFABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284990 559121441 /nfs/dbraw/zinc/12/14/41/559121441.db2.gz BINHKZSYHQSRIB-XMMPIXPASA-N 1 1 418.578 2.663 40 0 HFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccc(OC)c2)CC[C@@]1(C)O ZINC000514289686 560032090 /nfs/dbraw/zinc/03/20/90/560032090.db2.gz BFZZETYHBNKCAN-PCCBWWKXSA-N 1 1 404.532 2.586 40 0 biogenic,in-vitro HFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccc(OC)c2)CC[C@@]1(C)O ZINC000514289686 560032091 /nfs/dbraw/zinc/03/20/91/560032091.db2.gz BFZZETYHBNKCAN-PCCBWWKXSA-N 1 1 404.532 2.586 40 0 biogenic,in-vitro HFABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000575402645 560546757 /nfs/dbraw/zinc/54/67/57/560546757.db2.gz DQYXUVZISYLKKV-AVRDEDQJSA-N 1 1 407.514 2.525 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC000216445773 568465374 /nfs/dbraw/zinc/46/53/74/568465374.db2.gz UBOHBNUKLZNEIE-KDURUIRLSA-N 1 1 421.607 2.710 40 0 HFABMO CCN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(=O)(=O)CC ZINC000222393827 568515171 /nfs/dbraw/zinc/51/51/71/568515171.db2.gz IDEFWOPCDFTSSA-UHFFFAOYSA-N 1 1 415.559 2.821 40 0 HFABMO Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033923715 568525990 /nfs/dbraw/zinc/52/59/90/568525990.db2.gz QAJZBSFVLUGAKL-NWFVXXGESA-N 1 1 405.429 2.565 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000224261777 568575661 /nfs/dbraw/zinc/57/56/61/568575661.db2.gz JHVOHMDCGNWGOU-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000224309489 568577449 /nfs/dbraw/zinc/57/74/49/568577449.db2.gz UURCABXXZBFOII-UHFFFAOYSA-N 1 1 401.532 2.516 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225568024 568651976 /nfs/dbraw/zinc/65/19/76/568651976.db2.gz ARLJROAEGAKZIS-UHFFFAOYSA-N 1 1 424.526 2.895 40 0 HFABMO Cc1ccnc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924736 568746092 /nfs/dbraw/zinc/74/60/92/568746092.db2.gz OYTFHVVQSBUCNU-HSZRJFAPSA-N 1 1 409.534 2.692 40 0 HFABMO CNc1nc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CC[N@H+](C)C2 ZINC000257205709 568777623 /nfs/dbraw/zinc/77/76/23/568777623.db2.gz BAHULBAMMYVKRD-QGZVFWFLSA-N 1 1 418.545 2.936 40 0 HFABMO CNc1nc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CC[N@@H+](C)C2 ZINC000257205709 568777626 /nfs/dbraw/zinc/77/76/26/568777626.db2.gz BAHULBAMMYVKRD-QGZVFWFLSA-N 1 1 418.545 2.936 40 0 HFABMO CCc1nc(-c2cncnc2[C@H]2CC[N@@H+](Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234294 568786002 /nfs/dbraw/zinc/78/60/02/568786002.db2.gz GSWZACJZPSKANC-AWEZNQCLSA-N 1 1 423.473 2.858 40 0 HFABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257266096 568794495 /nfs/dbraw/zinc/79/44/95/568794495.db2.gz MBNXVEUMZJUYAO-OAHLLOKOSA-N 1 1 403.548 2.719 40 0 HFABMO c1cc2ccncc2c(C[C@H]2COCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318180 568809861 /nfs/dbraw/zinc/80/98/61/568809861.db2.gz VMUIODDEDWTGJT-LJQANCHMSA-N 1 1 419.529 2.553 40 0 HFABMO CCc1[nH]c(CN2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)c(C)[nH+]1 ZINC000306124189 568887294 /nfs/dbraw/zinc/88/72/94/568887294.db2.gz BISZMMYLYGYDQA-DYESRHJHSA-N 1 1 417.579 2.989 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306126390 568889039 /nfs/dbraw/zinc/88/90/39/568889039.db2.gz DULWYHFBIJJQIS-MSOLQXFVSA-N 1 1 403.486 2.843 40 0 HFABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306132811 568895163 /nfs/dbraw/zinc/89/51/63/568895163.db2.gz LSRCBYZWVBRSTF-LJQANCHMSA-N 1 1 409.538 2.723 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccccc4F)C[C@@H]2C3)cc1 ZINC000306137695 568899531 /nfs/dbraw/zinc/89/95/31/568899531.db2.gz RDEALECEEPJTER-IRXDYDNUSA-N 1 1 421.476 2.982 40 0 HFABMO Cc1ncsc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140988 568902722 /nfs/dbraw/zinc/90/27/22/568902722.db2.gz VIIWNZRPFCRWKK-KGLIPLIRSA-N 1 1 412.494 2.739 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306142823 568904560 /nfs/dbraw/zinc/90/45/60/568904560.db2.gz XLDHINRYTJVFGK-DLBZAZTESA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306144271 568905695 /nfs/dbraw/zinc/90/56/95/568905695.db2.gz ZAUYUNSRSGWILJ-LADGPHEKSA-N 1 1 407.514 2.697 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000248117976 569316325 /nfs/dbraw/zinc/31/63/25/569316325.db2.gz QJWVDGXNVSUGKR-ZGIUJUBFSA-N 1 1 414.550 2.962 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000006325857 569330936 /nfs/dbraw/zinc/33/09/36/569330936.db2.gz PFEBSEBHXITFRF-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219516 569344737 /nfs/dbraw/zinc/34/47/37/569344737.db2.gz UNELSAQUORBMQU-LJQANCHMSA-N 1 1 407.518 2.956 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219511 569344781 /nfs/dbraw/zinc/34/47/81/569344781.db2.gz MMYJKOGRKBDAMY-IBGZPJMESA-N 1 1 407.518 2.956 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369974 569345480 /nfs/dbraw/zinc/34/54/80/569345480.db2.gz BMZDMHVZCICRRQ-NHCUHLMSSA-N 1 1 420.557 2.775 40 0 HFABMO NC(=O)C1CC[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000019335594 132466907 /nfs/dbraw/zinc/46/69/07/132466907.db2.gz OYCWKHFIWOCIBS-UHFFFAOYSA-N 1 1 420.469 2.571 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C1 ZINC000044846233 525382603 /nfs/dbraw/zinc/38/26/03/525382603.db2.gz QEWJJMOPOPYCDC-OKILXGFUSA-N 1 1 401.960 2.809 40 0 HFABMO Cc1c(C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741355 558262104 /nfs/dbraw/zinc/26/21/04/558262104.db2.gz JFRAGZQAGPMGHD-SFHVURJKSA-N 1 1 408.550 2.896 40 0 HFABMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1F ZINC000012366359 558388282 /nfs/dbraw/zinc/38/82/82/558388282.db2.gz GMMHROXYEHBDIY-NHJWOMDBSA-N 1 1 413.493 2.827 40 0 HFABMO Cc1ccc([C@@H](C)[NH+]2CCN(CC(=O)N3CCC[C@@H](c4csnn4)C3)CC2)cc1 ZINC000022922414 558522676 /nfs/dbraw/zinc/52/26/76/558522676.db2.gz DWNHJVMHWYQPCF-UYAOXDASSA-N 1 1 413.591 2.931 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000030865293 558742444 /nfs/dbraw/zinc/74/24/44/558742444.db2.gz PPPVCAQVXJIWEU-UHFFFAOYSA-N 1 1 402.454 2.873 40 0 HFABMO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000030867290 558742742 /nfs/dbraw/zinc/74/27/42/558742742.db2.gz FZVIAAJJHNUHRE-UHFFFAOYSA-N 1 1 407.923 2.670 40 0 HFABMO Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)c1C ZINC000019235723 558854841 /nfs/dbraw/zinc/85/48/41/558854841.db2.gz GDXDCFZARLGVCO-UHFFFAOYSA-N 1 1 409.530 2.707 40 0 HFABMO Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cn1 ZINC000019290560 558862984 /nfs/dbraw/zinc/86/29/84/558862984.db2.gz ZOOHBVNFLLHWQB-HXUWFJFHSA-N 1 1 424.549 2.562 40 0 HFABMO Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)n1 ZINC000019290943 558863414 /nfs/dbraw/zinc/86/34/14/558863414.db2.gz VAOYEENCQDXJSD-LJQANCHMSA-N 1 1 410.522 2.584 40 0 HFABMO O=C(Nc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C1CC1 ZINC000019332393 558868714 /nfs/dbraw/zinc/86/87/14/558868714.db2.gz PHKLVPNWBIIHBN-NRFANRHFSA-N 1 1 423.513 2.615 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339320 558871104 /nfs/dbraw/zinc/87/11/04/558871104.db2.gz WMQKARMWVSHMOH-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339320 558871105 /nfs/dbraw/zinc/87/11/05/558871105.db2.gz WMQKARMWVSHMOH-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019343153 558872545 /nfs/dbraw/zinc/87/25/45/558872545.db2.gz LWHHCCGLNYDFID-OAHLLOKOSA-N 1 1 412.559 2.691 40 0 HFABMO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019370110 558878212 /nfs/dbraw/zinc/87/82/12/558878212.db2.gz PGPNKPYMVIHMHI-SFHVURJKSA-N 1 1 406.530 2.629 40 0 HFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450079 558888699 /nfs/dbraw/zinc/88/86/99/558888699.db2.gz DPDPWFZDPFVFGN-PMACEKPBSA-N 1 1 411.525 2.956 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019463343 558894426 /nfs/dbraw/zinc/89/44/26/558894426.db2.gz ULFOUKLGNKCACO-PTSWNOGYSA-N 1 1 410.493 2.787 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019463343 558894429 /nfs/dbraw/zinc/89/44/29/558894429.db2.gz ULFOUKLGNKCACO-PTSWNOGYSA-N 1 1 410.493 2.787 40 0 HFABMO CC[NH+](CC)CC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019526335 558907622 /nfs/dbraw/zinc/90/76/22/558907622.db2.gz KEKYNWCOWWZCAO-UHFFFAOYSA-N 1 1 415.578 2.763 40 0 HFABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550622 558915139 /nfs/dbraw/zinc/91/51/39/558915139.db2.gz QUILYHAVOQEMMI-YADARESESA-N 1 1 423.513 2.890 40 0 HFABMO COc1ccc(/C=C/C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335686 558936979 /nfs/dbraw/zinc/93/69/79/558936979.db2.gz BYOLZAXNZSWWLA-PSUYNTKASA-N 1 1 410.518 2.876 40 0 HFABMO COc1ccc(/C=C/C[N@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335686 558936981 /nfs/dbraw/zinc/93/69/81/558936981.db2.gz BYOLZAXNZSWWLA-PSUYNTKASA-N 1 1 410.518 2.876 40 0 HFABMO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019593165 558944055 /nfs/dbraw/zinc/94/40/55/558944055.db2.gz BIAOFGBEFLGQGR-SFHVURJKSA-N 1 1 416.547 2.892 40 0 HFABMO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019593165 558944057 /nfs/dbraw/zinc/94/40/57/558944057.db2.gz BIAOFGBEFLGQGR-SFHVURJKSA-N 1 1 416.547 2.892 40 0 HFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593541 558944552 /nfs/dbraw/zinc/94/45/52/558944552.db2.gz RWOOXNZGDYCWCV-QGZVFWFLSA-N 1 1 424.501 2.987 40 0 HFABMO COc1cc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)ccc1OCC(N)=O ZINC000019658722 558950680 /nfs/dbraw/zinc/95/06/80/558950680.db2.gz RQNZPSPJEZZCJC-INIZCTEOSA-N 1 1 408.502 2.890 40 0 HFABMO Cn1nccc1C[N@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370608 558957027 /nfs/dbraw/zinc/95/70/27/558957027.db2.gz FMSAUWHSIXYSEH-INIZCTEOSA-N 1 1 412.559 2.954 40 0 HFABMO CCn1cc(C[N@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c(C)n1 ZINC000072395545 558974512 /nfs/dbraw/zinc/97/45/12/558974512.db2.gz RKISNZRLHIWQDO-YADHBBJMSA-N 1 1 409.534 2.816 40 0 HFABMO CCC(=O)N[C@H]1C[N@@H+](Cc2cnn(C)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395728 558974732 /nfs/dbraw/zinc/97/47/32/558974732.db2.gz UUWBQIVCXAWAOQ-RTWAWAEBSA-N 1 1 409.534 2.723 40 0 HFABMO O=C(CN1CCOCC1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100384 559024044 /nfs/dbraw/zinc/02/40/44/559024044.db2.gz KRSNAWVJMXZRMB-JOCHJYFZSA-N 1 1 407.505 2.644 40 0 HFABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105099 559027467 /nfs/dbraw/zinc/02/74/67/559027467.db2.gz XZORPAJWEVTDTP-AZUAARDMSA-N 1 1 418.509 2.783 40 0 HFABMO COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000585105099 559027468 /nfs/dbraw/zinc/02/74/68/559027468.db2.gz XZORPAJWEVTDTP-AZUAARDMSA-N 1 1 418.509 2.783 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)cc1F ZINC000585106146 559028452 /nfs/dbraw/zinc/02/84/52/559028452.db2.gz RPLMFMAAUKVWQU-UXHICEINSA-N 1 1 413.537 2.977 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000585106270 559028668 /nfs/dbraw/zinc/02/86/68/559028668.db2.gz KGPQDSNXBICELK-MOPGFXCFSA-N 1 1 409.555 2.909 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@H]32)c1 ZINC000585107920 559029786 /nfs/dbraw/zinc/02/97/86/559029786.db2.gz FQPNANSMZMTTCH-FOIQADDNSA-N 1 1 408.470 2.868 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@H]32)c1 ZINC000585107920 559029788 /nfs/dbraw/zinc/02/97/88/559029788.db2.gz FQPNANSMZMTTCH-FOIQADDNSA-N 1 1 408.470 2.868 40 0 HFABMO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)[nH]n1 ZINC000585109171 559030287 /nfs/dbraw/zinc/03/02/87/559030287.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 1 1 404.461 2.540 40 0 HFABMO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)n[nH]1 ZINC000585109171 559030288 /nfs/dbraw/zinc/03/02/88/559030288.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 1 1 404.461 2.540 40 0 HFABMO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)n[nH]1 ZINC000585109171 559030289 /nfs/dbraw/zinc/03/02/89/559030289.db2.gz CHDVPRGLRIXNBM-YSGRDPCXSA-N 1 1 404.461 2.540 40 0 HFABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000096036474 559090329 /nfs/dbraw/zinc/09/03/29/559090329.db2.gz ZMGOZZBRTMFIGH-VWLOTQADSA-N 1 1 419.573 2.813 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000096036474 559090330 /nfs/dbraw/zinc/09/03/30/559090330.db2.gz ZMGOZZBRTMFIGH-VWLOTQADSA-N 1 1 419.573 2.813 40 0 HFABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056060 559093737 /nfs/dbraw/zinc/09/37/37/559093737.db2.gz BOAOOTGRAUQMIR-CVDCTZTESA-N 1 1 410.518 2.767 40 0 HFABMO O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000096143527 559096020 /nfs/dbraw/zinc/09/60/20/559096020.db2.gz YEOBKKCNVFSGFW-VQTJNVASSA-N 1 1 424.932 2.588 40 0 HFABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1cccs1)Cc1ccccc12 ZINC000096242497 559104076 /nfs/dbraw/zinc/10/40/76/559104076.db2.gz FXDZPVGEYRZZAV-UHFFFAOYSA-N 1 1 405.589 2.904 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](C)CCN4C(C)C)n3c2)c1 ZINC000096268076 559108413 /nfs/dbraw/zinc/10/84/13/559108413.db2.gz KRDJLYRCCOLXJZ-LJQANCHMSA-N 1 1 408.506 2.687 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@H]4C[N@@H+](C)CCN4C(C)C)n3c2)c1 ZINC000096268076 559108415 /nfs/dbraw/zinc/10/84/15/559108415.db2.gz KRDJLYRCCOLXJZ-LJQANCHMSA-N 1 1 408.506 2.687 40 0 HFABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261940 559109593 /nfs/dbraw/zinc/10/95/93/559109593.db2.gz BOPFAIDIYJNHQO-JOCHJYFZSA-N 1 1 417.513 2.701 40 0 HFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269692 559116037 /nfs/dbraw/zinc/11/60/37/559116037.db2.gz HWZMNVLVSHDNMP-QFIPXVFZSA-N 1 1 403.498 2.709 40 0 HFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282698 559120216 /nfs/dbraw/zinc/12/02/16/559120216.db2.gz NACRVPLXGFPNKQ-XMMPIXPASA-N 1 1 418.578 2.927 40 0 HFABMO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](CC5CC5)CCN4C)n3c2)cc1 ZINC000107281431 559164996 /nfs/dbraw/zinc/16/49/96/559164996.db2.gz UUCYYERMMOAHRJ-FQEVSTJZSA-N 1 1 420.517 2.689 40 0 HFABMO O[C@@]1(CN2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286167 /nfs/dbraw/zinc/28/61/67/559286167.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 1 1 413.537 2.794 40 0 HFABMO O[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCF)cc2)C1 ZINC000257310764 559286169 /nfs/dbraw/zinc/28/61/69/559286169.db2.gz UGLFTBVNKQKYPE-XMMPIXPASA-N 1 1 413.537 2.794 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@H+]3C)cc1 ZINC000575402690 560546737 /nfs/dbraw/zinc/54/67/37/560546737.db2.gz FQEZNIVAMGYZSV-IBGZPJMESA-N 1 1 415.559 2.692 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](COCc2cccnc2)CC[N@@H+]3C)cc1 ZINC000575402690 560546738 /nfs/dbraw/zinc/54/67/38/560546738.db2.gz FQEZNIVAMGYZSV-IBGZPJMESA-N 1 1 415.559 2.692 40 0 HFABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499600 560873419 /nfs/dbraw/zinc/87/34/19/560873419.db2.gz SNNXPXQVGSXKTE-HXUWFJFHSA-N 1 1 423.565 2.613 40 0 HFABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499537 560873454 /nfs/dbraw/zinc/87/34/54/560873454.db2.gz DGOKFQHZADZNKF-FQEVSTJZSA-N 1 1 423.565 2.613 40 0 HFABMO CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500667 560873683 /nfs/dbraw/zinc/87/36/83/560873683.db2.gz QAEBBJNFGPSHNT-HXUWFJFHSA-N 1 1 420.517 2.719 40 0 HFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019522948 560874535 /nfs/dbraw/zinc/87/45/35/560874535.db2.gz LXVTTZXMNRUJQO-OAQYLSRUSA-N 1 1 421.549 2.529 40 0 HFABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2C)cc1 ZINC000224209881 568573794 /nfs/dbraw/zinc/57/37/94/568573794.db2.gz BQUFZAPANSYZHQ-UHFFFAOYSA-N 1 1 401.532 2.516 40 0 HFABMO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224588580 568586495 /nfs/dbraw/zinc/58/64/95/568586495.db2.gz TUGDBIOEVIEGEG-UHFFFAOYSA-N 1 1 410.923 2.659 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225570017 568652365 /nfs/dbraw/zinc/65/23/65/568652365.db2.gz XFZCANLSSNBKBY-IBGZPJMESA-N 1 1 407.580 2.856 40 0 HFABMO C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)C[C@@H](C)O1 ZINC000253603171 568755099 /nfs/dbraw/zinc/75/50/99/568755099.db2.gz JHWLUCMKLCBTBB-GGPKGHCWSA-N 1 1 419.529 2.968 40 0 HFABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225831 568783776 /nfs/dbraw/zinc/78/37/76/568783776.db2.gz FIBLLUPFSPZSIE-IBGZPJMESA-N 1 1 424.545 2.921 40 0 HFABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000257266095 568794475 /nfs/dbraw/zinc/79/44/75/568794475.db2.gz MBNXVEUMZJUYAO-HNNXBMFYSA-N 1 1 403.548 2.719 40 0 HFABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293817 568802730 /nfs/dbraw/zinc/80/27/30/568802730.db2.gz QRHIYUWBWZWYHJ-IBGZPJMESA-N 1 1 424.545 2.759 40 0 HFABMO COCCNc1nc(C2CC[NH+](CC(=O)Nc3ccn(C)n3)CC2)cc2ccccc21 ZINC000257315883 568809088 /nfs/dbraw/zinc/80/90/88/568809088.db2.gz VDCQAUFWCWGAJC-UHFFFAOYSA-N 1 1 422.533 2.845 40 0 HFABMO O=C(C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257327821 568812492 /nfs/dbraw/zinc/81/24/92/568812492.db2.gz XCVZSCNJIQBBKW-INIZCTEOSA-N 1 1 420.469 2.732 40 0 HFABMO O=C(C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257327821 568812495 /nfs/dbraw/zinc/81/24/95/568812495.db2.gz XCVZSCNJIQBBKW-INIZCTEOSA-N 1 1 420.469 2.732 40 0 HFABMO CN1C[C@@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306123067 568886350 /nfs/dbraw/zinc/88/63/50/568886350.db2.gz ADUREHQGFKRQPF-FQEVSTJZSA-N 1 1 417.550 2.869 40 0 HFABMO CCc1[nH]c(CN2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)c(C)[nH+]1 ZINC000306124190 568887302 /nfs/dbraw/zinc/88/73/02/568887302.db2.gz BISZMMYLYGYDQA-LAUBAEHRSA-N 1 1 417.579 2.989 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306126393 568889107 /nfs/dbraw/zinc/88/91/07/568889107.db2.gz DULWYHFBIJJQIS-ZWKOTPCHSA-N 1 1 403.486 2.843 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126705 568889609 /nfs/dbraw/zinc/88/96/09/568889609.db2.gz FCTAFGHCCDETEJ-UXHICEINSA-N 1 1 417.513 2.521 40 0 HFABMO Cc1c(F)cccc1C[N@@H+]1C[C@@H]2c3nc(=O)c(C(=O)NC4CCCCC4)cn3C[C@@H]2C1 ZINC000306128140 568890879 /nfs/dbraw/zinc/89/08/79/568890879.db2.gz GRHQVUGYRHNTSR-HKUYNNGSSA-N 1 1 424.520 2.983 40 0 HFABMO c1csc(C[N@@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)c1 ZINC000306129274 568891906 /nfs/dbraw/zinc/89/19/06/568891906.db2.gz HZDVJSBGTPGVDS-MRXNPFEDSA-N 1 1 407.503 2.927 40 0 HFABMO c1csc(C[N@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)c1 ZINC000306129274 568891907 /nfs/dbraw/zinc/89/19/07/568891907.db2.gz HZDVJSBGTPGVDS-MRXNPFEDSA-N 1 1 407.503 2.927 40 0 HFABMO CN1C[C@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306129591 568892083 /nfs/dbraw/zinc/89/20/83/568892083.db2.gz IHQJFZLVBUXROI-HXUWFJFHSA-N 1 1 417.550 2.869 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306136185 568897929 /nfs/dbraw/zinc/89/79/29/568897929.db2.gz PLVQYDDXDFIEAJ-LEWJYISDSA-N 1 1 401.514 2.821 40 0 HFABMO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CC[N@@H+](CC3CC3)C2)s1 ZINC000306137593 568899636 /nfs/dbraw/zinc/89/96/36/568899636.db2.gz RASWIGDUGUQCRL-HSZRJFAPSA-N 1 1 424.570 2.569 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2nccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306138527 568900471 /nfs/dbraw/zinc/90/04/71/568900471.db2.gz RZTSBTDMWXUTBB-PGRDOPGGSA-N 1 1 422.558 2.680 40 0 HFABMO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3[N@H+]2C)cc1 ZINC000306138738 568900707 /nfs/dbraw/zinc/90/07/07/568900707.db2.gz SGDSZNHKTIAZHD-NNWRFLSQSA-N 1 1 407.514 2.546 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306142008 568903440 /nfs/dbraw/zinc/90/34/40/568903440.db2.gz WMQCXBBSUCTVOW-ROUUACIJSA-N 1 1 403.486 2.843 40 0 HFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000306142045 568903474 /nfs/dbraw/zinc/90/34/74/568903474.db2.gz WNPASNWHBUJQTK-UXHICEINSA-N 1 1 402.454 2.693 40 0 HFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000306142045 568903475 /nfs/dbraw/zinc/90/34/75/568903475.db2.gz WNPASNWHBUJQTK-UXHICEINSA-N 1 1 402.454 2.693 40 0 HFABMO CC(C)(C)CNC(=O)c1[nH]nc2c1COC[C@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306143941 568905084 /nfs/dbraw/zinc/90/50/84/568905084.db2.gz YRISHPHMVOMOGJ-JOCHJYFZSA-N 1 1 400.498 2.999 40 0 HFABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144174 568905600 /nfs/dbraw/zinc/90/56/00/568905600.db2.gz YXZUJLWGJQNHFF-VWNXMTODSA-N 1 1 407.514 2.697 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000015989721 569025327 /nfs/dbraw/zinc/02/53/27/569025327.db2.gz NHCQRBNPGXRMQS-KEXUJGGDSA-N 1 1 421.884 2.767 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000015989721 569025328 /nfs/dbraw/zinc/02/53/28/569025328.db2.gz NHCQRBNPGXRMQS-KEXUJGGDSA-N 1 1 421.884 2.767 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000247878552 569315548 /nfs/dbraw/zinc/31/55/48/569315548.db2.gz PBTAOUAWCZBFLG-CFCCAZDESA-N 1 1 405.445 2.892 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 ZINC000247887590 569315696 /nfs/dbraw/zinc/31/56/96/569315696.db2.gz SFHFTUGTFJFNDS-QKAVXHIFSA-N 1 1 405.445 2.892 40 0 HFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703412 569316908 /nfs/dbraw/zinc/31/69/08/569316908.db2.gz ZTQDARNKWLARFX-HMXCVIKNSA-N 1 1 410.562 2.605 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)CC1 ZINC000006953336 569335616 /nfs/dbraw/zinc/33/56/16/569335616.db2.gz MGEHJDXFLCITSU-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008091788 569339476 /nfs/dbraw/zinc/33/94/76/569339476.db2.gz CVMNUHVECYVFCX-UHFFFAOYSA-N 1 1 417.506 2.775 40 0 HFABMO Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NC3CCCCC3)nn2)c1 ZINC000008254444 291227500 /nfs/dbraw/zinc/22/75/00/291227500.db2.gz RWWZVIDGDOHDGO-DQLDELGASA-N 1 1 408.550 2.687 40 0 biogenic,in-vitro HFABMO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000006061899 557685502 /nfs/dbraw/zinc/68/55/02/557685502.db2.gz VHGLUIMDAKYOPJ-JOCHJYFZSA-N 1 1 413.543 2.704 40 0 HFABMO COc1cccc(C(=O)N2CC[C@H](C(=O)N3CCC(Cn4cc[nH+]c4C)CC3)C2)c1 ZINC000019750372 558270449 /nfs/dbraw/zinc/27/04/49/558270449.db2.gz LTVOVVFABKHTRZ-FQEVSTJZSA-N 1 1 410.518 2.601 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116211 558328253 /nfs/dbraw/zinc/32/82/53/558328253.db2.gz DYCYDTUAABYARK-MRXNPFEDSA-N 1 1 411.531 2.985 40 0 HFABMO Cc1ccccc1NC(=O)NC1(C(=O)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000026439991 558660735 /nfs/dbraw/zinc/66/07/35/558660735.db2.gz MUZXGJLONJCXCK-UHFFFAOYSA-N 1 1 402.539 2.658 40 0 HFABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccn[nH]2)c1 ZINC000036743738 558802456 /nfs/dbraw/zinc/80/24/56/558802456.db2.gz BXDPHQYWVFUWCF-PZJWPPBQSA-N 1 1 406.486 2.825 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NCC1CCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286132 558860398 /nfs/dbraw/zinc/86/03/98/558860398.db2.gz AGSIFKFLYKPCPO-UHFFFAOYSA-N 1 1 408.546 2.807 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NCC1CCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286132 558860400 /nfs/dbraw/zinc/86/04/00/558860400.db2.gz AGSIFKFLYKPCPO-UHFFFAOYSA-N 1 1 408.546 2.807 40 0 HFABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000019288094 558861208 /nfs/dbraw/zinc/86/12/08/558861208.db2.gz ZPIUKDYRPQRQLI-IBGZPJMESA-N 1 1 424.480 2.753 40 0 HFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3C(C)C)C2)CC1 ZINC000019287826 558861258 /nfs/dbraw/zinc/86/12/58/558861258.db2.gz SHXPCIQNDIHQSD-LJQANCHMSA-N 1 1 424.545 2.722 40 0 HFABMO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339293 558871147 /nfs/dbraw/zinc/87/11/47/558871147.db2.gz IQLXDQZMZBBSFA-RXVVDRJESA-N 1 1 419.529 2.743 40 0 HFABMO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339293 558871150 /nfs/dbraw/zinc/87/11/50/558871150.db2.gz IQLXDQZMZBBSFA-RXVVDRJESA-N 1 1 419.529 2.743 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c(=O)c2C1 ZINC000019448161 558887096 /nfs/dbraw/zinc/88/70/96/558887096.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 1 1 410.522 2.504 40 0 HFABMO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H](C)CC[NH+]3CCOCC3)cc2N1 ZINC000019451160 558889321 /nfs/dbraw/zinc/88/93/21/558889321.db2.gz JOVAPHZGAVYNQM-IJEWVQPXSA-N 1 1 417.476 2.667 40 0 HFABMO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)cc1 ZINC000019457819 558892506 /nfs/dbraw/zinc/89/25/06/558892506.db2.gz RSCBKVSEFGGVCR-CVDCTZTESA-N 1 1 419.529 2.857 40 0 HFABMO COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019495992 558894824 /nfs/dbraw/zinc/89/48/24/558894824.db2.gz XWBXVDUUAXURJC-RJYAGPCLSA-N 1 1 402.539 2.819 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CCN([C@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523639 558904881 /nfs/dbraw/zinc/90/48/81/558904881.db2.gz CDOHYJPPVHWHTL-QFIPXVFZSA-N 1 1 406.534 2.503 40 0 HFABMO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1C ZINC000019567390 558926849 /nfs/dbraw/zinc/92/68/49/558926849.db2.gz VAEDQOSKALUFCO-XKDCRVNJSA-N 1 1 413.518 2.849 40 0 HFABMO COC(=O)[C@@]1(CC(=O)OC(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340259 558939036 /nfs/dbraw/zinc/93/90/36/558939036.db2.gz XMMMIIAAITZZKU-TVTNDZMWSA-N 1 1 403.475 2.502 40 0 HFABMO COC(=O)[C@@]1(CC(=O)OC(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340259 558939039 /nfs/dbraw/zinc/93/90/39/558939039.db2.gz XMMMIIAAITZZKU-TVTNDZMWSA-N 1 1 403.475 2.502 40 0 HFABMO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355080 558952321 /nfs/dbraw/zinc/95/23/21/558952321.db2.gz XNHRSDRZRQLUPI-GOSISDBHSA-N 1 1 401.942 2.719 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355080 558952323 /nfs/dbraw/zinc/95/23/23/558952323.db2.gz XNHRSDRZRQLUPI-GOSISDBHSA-N 1 1 401.942 2.719 40 0 HFABMO O=C(C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072359380 558955004 /nfs/dbraw/zinc/95/50/04/558955004.db2.gz RYJIYMOKBDNVIP-KRWDZBQOSA-N 1 1 400.910 2.835 40 0 HFABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072359380 558955005 /nfs/dbraw/zinc/95/50/05/558955005.db2.gz RYJIYMOKBDNVIP-KRWDZBQOSA-N 1 1 400.910 2.835 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019708837 558971465 /nfs/dbraw/zinc/97/14/65/558971465.db2.gz IFWGITACCLTFAW-INIZCTEOSA-N 1 1 418.545 2.936 40 0 HFABMO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710831 558972902 /nfs/dbraw/zinc/97/29/02/558972902.db2.gz MSSKJEVLLZXKNP-QGZVFWFLSA-N 1 1 423.561 2.988 40 0 HFABMO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710831 558972903 /nfs/dbraw/zinc/97/29/03/558972903.db2.gz MSSKJEVLLZXKNP-QGZVFWFLSA-N 1 1 423.561 2.988 40 0 HFABMO O=C(CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1F)CC2)N1CCCC1 ZINC000585100858 559025474 /nfs/dbraw/zinc/02/54/74/559025474.db2.gz ZBGPJHDANPZFQX-JOCHJYFZSA-N 1 1 405.489 2.934 40 0 HFABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585104869 559027308 /nfs/dbraw/zinc/02/73/08/559027308.db2.gz UVYHPQAAEIKNSN-UFYCRDLUSA-N 1 1 416.562 2.947 40 0 HFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106004 559028314 /nfs/dbraw/zinc/02/83/14/559028314.db2.gz CJRKLMAXMVNLQR-IPELMVKDSA-N 1 1 401.526 2.833 40 0 HFABMO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)c1 ZINC000585106283 559028704 /nfs/dbraw/zinc/02/87/04/559028704.db2.gz NHKPCHNYTDGEDJ-RTWAWAEBSA-N 1 1 411.546 2.538 40 0 HFABMO Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000096037610 559091382 /nfs/dbraw/zinc/09/13/82/559091382.db2.gz NMURXGYJYDRSOM-UHFFFAOYSA-N 1 1 420.517 2.678 40 0 HFABMO CC(C)NC(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242265 559103951 /nfs/dbraw/zinc/10/39/51/559103951.db2.gz ZCWMXBWZWZIPAE-IBGZPJMESA-N 1 1 412.578 2.790 40 0 HFABMO CC(C)NC(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242266 559103983 /nfs/dbraw/zinc/10/39/83/559103983.db2.gz ZCWMXBWZWZIPAE-LJQANCHMSA-N 1 1 412.578 2.790 40 0 HFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585269691 559116018 /nfs/dbraw/zinc/11/60/18/559116018.db2.gz HWZMNVLVSHDNMP-JOCHJYFZSA-N 1 1 403.498 2.709 40 0 HFABMO Cc1cccc(OC[C@]2(O)COCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000585274143 559118476 /nfs/dbraw/zinc/11/84/76/559118476.db2.gz WRQBRALASULZHW-XMMPIXPASA-N 1 1 414.546 2.578 40 0 HFABMO Cc1ccc(Oc2ccc(C[N@H+]3[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3Cc3ccccc3)cn2)cc1 ZINC000585293850 559126857 /nfs/dbraw/zinc/12/68/57/559126857.db2.gz BAPSQXNQYYKTLA-TVYALGDOSA-N 1 1 420.509 2.692 40 0 HFABMO COc1ccc(-c2cccc(C(=O)N3CC[C@@](O)(C[NH+]4CCOCC4)C3)c2C)cc1 ZINC000585293956 559126939 /nfs/dbraw/zinc/12/69/39/559126939.db2.gz CYQLKMAXLFUOAJ-XMMPIXPASA-N 1 1 410.514 2.580 40 0 HFABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257241903 559284224 /nfs/dbraw/zinc/28/42/24/559284224.db2.gz IAEBQSOXVVMAHC-DEOSSOPVSA-N 1 1 419.529 2.914 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000575402650 560546674 /nfs/dbraw/zinc/54/66/74/560546674.db2.gz DQYXUVZISYLKKV-XMSQKQJNSA-N 1 1 407.514 2.525 40 0 HFABMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409410400 560721221 /nfs/dbraw/zinc/72/12/21/560721221.db2.gz WMKBMBPSIUTCHJ-UHFFFAOYSA-N 1 1 421.950 2.618 40 0 HFABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000019824332 560876018 /nfs/dbraw/zinc/87/60/18/560876018.db2.gz GEDLYFLTIAOLGU-UHFFFAOYSA-N 1 1 416.591 2.564 40 0 HFABMO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cccc(OC)c2OC)CC1 ZINC000020140140 560881294 /nfs/dbraw/zinc/88/12/94/560881294.db2.gz XFOAZAMIEIKYIR-GOSISDBHSA-N 1 1 402.543 2.562 40 0 HFABMO CCc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1OC ZINC000224752626 568595077 /nfs/dbraw/zinc/59/50/77/568595077.db2.gz IVMUHYOWHRUANI-UHFFFAOYSA-N 1 1 404.532 2.568 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)cc1C ZINC000020477715 568611785 /nfs/dbraw/zinc/61/17/85/568611785.db2.gz HFSYTLKIKCDFFP-AZXNSQLWSA-N 1 1 419.456 2.874 40 0 HFABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)cc1C ZINC000020477715 568611788 /nfs/dbraw/zinc/61/17/88/568611788.db2.gz HFSYTLKIKCDFFP-AZXNSQLWSA-N 1 1 419.456 2.874 40 0 HFABMO CCn1c2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2oc1=O ZINC000257284995 568800031 /nfs/dbraw/zinc/80/00/31/568800031.db2.gz PFEOIGDTOOVDSN-GPMSIDNRSA-N 1 1 421.501 2.544 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257321401 568810899 /nfs/dbraw/zinc/81/08/99/568810899.db2.gz WBMYDSXJLIWZFE-XMMPIXPASA-N 1 1 415.578 2.884 40 0 HFABMO Cc1nc([C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340056 568815985 /nfs/dbraw/zinc/81/59/85/568815985.db2.gz ZEHBOKOGOBQQLF-SFHVURJKSA-N 1 1 413.566 2.522 40 0 HFABMO Cc1nc([C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257340056 568815986 /nfs/dbraw/zinc/81/59/86/568815986.db2.gz ZEHBOKOGOBQQLF-SFHVURJKSA-N 1 1 413.566 2.522 40 0 HFABMO CC(C)n1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306123202 568886416 /nfs/dbraw/zinc/88/64/16/568886416.db2.gz AHEYWKHEKRHMJC-SJORKVTESA-N 1 1 423.496 2.751 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306124168 568887262 /nfs/dbraw/zinc/88/72/62/568887262.db2.gz BIDZOQMXHYZDLS-RTWAWAEBSA-N 1 1 401.514 2.821 40 0 HFABMO CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306125069 568887923 /nfs/dbraw/zinc/88/79/23/568887923.db2.gz CGEHQONXOYPJSU-GGAORHGYSA-N 1 1 411.477 2.656 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306135162 568897046 /nfs/dbraw/zinc/89/70/46/568897046.db2.gz OJOVYBFMMGGODG-SJORKVTESA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccccc4F)C[C@H]2C3)cc1 ZINC000306137694 568899575 /nfs/dbraw/zinc/89/95/75/568899575.db2.gz RDEALECEEPJTER-IAGOWNOFSA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1 ZINC000306140363 568902123 /nfs/dbraw/zinc/90/21/23/568902123.db2.gz UREIJZAJWDPYET-WOJBJXKFSA-N 1 1 417.513 2.521 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306140362 568902175 /nfs/dbraw/zinc/90/21/75/568902175.db2.gz UREIJZAJWDPYET-VQTJNVASSA-N 1 1 417.513 2.521 40 0 HFABMO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@@H+](Cc4ncccc4C)C3)O2)cc1 ZINC000306141333 568903060 /nfs/dbraw/zinc/90/30/60/568903060.db2.gz VSEOPQLIKLJRNL-QPPBQGQZSA-N 1 1 409.530 2.878 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306142292 568903683 /nfs/dbraw/zinc/90/36/83/568903683.db2.gz WVMSNBNZUDXNJS-ILBGXUMGSA-N 1 1 414.509 2.874 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306144047 568905318 /nfs/dbraw/zinc/90/53/18/568905318.db2.gz YUIXZJRWCDQNIP-ZCYQVOJMSA-N 1 1 414.509 2.874 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306144790 568906284 /nfs/dbraw/zinc/90/62/84/568906284.db2.gz ZONKHPUOQBGCPF-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C2(CN)C[NH3+])cc1 ZINC000218227306 568928377 /nfs/dbraw/zinc/92/83/77/568928377.db2.gz ONIUQALVLXKTAU-DLBZAZTESA-N 1 1 409.349 2.601 40 0 HFABMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)N(C)c3ccccc3)c(=O)c2C1 ZINC000049400666 569048378 /nfs/dbraw/zinc/04/83/78/569048378.db2.gz OIFDECAMVAMMDB-UHFFFAOYSA-N 1 1 402.498 2.951 40 0 HFABMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000248112001 569316167 /nfs/dbraw/zinc/31/61/67/569316167.db2.gz HRWNLWZLTCLSLP-NFBKMPQASA-N 1 1 409.578 2.918 40 0 HFABMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000248112005 569316260 /nfs/dbraw/zinc/31/62/60/569316260.db2.gz HRWNLWZLTCLSLP-NZQKXSOJSA-N 1 1 409.578 2.918 40 0 HFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592191 569318184 /nfs/dbraw/zinc/31/81/84/569318184.db2.gz UBJARVAUGANOPS-NXHRZFHOSA-N 1 1 422.529 2.721 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cnn(C)c3C)C1)O2 ZINC000012235397 569344809 /nfs/dbraw/zinc/34/48/09/569344809.db2.gz GKCXMOHFFZFBDD-FDDCHVKYSA-N 1 1 412.534 2.759 40 0 HFABMO O=C([C@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014812 569345164 /nfs/dbraw/zinc/34/51/64/569345164.db2.gz BEXGEKOKCRXIII-FXAWDEMLSA-N 1 1 414.550 2.821 40 0 HFABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000012088514 132353643 /nfs/dbraw/zinc/35/36/43/132353643.db2.gz HXKXHGYKLZHUIN-DETIRCLXSA-N 1 1 413.493 2.582 40 0 HFABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000012088514 132353644 /nfs/dbraw/zinc/35/36/44/132353644.db2.gz HXKXHGYKLZHUIN-DETIRCLXSA-N 1 1 413.493 2.582 40 0 HFABMO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)cc2c1 ZINC000012088318 132353684 /nfs/dbraw/zinc/35/36/84/132353684.db2.gz CGCLUODJORLRPM-UHFFFAOYSA-N 1 1 406.486 2.851 40 0 HFABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761931 519089145 /nfs/dbraw/zinc/08/91/45/519089145.db2.gz VFBRTXYPWAMCST-INIZCTEOSA-N 1 1 421.545 2.967 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000020481522 558375260 /nfs/dbraw/zinc/37/52/60/558375260.db2.gz BMNUAUGFGWLMEO-OKILXGFUSA-N 1 1 401.960 2.809 40 0 HFABMO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000036741253 558802058 /nfs/dbraw/zinc/80/20/58/558802058.db2.gz QZMRZCBOQXWXPO-NRFANRHFSA-N 1 1 423.561 2.658 40 0 HFABMO COc1ccc(C)cc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000036748709 558802551 /nfs/dbraw/zinc/80/25/51/558802551.db2.gz RNBMAWZXLBZPRO-BWKNWUBXSA-N 1 1 421.541 2.639 40 0 HFABMO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCOCC2)CC3)cc1 ZINC000019135324 558846135 /nfs/dbraw/zinc/84/61/35/558846135.db2.gz BPMSTOCXUYKCOU-OAQYLSRUSA-N 1 1 422.529 2.593 40 0 HFABMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019238637 558857449 /nfs/dbraw/zinc/85/74/49/558857449.db2.gz KTHWPCFVRVWUAJ-MRXNPFEDSA-N 1 1 412.559 2.814 40 0 HFABMO COc1cccc(C(=O)N2CCCC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]32)c1OC ZINC000019287261 558860868 /nfs/dbraw/zinc/86/08/68/558860868.db2.gz HJXPVZCYAWBZTM-AZUAARDMSA-N 1 1 410.518 2.929 40 0 HFABMO COc1cccc(C(=O)N2CCCC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)c1OC ZINC000019287261 558860869 /nfs/dbraw/zinc/86/08/69/558860869.db2.gz HJXPVZCYAWBZTM-AZUAARDMSA-N 1 1 410.518 2.929 40 0 HFABMO Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)n1 ZINC000019290944 558863441 /nfs/dbraw/zinc/86/34/41/558863441.db2.gz VAOYEENCQDXJSD-IBGZPJMESA-N 1 1 410.522 2.584 40 0 HFABMO O=C(c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000019372446 558879637 /nfs/dbraw/zinc/87/96/37/558879637.db2.gz YTBHFNLBCZHDOF-GOTSBHOMSA-N 1 1 406.526 2.848 40 0 HFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)NCCc4ccc(F)cc4)ccc3c(=O)n2CC1 ZINC000019448619 558887463 /nfs/dbraw/zinc/88/74/63/558887463.db2.gz FZAXBXDSTXEJAH-UHFFFAOYSA-N 1 1 422.504 2.775 40 0 HFABMO CC(C)OCC[NH+]1CCN(C(=O)CC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)CC1 ZINC000019450437 558888819 /nfs/dbraw/zinc/88/88/19/558888819.db2.gz DIKPKFQFACUQOP-QTBVYMFASA-N 1 1 415.582 2.533 40 0 HFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000019500313 558898495 /nfs/dbraw/zinc/89/84/95/558898495.db2.gz KTVNIAPHOMRKHM-GOSISDBHSA-N 1 1 404.555 2.942 40 0 HFABMO Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cnn1C ZINC000019553339 558916546 /nfs/dbraw/zinc/91/65/46/558916546.db2.gz LZLONDZZRWDARS-FQEVSTJZSA-N 1 1 424.549 2.892 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)cc1 ZINC000019555493 558918339 /nfs/dbraw/zinc/91/83/39/558918339.db2.gz LTYCBBZAWBDMNY-HXUWFJFHSA-N 1 1 408.502 2.823 40 0 HFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575188 558932559 /nfs/dbraw/zinc/93/25/59/558932559.db2.gz ZTQDARNKWLARFX-NRSPTQNISA-N 1 1 410.562 2.605 40 0 HFABMO C[N@H+]1CCCN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589194 558940095 /nfs/dbraw/zinc/94/00/95/558940095.db2.gz YTARLUKJJSLIMG-MSOLQXFVSA-N 1 1 419.982 2.539 40 0 HFABMO COC[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354512 558951855 /nfs/dbraw/zinc/95/18/55/558951855.db2.gz SMYJZHHLGHCGQF-OAQYLSRUSA-N 1 1 409.530 2.908 40 0 HFABMO COc1ccc(C2(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)CCOCC2)cc1 ZINC000019661543 558952735 /nfs/dbraw/zinc/95/27/35/558952735.db2.gz WAUHVVZXPZLSHX-UHFFFAOYSA-N 1 1 409.530 2.873 40 0 HFABMO COc1ccc(C2(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)CCOCC2)cc1 ZINC000019661543 558952737 /nfs/dbraw/zinc/95/27/37/558952737.db2.gz WAUHVVZXPZLSHX-UHFFFAOYSA-N 1 1 409.530 2.873 40 0 HFABMO CC(C)[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2)[NH+]1CCOCC1 ZINC000019661939 558952932 /nfs/dbraw/zinc/95/29/32/558952932.db2.gz OFRSXXNDHBMEHI-QGZVFWFLSA-N 1 1 416.488 2.644 40 0 HFABMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)CC1 ZINC000019688136 558957622 /nfs/dbraw/zinc/95/76/22/558957622.db2.gz ZNCDRIXBTMQQAG-JOCHJYFZSA-N 1 1 420.557 2.576 40 0 HFABMO COCCN1CCCC[C@@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000072372042 558959456 /nfs/dbraw/zinc/95/94/56/558959456.db2.gz RCQJXYNLDWDVDX-FQEVSTJZSA-N 1 1 405.514 2.751 40 0 HFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 ZINC000019710438 558972371 /nfs/dbraw/zinc/97/23/71/558972371.db2.gz ZAZIKVURMCCSLT-SFHVURJKSA-N 1 1 423.561 2.990 40 0 HFABMO C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000072399049 558976649 /nfs/dbraw/zinc/97/66/49/558976649.db2.gz GYIXNGBNPZDIMQ-ZOBUZTSGSA-N 1 1 412.559 2.752 40 0 HFABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716249 558977869 /nfs/dbraw/zinc/97/78/69/558977869.db2.gz QBIJCTVNQBTOJG-INIZCTEOSA-N 1 1 408.506 2.533 40 0 HFABMO CCn1nc([C@H](C)C(=O)N2CCC(Cn3cc[nH+]c3C)CC2)c2ccccc2c1=O ZINC000019716963 558979173 /nfs/dbraw/zinc/97/91/73/558979173.db2.gz CQIPMVDMPPTTHQ-INIZCTEOSA-N 1 1 407.518 2.964 40 0 HFABMO Cc1nc(N2CCOCC2)sc1C(=O)N1CCC(CCn2cc[nH+]c2C)CC1 ZINC000019717690 558980473 /nfs/dbraw/zinc/98/04/73/558980473.db2.gz KLPPDJGTDRMLAV-UHFFFAOYSA-N 1 1 403.552 2.736 40 0 HFABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CCC[N@H+]4CC(=O)N(C)C)CC3)oc21 ZINC000585100528 559024008 /nfs/dbraw/zinc/02/40/08/559024008.db2.gz MHKVWVXQUFRLCM-HSZRJFAPSA-N 1 1 413.518 2.990 40 0 HFABMO Cc1cncc(C[N@H+]2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)n1 ZINC000585101840 559024903 /nfs/dbraw/zinc/02/49/03/559024903.db2.gz GJNYVLHDCIKROO-GOSISDBHSA-N 1 1 408.493 2.661 40 0 HFABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)c(F)c1 ZINC000585103318 559026525 /nfs/dbraw/zinc/02/65/25/559026525.db2.gz CBOOFAVOSMRBGU-FQEVSTJZSA-N 1 1 405.495 2.542 40 0 HFABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)c(F)c1 ZINC000585103318 559026527 /nfs/dbraw/zinc/02/65/27/559026527.db2.gz CBOOFAVOSMRBGU-FQEVSTJZSA-N 1 1 405.495 2.542 40 0 HFABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1C)CC2)C(C)C ZINC000585104915 559027492 /nfs/dbraw/zinc/02/74/92/559027492.db2.gz XDCVPOUXGPLYFB-HXUWFJFHSA-N 1 1 424.607 2.912 40 0 HFABMO COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CC5CC5)C[C@@H]34)oc21 ZINC000585106037 559028247 /nfs/dbraw/zinc/02/82/47/559028247.db2.gz GQMSHHDZBANYIU-MSOLQXFVSA-N 1 1 423.513 2.504 40 0 HFABMO Cc1snnc1C(=O)N1CCO[C@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000585113122 559031021 /nfs/dbraw/zinc/03/10/21/559031021.db2.gz FDTVDIGYURSGPR-KRWDZBQOSA-N 1 1 406.471 2.770 40 0 HFABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056142 559093870 /nfs/dbraw/zinc/09/38/70/559093870.db2.gz ODLKFAAHVLJWDS-UGKGYDQZSA-N 1 1 411.575 2.783 40 0 HFABMO COCC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145868 559097672 /nfs/dbraw/zinc/09/76/72/559097672.db2.gz VBCKEOVMBUHJMK-PMACEKPBSA-N 1 1 416.543 2.749 40 0 HFABMO O=C(C[NH+]1CCC(O)(COc2cccc(Cl)c2)CC1)NCCc1ccccc1 ZINC000585273518 559117417 /nfs/dbraw/zinc/11/74/17/559117417.db2.gz PBCGAVPVFCSZPU-UHFFFAOYSA-N 1 1 402.922 2.905 40 0 HFABMO CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285021 559121420 /nfs/dbraw/zinc/12/14/20/559121420.db2.gz NDNDYLYIKCFLBM-ZCYQVOJMSA-N 1 1 410.558 2.854 40 0 HFABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(COc2ccccc2F)CC1 ZINC000257325514 559283193 /nfs/dbraw/zinc/28/31/93/559283193.db2.gz WTFSNOOUBHHYNC-QHCPKHFHSA-N 1 1 416.493 2.747 40 0 HFABMO C[N@H+](Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257281816 559285276 /nfs/dbraw/zinc/28/52/76/559285276.db2.gz ORCUFQJPQVXPEA-MRXNPFEDSA-N 1 1 423.435 2.919 40 0 HFABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141330 560881582 /nfs/dbraw/zinc/88/15/82/560881582.db2.gz QIQTYMZEKLONFB-JOCHJYFZSA-N 1 1 406.534 2.999 40 0 HFABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)ccc21 ZINC000223303683 568544630 /nfs/dbraw/zinc/54/46/30/568544630.db2.gz CPCHVDQUEIVKMN-UHFFFAOYSA-N 1 1 424.526 2.958 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)CC1 ZINC000224120822 568570752 /nfs/dbraw/zinc/57/07/52/568570752.db2.gz KCYJVHAQCHSARV-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO CN(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224433666 568581232 /nfs/dbraw/zinc/58/12/32/568581232.db2.gz HONDSLQVQJDTDF-UHFFFAOYSA-N 1 1 421.950 2.548 40 0 HFABMO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224554170 568584911 /nfs/dbraw/zinc/58/49/11/568584911.db2.gz CRPOFVDOFBDTNG-UHFFFAOYSA-N 1 1 415.493 2.949 40 0 HFABMO O=C(CN1c2cccc3cccc(c23)C1=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224719646 568593656 /nfs/dbraw/zinc/59/36/56/568593656.db2.gz POIJECZVHKGFBU-UHFFFAOYSA-N 1 1 415.493 2.949 40 0 HFABMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1C ZINC000225856331 568681207 /nfs/dbraw/zinc/68/12/07/568681207.db2.gz ORDGZZJITUKRMK-UHFFFAOYSA-N 1 1 402.516 2.508 40 0 HFABMO CNc1nc([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CC[N@H+](C)C2 ZINC000257205708 568777794 /nfs/dbraw/zinc/77/77/94/568777794.db2.gz BAHULBAMMYVKRD-KRWDZBQOSA-N 1 1 418.545 2.936 40 0 HFABMO CNc1nc([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CC[N@@H+](C)C2 ZINC000257205708 568777795 /nfs/dbraw/zinc/77/77/95/568777795.db2.gz BAHULBAMMYVKRD-KRWDZBQOSA-N 1 1 418.545 2.936 40 0 HFABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213878 568780163 /nfs/dbraw/zinc/78/01/63/568780163.db2.gz CJKZPKYOIVNJLY-OAQYLSRUSA-N 1 1 408.546 2.874 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000257227983 568784365 /nfs/dbraw/zinc/78/43/65/568784365.db2.gz FRWBVGSPCZIXPV-QFIPXVFZSA-N 1 1 411.481 2.586 40 0 HFABMO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000257227983 568784367 /nfs/dbraw/zinc/78/43/67/568784367.db2.gz FRWBVGSPCZIXPV-QFIPXVFZSA-N 1 1 411.481 2.586 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000257227983 568784368 /nfs/dbraw/zinc/78/43/68/568784368.db2.gz FRWBVGSPCZIXPV-QFIPXVFZSA-N 1 1 411.481 2.586 40 0 HFABMO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC1)O2 ZINC000257255276 568791649 /nfs/dbraw/zinc/79/16/49/568791649.db2.gz KGWCMEGBUYDLFV-NRFANRHFSA-N 1 1 409.469 2.530 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@H]1O ZINC000257307620 568806793 /nfs/dbraw/zinc/80/67/93/568806793.db2.gz SZNDSPASERMGMQ-QGPMSJSTSA-N 1 1 421.423 2.831 40 0 HFABMO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)sc2ncn(C)c(=O)c12 ZINC000257313806 568808284 /nfs/dbraw/zinc/80/82/84/568808284.db2.gz UUFKCAQJQJUHIF-TYTKBFJVSA-N 1 1 400.548 2.781 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340834 568816177 /nfs/dbraw/zinc/81/61/77/568816177.db2.gz ZHRNWACTMGBFDZ-XMMPIXPASA-N 1 1 414.521 2.736 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2nc3cc(Cl)ccc3[nH]2)[C@H]1O ZINC000257341878 568816638 /nfs/dbraw/zinc/81/66/38/568816638.db2.gz ZMHGSRCKKDSMIF-MBOZVWFJSA-N 1 1 401.898 2.877 40 0 HFABMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCOC[C@]3(CC[C@H](CNC(=O)c4ccno4)O3)C1)=CC2 ZINC000306127061 568890108 /nfs/dbraw/zinc/89/01/08/568890108.db2.gz FNJUUDAJXICDDX-YWNPBTLJSA-N 1 1 415.534 2.647 40 0 HFABMO Cc1c(F)cccc1C[N@H+]1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@H]2C1 ZINC000306128142 568890935 /nfs/dbraw/zinc/89/09/35/568890935.db2.gz GRHQVUGYRHNTSR-MJGOQNOKSA-N 1 1 424.520 2.983 40 0 HFABMO Cc1cnc(C(=O)N2CCN(C)[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)cn1 ZINC000306137453 568899424 /nfs/dbraw/zinc/89/94/24/568899424.db2.gz QWPTUORZBPXXKQ-OAQYLSRUSA-N 1 1 413.485 2.624 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)o1 ZINC000306138961 568900950 /nfs/dbraw/zinc/90/09/50/568900950.db2.gz SLTKCMBPEBTNIK-QFBILLFUSA-N 1 1 409.465 2.868 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144525 568905904 /nfs/dbraw/zinc/90/59/04/568905904.db2.gz ZHWCALRBPJPEOD-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145159 568906475 /nfs/dbraw/zinc/90/64/75/568906475.db2.gz ZZUNTUDDSAEDDY-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218185026 568927621 /nfs/dbraw/zinc/92/76/21/568927621.db2.gz VUQCLWYTWIYGGI-GBESFXJTSA-N 1 1 409.891 2.742 40 0 HFABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000248084267 569316251 /nfs/dbraw/zinc/31/62/51/569316251.db2.gz AZIGQRWIAUJEEC-PKOBYXMFSA-N 1 1 421.607 2.817 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006953346 569335651 /nfs/dbraw/zinc/33/56/51/569335651.db2.gz HHMQJSWQCNMULY-UHFFFAOYSA-N 1 1 421.950 2.699 40 0 HFABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1ccccc1C ZINC000008571358 569341815 /nfs/dbraw/zinc/34/18/15/569341815.db2.gz HDXCYLCHKCTQNS-UHFFFAOYSA-N 1 1 413.543 2.944 40 0 HFABMO Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CC[NH+](C)CC4)cc3C[C@H]2C)cc1 ZINC000010327082 569343732 /nfs/dbraw/zinc/34/37/32/569343732.db2.gz QYOAKEIWLBFZJQ-QGZVFWFLSA-N 1 1 413.543 2.523 40 0 HFABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000019496679 569345524 /nfs/dbraw/zinc/34/55/24/569345524.db2.gz BSYPWKCGXZDDHV-GUDVDZBRSA-N 1 1 400.567 2.796 40 0 HFABMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979069 569375539 /nfs/dbraw/zinc/37/55/39/569375539.db2.gz GILMSJQKSVCVIP-OAQYLSRUSA-N 1 1 423.469 2.685 40 0 HFABMO CCCC(=O)N1CCC[C@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2ccncc2)C1 ZINC000012089351 132353829 /nfs/dbraw/zinc/35/38/29/132353829.db2.gz VINJMSPEUCXIPG-IBGZPJMESA-N 1 1 408.550 2.797 40 0 HFABMO CN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12 ZINC000100202079 557267612 /nfs/dbraw/zinc/26/76/12/557267612.db2.gz INAWKYYRGFLTDR-FIXDAVPBSA-N 1 1 401.466 2.532 40 0 HFABMO Cc1[nH+]ccn1CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnc(C)cn2)CC1 ZINC000019746584 558266491 /nfs/dbraw/zinc/26/64/91/558266491.db2.gz DTWRSDWWRCZPMB-OAQYLSRUSA-N 1 1 424.549 2.614 40 0 HFABMO COc1cccc(C(=O)N2CC[C@@H](C(=O)N3CCC(Cn4cc[nH+]c4C)CC3)C2)c1 ZINC000019750370 558270302 /nfs/dbraw/zinc/27/03/02/558270302.db2.gz LTVOVVFABKHTRZ-HXUWFJFHSA-N 1 1 410.518 2.601 40 0 HFABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3cccc(C)c3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012125736 558331360 /nfs/dbraw/zinc/33/13/60/558331360.db2.gz URFCNUGLWRZGEP-RDGATRHJSA-N 1 1 421.541 2.639 40 0 HFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012220790 558355694 /nfs/dbraw/zinc/35/56/94/558355694.db2.gz CGSGYCFSGQTLED-CQSZACIVSA-N 1 1 405.458 2.605 40 0 HFABMO CC1(C)CCC[N@@H+](CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220943 558355942 /nfs/dbraw/zinc/35/59/42/558355942.db2.gz DZWWXDURLGAAIT-SFHVURJKSA-N 1 1 400.567 2.798 40 0 HFABMO O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)ccc2N1 ZINC000012362389 558387503 /nfs/dbraw/zinc/38/75/03/558387503.db2.gz HGUDBYGDSAOAAU-HXUWFJFHSA-N 1 1 417.506 2.826 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000022432160 558489495 /nfs/dbraw/zinc/48/94/95/558489495.db2.gz AMSODPDJNKVARE-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081064 558839254 /nfs/dbraw/zinc/83/92/54/558839254.db2.gz DLWBEZBZMRTNSR-KRWDZBQOSA-N 1 1 424.545 2.699 40 0 HFABMO Cc1cnc2c(C(=O)N3CC[NH+](CCCOc4cccc(C)c4C)CC3)cnn2c1 ZINC000019235727 558854845 /nfs/dbraw/zinc/85/48/45/558854845.db2.gz QJSVJXSIRTWKKR-UHFFFAOYSA-N 1 1 407.518 2.881 40 0 HFABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236385 558855570 /nfs/dbraw/zinc/85/55/70/558855570.db2.gz IVCSEYBEARXJIN-XUZZJYLKSA-N 1 1 409.530 2.790 40 0 HFABMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292010 558864332 /nfs/dbraw/zinc/86/43/32/558864332.db2.gz DKMFOTAVDJZKEB-SBHAEUEKSA-N 1 1 412.578 2.940 40 0 HFABMO O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339373 558871111 /nfs/dbraw/zinc/87/11/11/558871111.db2.gz SZEHELIMRYZZIR-SFHVURJKSA-N 1 1 421.526 2.762 40 0 HFABMO O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339373 558871113 /nfs/dbraw/zinc/87/11/13/558871113.db2.gz SZEHELIMRYZZIR-SFHVURJKSA-N 1 1 421.526 2.762 40 0 HFABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340882 558871683 /nfs/dbraw/zinc/87/16/83/558871683.db2.gz BZZPQXBSEADVJY-NRFANRHFSA-N 1 1 406.486 2.930 40 0 HFABMO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019403710 558884436 /nfs/dbraw/zinc/88/44/36/558884436.db2.gz YFZUHXYONKUMKM-HXUWFJFHSA-N 1 1 422.533 2.618 40 0 HFABMO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405333 558884686 /nfs/dbraw/zinc/88/46/86/558884686.db2.gz NBHYSUSNYOIYBI-FQEVSTJZSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405333 558884688 /nfs/dbraw/zinc/88/46/88/558884688.db2.gz NBHYSUSNYOIYBI-FQEVSTJZSA-N 1 1 407.518 2.577 40 0 HFABMO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@@H](C)CC[NH+]3CCOCC3)cc2N1 ZINC000019451158 558889300 /nfs/dbraw/zinc/88/93/00/558889300.db2.gz JOVAPHZGAVYNQM-OFQRWUPVSA-N 1 1 417.476 2.667 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5cc[nH]n5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495964 558894793 /nfs/dbraw/zinc/89/47/93/558894793.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 1 1 424.549 2.862 40 0 HFABMO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccn[nH]5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495964 558894795 /nfs/dbraw/zinc/89/47/95/558894795.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 1 1 424.549 2.862 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)c5ccn[nH]5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495964 558894796 /nfs/dbraw/zinc/89/47/96/558894796.db2.gz XVQOCILAZGJELC-CGZBRXJRSA-N 1 1 424.549 2.862 40 0 HFABMO CC[C@@H](C)C(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(c4nccs4)CC3)ccc21 ZINC000019499900 558898113 /nfs/dbraw/zinc/89/81/13/558898113.db2.gz CHHNQVSTAWXJKN-OXQOHEQNSA-N 1 1 414.575 2.934 40 0 HFABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)[nH]c(=O)c2C1 ZINC000019501591 558899762 /nfs/dbraw/zinc/89/97/62/558899762.db2.gz QRIQPYOVAFUUQF-SFHVURJKSA-N 1 1 424.545 2.843 40 0 HFABMO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019524164 558905567 /nfs/dbraw/zinc/90/55/67/558905567.db2.gz WXLNIKXCUBBGQC-LJQANCHMSA-N 1 1 424.549 2.654 40 0 HFABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549682 558914448 /nfs/dbraw/zinc/91/44/48/558914448.db2.gz ODIQBJYSFQPGKZ-QGZVFWFLSA-N 1 1 422.485 2.847 40 0 HFABMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019554946 558917931 /nfs/dbraw/zinc/91/79/31/558917931.db2.gz RSYXXHWPLMWSKP-QGZVFWFLSA-N 1 1 423.517 2.607 40 0 HFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575816 558932778 /nfs/dbraw/zinc/93/27/78/558932778.db2.gz ZTQDARNKWLARFX-TYPHKJRUSA-N 1 1 410.562 2.605 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072334590 558935608 /nfs/dbraw/zinc/93/56/08/558935608.db2.gz SJZICRDXLWDDGK-MCPYQZEQSA-N 1 1 408.424 2.892 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072334590 558935610 /nfs/dbraw/zinc/93/56/10/558935610.db2.gz SJZICRDXLWDDGK-MCPYQZEQSA-N 1 1 408.424 2.892 40 0 HFABMO CN(C)c1ncc(C(=O)N(C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)cn1 ZINC000019590868 558940980 /nfs/dbraw/zinc/94/09/80/558940980.db2.gz XKMDLKFXTXBIFK-UHFFFAOYSA-N 1 1 409.534 2.820 40 0 HFABMO COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019593140 558944082 /nfs/dbraw/zinc/94/40/82/558944082.db2.gz ORWUEPIGYHHRAL-OAHLLOKOSA-N 1 1 416.547 2.545 40 0 HFABMO COc1cc(OC)c(OC)cc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019595015 558945806 /nfs/dbraw/zinc/94/58/06/558945806.db2.gz FFOHACBIFXXORV-PCCBWWKXSA-N 1 1 412.530 2.575 40 0 HFABMO COCCN1Cc2cccc(C(=O)N3CCC(CCn4cc[nH+]c4C)CC3)c2C1=O ZINC000019656567 558949343 /nfs/dbraw/zinc/94/93/43/558949343.db2.gz BMMSDWUOEZJFDJ-UHFFFAOYSA-N 1 1 410.518 2.736 40 0 HFABMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)CC1 ZINC000019688138 558957731 /nfs/dbraw/zinc/95/77/31/558957731.db2.gz ZNCDRIXBTMQQAG-QFIPXVFZSA-N 1 1 420.557 2.576 40 0 HFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3nc(C)cc(C)n3)cn2)CC1 ZINC000072374281 558961704 /nfs/dbraw/zinc/96/17/04/558961704.db2.gz DIWYEBJIDNGSKG-QGZVFWFLSA-N 1 1 412.538 2.563 40 0 HFABMO Cc1ccnn1CCNC(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019705906 558968465 /nfs/dbraw/zinc/96/84/65/558968465.db2.gz NBXKTMJYRORNBV-FQEVSTJZSA-N 1 1 404.518 2.791 40 0 HFABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000019715354 558976334 /nfs/dbraw/zinc/97/63/34/558976334.db2.gz SRZVHWSVLLWCRB-UHFFFAOYSA-N 1 1 409.490 2.679 40 0 HFABMO CCc1cc2c(ncnc2NCC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)s1 ZINC000072399270 558976784 /nfs/dbraw/zinc/97/67/84/558976784.db2.gz DXIJJUSQXHQHRU-UHFFFAOYSA-N 1 1 410.547 2.795 40 0 HFABMO CCc1cc2c(ncnc2NCC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)s1 ZINC000072399270 558976786 /nfs/dbraw/zinc/97/67/86/558976786.db2.gz DXIJJUSQXHQHRU-UHFFFAOYSA-N 1 1 410.547 2.795 40 0 HFABMO CN(C)C(=O)C[N@H+]1CCC[C@@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100573 559024125 /nfs/dbraw/zinc/02/41/25/559024125.db2.gz OERSKNRYIZRREY-OAQYLSRUSA-N 1 1 407.942 2.654 40 0 HFABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2)N1CCCC1 ZINC000585101786 559024743 /nfs/dbraw/zinc/02/47/43/559024743.db2.gz GJZALKAEGGSWMX-JOCHJYFZSA-N 1 1 403.954 2.962 40 0 HFABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2)N1CCCC1 ZINC000585101786 559024745 /nfs/dbraw/zinc/02/47/45/559024745.db2.gz GJZALKAEGGSWMX-JOCHJYFZSA-N 1 1 403.954 2.962 40 0 HFABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105133 559027664 /nfs/dbraw/zinc/02/76/64/559027664.db2.gz ZBHZCELWADLKAR-BVSLBCMMSA-N 1 1 416.562 2.568 40 0 HFABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107473 559027947 /nfs/dbraw/zinc/02/79/47/559027947.db2.gz XAPBHRIMDFCPAQ-DEOSSOPVSA-N 1 1 401.514 2.951 40 0 HFABMO CC(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cc(C(F)(F)F)ncn4)CC3)[C@@H]2C1 ZINC000585106066 559028240 /nfs/dbraw/zinc/02/82/40/559028240.db2.gz ITPJSZSTEHLFDK-LSDHHAIUSA-N 1 1 411.472 2.558 40 0 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Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC2)N(C(=O)c2ccccc2)CCS3(=O)=O)c1 ZINC000096251614 559105582 /nfs/dbraw/zinc/10/55/82/559105582.db2.gz AYKQZQHGUTVIPE-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)N(C(=O)c2ccccc2)CCS3(=O)=O)c1 ZINC000096251614 559105584 /nfs/dbraw/zinc/10/55/84/559105584.db2.gz AYKQZQHGUTVIPE-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO Cc1nccn1C[C@@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@H+](C)C1 ZINC000585261741 559109347 /nfs/dbraw/zinc/10/93/47/559109347.db2.gz CYJNCOJUDQTCME-XMMPIXPASA-N 1 1 419.529 2.754 40 0 HFABMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272009 559117906 /nfs/dbraw/zinc/11/79/06/559117906.db2.gz IJRNUSRQNVBAGS-OAQYLSRUSA-N 1 1 400.519 2.572 40 0 HFABMO CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286091 559121857 /nfs/dbraw/zinc/12/18/57/559121857.db2.gz VLNGALQGDIYOSH-ZCYQVOJMSA-N 1 1 410.558 2.854 40 0 HFABMO 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560546710 /nfs/dbraw/zinc/54/67/10/560546710.db2.gz FQEZNIVAMGYZSV-LJQANCHMSA-N 1 1 415.559 2.692 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@H](COCc2cccnc2)CC[N@@H+]3C)cc1 ZINC000575402693 560546713 /nfs/dbraw/zinc/54/67/13/560546713.db2.gz FQEZNIVAMGYZSV-LJQANCHMSA-N 1 1 415.559 2.692 40 0 HFABMO CSc1ccc([C@H]2NC(=NCC[NH+]3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289652 560757874 /nfs/dbraw/zinc/75/78/74/560757874.db2.gz QWNFYEDQAKPKPU-IBGZPJMESA-N 1 1 412.563 2.678 40 0 HFABMO CSc1ccc([C@H]2NC(=[NH+]CCN3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289652 560757875 /nfs/dbraw/zinc/75/78/75/560757875.db2.gz QWNFYEDQAKPKPU-IBGZPJMESA-N 1 1 412.563 2.678 40 0 HFABMO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)ccc21 ZINC000223866650 568561258 /nfs/dbraw/zinc/56/12/58/568561258.db2.gz PMLXMMBYIKXYAF-UHFFFAOYSA-N 1 1 410.499 2.568 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000224384152 568579729 /nfs/dbraw/zinc/57/97/29/568579729.db2.gz PARBDQBPCPFJCR-HDICACEKSA-N 1 1 407.580 2.714 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000225482365 568641797 /nfs/dbraw/zinc/64/17/97/568641797.db2.gz CYPMXRJOAMAJCS-LJQANCHMSA-N 1 1 421.607 2.634 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000225569988 568652109 /nfs/dbraw/zinc/65/21/09/568652109.db2.gz XFZCANLSSNBKBY-LJQANCHMSA-N 1 1 407.580 2.856 40 0 HFABMO CCCn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2sc1=O ZINC000225734100 568669126 /nfs/dbraw/zinc/66/91/26/568669126.db2.gz HHMGAAAPAOGWNZ-OAHLLOKOSA-N 1 1 411.593 2.873 40 0 HFABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257223399 568782941 /nfs/dbraw/zinc/78/29/41/568782941.db2.gz DXECONHSNYFTOJ-BPJSAFFHSA-N 1 1 422.529 2.977 40 0 HFABMO CCc1nc(-c2cncnc2[C@@H]2CC[N@@H+](Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234295 568785929 /nfs/dbraw/zinc/78/59/29/568785929.db2.gz GSWZACJZPSKANC-CQSZACIVSA-N 1 1 423.473 2.858 40 0 HFABMO O=C(NCCC[NH+]1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257251140 568790691 /nfs/dbraw/zinc/79/06/91/568790691.db2.gz JPNZSUHPHAUTJE-UHFFFAOYSA-N 1 1 423.557 2.926 40 0 HFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cn(C)c3ccccc13)C2 ZINC000257280571 568798785 /nfs/dbraw/zinc/79/87/85/568798785.db2.gz OLKDLQUINRLTEZ-KRWDZBQOSA-N 1 1 418.545 2.904 40 0 HFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cn(C)c3ccccc13)C2 ZINC000257280571 568798787 /nfs/dbraw/zinc/79/87/87/568798787.db2.gz OLKDLQUINRLTEZ-KRWDZBQOSA-N 1 1 418.545 2.904 40 0 HFABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C1)CCC2 ZINC000257293818 568802726 /nfs/dbraw/zinc/80/27/26/568802726.db2.gz QRHIYUWBWZWYHJ-LJQANCHMSA-N 1 1 424.545 2.759 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257298557 568804069 /nfs/dbraw/zinc/80/40/69/568804069.db2.gz RMGBXCYZLBOUIJ-HSZRJFAPSA-N 1 1 407.518 2.837 40 0 HFABMO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000257298557 568804070 /nfs/dbraw/zinc/80/40/70/568804070.db2.gz RMGBXCYZLBOUIJ-HSZRJFAPSA-N 1 1 407.518 2.837 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000257298557 568804071 /nfs/dbraw/zinc/80/40/71/568804071.db2.gz RMGBXCYZLBOUIJ-HSZRJFAPSA-N 1 1 407.518 2.837 40 0 HFABMO CS(=O)(=O)N1CCC([N@H+]2CC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314015 568808389 /nfs/dbraw/zinc/80/83/89/568808389.db2.gz UVAUGZFHWSZAQJ-INIZCTEOSA-N 1 1 407.511 2.618 40 0 HFABMO CS(=O)(=O)N1CCC([N@H+]2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257314016 568808519 /nfs/dbraw/zinc/80/85/19/568808519.db2.gz UVAUGZFHWSZAQJ-MRXNPFEDSA-N 1 1 407.511 2.618 40 0 HFABMO COc1ncccc1C[NH+]1CCC2(CC1)CN(C)C(=O)c1cnc(C(C)(C)C)nc12 ZINC000306126938 568889749 /nfs/dbraw/zinc/88/97/49/568889749.db2.gz FJOWROITORDJTI-UHFFFAOYSA-N 1 1 409.534 2.797 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306128139 568890993 /nfs/dbraw/zinc/89/09/93/568890993.db2.gz GRFMFQVISRTWJS-GJZGRUSLSA-N 1 1 409.515 2.905 40 0 HFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccsc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132148 568894420 /nfs/dbraw/zinc/89/44/20/568894420.db2.gz LAAANIZXQPSAFX-RXVVDRJESA-N 1 1 402.564 2.990 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306135900 568897771 /nfs/dbraw/zinc/89/77/71/568897771.db2.gz PEBRGZHAEDBTTO-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4scnc4C)C[C@@H]2C3)cc1 ZINC000306138836 568900597 /nfs/dbraw/zinc/90/05/97/568900597.db2.gz SIRZFRUFOBEFLJ-GJZGRUSLSA-N 1 1 424.530 2.608 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103518389 569048439 /nfs/dbraw/zinc/04/84/39/569048439.db2.gz NHCQRBNPGXRMQS-CROMWVBPSA-N 1 1 421.884 2.767 40 0 HFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103518389 569048440 /nfs/dbraw/zinc/04/84/40/569048440.db2.gz NHCQRBNPGXRMQS-CROMWVBPSA-N 1 1 421.884 2.767 40 0 HFABMO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198831 569058985 /nfs/dbraw/zinc/05/89/85/569058985.db2.gz JOOVBUDCBFQMDE-LANGDILFSA-N 1 1 418.541 2.969 40 0 HFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703410 569316872 /nfs/dbraw/zinc/31/68/72/569316872.db2.gz ZTQDARNKWLARFX-CEWLAPEOSA-N 1 1 410.562 2.605 40 0 HFABMO CCc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000006356210 569331515 /nfs/dbraw/zinc/33/15/15/569331515.db2.gz XNGHLBQNKJOENQ-UHFFFAOYSA-N 1 1 415.559 2.608 40 0 HFABMO COc1ncc(C[N@H+]2CC[C@@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)cn1 ZINC000019708009 569348075 /nfs/dbraw/zinc/34/80/75/569348075.db2.gz FWXFCVRWUDJKBA-LJQANCHMSA-N 1 1 420.517 2.605 40 0 HFABMO C[C@H](CO)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329039164 571305145 /nfs/dbraw/zinc/30/51/45/571305145.db2.gz RWQISXTZXHOUBR-GFCCVEGCSA-N 1 1 403.324 3.472 40 0 HFABMO O=C(Nc1ccccc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298330 291229252 /nfs/dbraw/zinc/22/92/52/291229252.db2.gz MQPNCVVPGQCVFK-SXLOBPIMSA-N 1 1 409.534 2.779 40 0 biogenic,in-vitro HFABMO COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C1)CO2 ZINC000012185109 132356119 /nfs/dbraw/zinc/35/61/19/132356119.db2.gz RUQHDQIGXGCGRD-UHFFFAOYSA-N 1 1 422.529 2.849 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000225728795 525383464 /nfs/dbraw/zinc/38/34/64/525383464.db2.gz ANTFYGXCAABPRG-IYBDPMFKSA-N 1 1 412.625 2.737 40 0 HFABMO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000006062014 557685598 /nfs/dbraw/zinc/68/55/98/557685598.db2.gz VHGLUIMDAKYOPJ-QFIPXVFZSA-N 1 1 413.543 2.704 40 0 HFABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766323 558278568 /nfs/dbraw/zinc/27/85/68/558278568.db2.gz MBDIAHKIYKPBJD-HXUWFJFHSA-N 1 1 421.545 2.517 40 0 HFABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766323 558278571 /nfs/dbraw/zinc/27/85/71/558278571.db2.gz MBDIAHKIYKPBJD-HXUWFJFHSA-N 1 1 421.545 2.517 40 0 HFABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012115927 558328107 /nfs/dbraw/zinc/32/81/07/558328107.db2.gz XQNRFWQISJUAFF-CQSZACIVSA-N 1 1 409.446 2.920 40 0 HFABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012115927 558328111 /nfs/dbraw/zinc/32/81/11/558328111.db2.gz XQNRFWQISJUAFF-CQSZACIVSA-N 1 1 409.446 2.920 40 0 HFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116214 558328324 /nfs/dbraw/zinc/32/83/24/558328324.db2.gz KPXTYDFTNXKFHW-NVXWUHKLSA-N 1 1 411.531 2.977 40 0 HFABMO Cc1nn(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)c(=O)c2ccccc12 ZINC000012156472 558340459 /nfs/dbraw/zinc/34/04/59/558340459.db2.gz WKWNJQVTGPFIJO-OAQYLSRUSA-N 1 1 408.502 2.667 40 0 HFABMO Cc1nn(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)c(=O)c2ccccc12 ZINC000012156472 558340461 /nfs/dbraw/zinc/34/04/61/558340461.db2.gz WKWNJQVTGPFIJO-OAQYLSRUSA-N 1 1 408.502 2.667 40 0 HFABMO CC(C)n1c2ccc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc2oc1=O ZINC000012220626 558355664 /nfs/dbraw/zinc/35/56/64/558355664.db2.gz GAYZMRDTTMCKIS-SFHVURJKSA-N 1 1 421.494 2.896 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000022432232 558489443 /nfs/dbraw/zinc/48/94/43/558489443.db2.gz BDJWTBOPDMQJQI-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022432238 558489504 /nfs/dbraw/zinc/48/95/04/558489504.db2.gz SFAKLMDQAJOYLP-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO COc1ccccc1N1CC[NH+](C[C@H]2CN3C(=N2)c2ccccc2N(C)C3=O)CC1 ZINC000022454193 558490170 /nfs/dbraw/zinc/49/01/70/558490170.db2.gz OULFYKAESNCMFJ-KRWDZBQOSA-N 1 1 405.502 2.518 40 0 in-vitro HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000030865016 558742474 /nfs/dbraw/zinc/74/24/74/558742474.db2.gz MCVKUNNMIBSNQY-UHFFFAOYSA-N 1 1 402.454 2.873 40 0 HFABMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c2ccccc21 ZINC000036741512 558802252 /nfs/dbraw/zinc/80/22/52/558802252.db2.gz SSPBOEGFCQYBQB-HXUWFJFHSA-N 1 1 412.578 2.710 40 0 HFABMO Cc1cc(N2CCN(CC(=O)OC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc2ccccc12 ZINC000019119012 558842745 /nfs/dbraw/zinc/84/27/45/558842745.db2.gz GMGPBRISOCPNQE-YOFSQIOKSA-N 1 1 408.546 2.834 40 0 HFABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](C4CCCC4)C3)nc2C1 ZINC000019347675 558874001 /nfs/dbraw/zinc/87/40/01/558874001.db2.gz SCFVWUUVWUIXLP-HNNXBMFYSA-N 1 1 410.493 2.839 40 0 HFABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000019454427 558891243 /nfs/dbraw/zinc/89/12/43/558891243.db2.gz VOLOKHOICHZZCU-UHFFFAOYSA-N 1 1 420.535 2.828 40 0 HFABMO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000019574351 558931983 /nfs/dbraw/zinc/93/19/83/558931983.db2.gz RWMMMFQXOJOIDO-UHFFFAOYSA-N 1 1 423.517 2.607 40 0 HFABMO COc1c(C)cccc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072334367 558935277 /nfs/dbraw/zinc/93/52/77/558935277.db2.gz JNVMNOFQAZLPPY-BWKNWUBXSA-N 1 1 421.541 2.639 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc4ccccc4c2)C3)C[C@@H](C)O1 ZINC000072335477 558936699 /nfs/dbraw/zinc/93/66/99/558936699.db2.gz PNGMCJXHKOZMIH-HZPDHXFCSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc4ccccc4c2)C3)C[C@@H](C)O1 ZINC000072335477 558936700 /nfs/dbraw/zinc/93/67/00/558936700.db2.gz PNGMCJXHKOZMIH-HZPDHXFCSA-N 1 1 405.502 2.902 40 0 HFABMO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000072339861 558938624 /nfs/dbraw/zinc/93/86/24/558938624.db2.gz DDVVONJUVNBYLR-UHFFFAOYSA-N 1 1 407.474 2.924 40 0 HFABMO COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019590237 558940806 /nfs/dbraw/zinc/94/08/06/558940806.db2.gz YKGTUVIVSCFHIL-QGZVFWFLSA-N 1 1 410.518 2.518 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCOc3ccccc3C)C2)nc2c1CC[N@H+](C)C2 ZINC000072376530 558965887 /nfs/dbraw/zinc/96/58/87/558965887.db2.gz FVRNGSZLDJTEQS-SFHVURJKSA-N 1 1 423.561 2.990 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCOc3ccccc3C)C2)nc2c1CC[N@@H+](C)C2 ZINC000072376530 558965888 /nfs/dbraw/zinc/96/58/88/558965888.db2.gz FVRNGSZLDJTEQS-SFHVURJKSA-N 1 1 423.561 2.990 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCOc3ccccc3C)C2)nc2c1CC[N@H+](C)C2 ZINC000072376531 558965911 /nfs/dbraw/zinc/96/59/11/558965911.db2.gz FVRNGSZLDJTEQS-GOSISDBHSA-N 1 1 423.561 2.990 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCOc3ccccc3C)C2)nc2c1CC[N@@H+](C)C2 ZINC000072376531 558965916 /nfs/dbraw/zinc/96/59/16/558965916.db2.gz FVRNGSZLDJTEQS-GOSISDBHSA-N 1 1 423.561 2.990 40 0 HFABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 ZINC000019706694 558969056 /nfs/dbraw/zinc/96/90/56/558969056.db2.gz UBZMQUVNVDHYNR-INIZCTEOSA-N 1 1 410.566 2.969 40 0 HFABMO CNc1nc([C@@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CC[N@H+](C)C2 ZINC000019707406 558969713 /nfs/dbraw/zinc/96/97/13/558969713.db2.gz FZMVEEIJQBWVAJ-IBGZPJMESA-N 1 1 409.534 2.947 40 0 HFABMO CNc1nc([C@@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CC[N@@H+](C)C2 ZINC000019707406 558969715 /nfs/dbraw/zinc/96/97/15/558969715.db2.gz FZMVEEIJQBWVAJ-IBGZPJMESA-N 1 1 409.534 2.947 40 0 HFABMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708113 558970224 /nfs/dbraw/zinc/97/02/24/558970224.db2.gz STJYGCZQHAGKIO-FQEVSTJZSA-N 1 1 421.545 2.711 40 0 HFABMO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100581 559024194 /nfs/dbraw/zinc/02/41/94/559024194.db2.gz OONXNDGRTWNKIA-QFIPXVFZSA-N 1 1 404.576 2.567 40 0 HFABMO C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccnc(N2CCOCC2)c1 ZINC000585109145 559030307 /nfs/dbraw/zinc/03/03/07/559030307.db2.gz YAONYENQMNRGBX-COPCDDAFSA-N 1 1 406.530 2.855 40 0 HFABMO O=C1NCC[C@@]12C[N@@H+](Cc1cccnc1)CC21CCN(Cc2ccc(F)cc2)CC1 ZINC000096036342 559090054 /nfs/dbraw/zinc/09/00/54/559090054.db2.gz SEFMEJIIWYCRFQ-XMMPIXPASA-N 1 1 408.521 2.825 40 0 HFABMO O=C1NCC[C@@]12C[N@H+](Cc1cccnc1)CC21CCN(Cc2ccc(F)cc2)CC1 ZINC000096036342 559090056 /nfs/dbraw/zinc/09/00/56/559090056.db2.gz SEFMEJIIWYCRFQ-XMMPIXPASA-N 1 1 408.521 2.825 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccnc1)CCC2 ZINC000096056090 559093865 /nfs/dbraw/zinc/09/38/65/559093865.db2.gz KJIOWTUWRIZUPP-YKSBVNFPSA-N 1 1 422.529 2.703 40 0 HFABMO COc1ccc(CCN2C[C@H]3CC[N@@H+](Cc4cccnc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145516 559097395 /nfs/dbraw/zinc/09/73/95/559097395.db2.gz OOESAKMOVLCGPO-IFMALSPDSA-N 1 1 415.559 2.559 40 0 HFABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096262303 559106405 /nfs/dbraw/zinc/10/64/05/559106405.db2.gz AEDGLIQOUAYPGD-FCHUYYIVSA-N 1 1 418.541 2.667 40 0 HFABMO COc1cccc(NC(=O)N2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@@H+](C)C[C@@H]34)CC2)c1 ZINC000096262424 559106497 /nfs/dbraw/zinc/10/64/97/559106497.db2.gz BHZSILJPWBSUKH-WMZHIEFXSA-N 1 1 414.550 2.739 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@]4(C)[C@@H]3CCCC(=O)N4C)CC2)c1 ZINC000585262972 559111609 /nfs/dbraw/zinc/11/16/09/559111609.db2.gz SAUPCVOCNZXPBE-GMAHTHKFSA-N 1 1 415.578 2.892 40 0 HFABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585284988 559121496 /nfs/dbraw/zinc/12/14/96/559121496.db2.gz BINHKZSYHQSRIB-DEOSSOPVSA-N 1 1 418.578 2.663 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cccc4cccnc43)CC2)[C@]2(CCNC2=O)C1 ZINC000101847323 559148096 /nfs/dbraw/zinc/14/80/96/559148096.db2.gz GMFHBLJLPSNQRW-RUZDIDTESA-N 1 1 420.557 2.935 40 0 HFABMO Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000113963570 559184117 /nfs/dbraw/zinc/18/41/17/559184117.db2.gz UZXYSVJAWOHAPY-UHFFFAOYSA-N 1 1 415.559 2.657 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cnn(C)c4)ccc2C(=O)N3C)c1 ZINC000514289343 560032976 /nfs/dbraw/zinc/03/29/76/560032976.db2.gz IRNJZNYICQIEQW-GGAORHGYSA-N 1 1 418.497 2.813 40 0 biogenic,in-vitro HFABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4cnn(C)c4)ccc2C(=O)N3C)c1 ZINC000514289343 560032977 /nfs/dbraw/zinc/03/29/77/560032977.db2.gz IRNJZNYICQIEQW-GGAORHGYSA-N 1 1 418.497 2.813 40 0 biogenic,in-vitro HFABMO COc1ccccc1N(C[C@H](O)Cn1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000904885 560544961 /nfs/dbraw/zinc/54/49/61/560544961.db2.gz BCJNZDZZJMAFQQ-GOSISDBHSA-N 1 1 415.515 2.765 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000575402648 560546693 /nfs/dbraw/zinc/54/66/93/560546693.db2.gz DQYXUVZISYLKKV-GCJKJVERSA-N 1 1 407.514 2.525 40 0 HFABMO CSc1ccc([C@@H]2NC(=NCC[NH+]3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289658 560757865 /nfs/dbraw/zinc/75/78/65/560757865.db2.gz QWNFYEDQAKPKPU-LJQANCHMSA-N 1 1 412.563 2.678 40 0 HFABMO CSc1ccc([C@@H]2NC(=[NH+]CCN3CCCCC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289658 560757866 /nfs/dbraw/zinc/75/78/66/560757866.db2.gz QWNFYEDQAKPKPU-LJQANCHMSA-N 1 1 412.563 2.678 40 0 HFABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019221957 560872130 /nfs/dbraw/zinc/87/21/30/560872130.db2.gz BULHZPQNRBAIPC-NRFANRHFSA-N 1 1 421.549 2.665 40 0 HFABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568077 560874303 /nfs/dbraw/zinc/87/43/03/560874303.db2.gz BMMPWZUMTUUCDD-OAQYLSRUSA-N 1 1 421.549 2.583 40 0 HFABMO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022874212 560891134 /nfs/dbraw/zinc/89/11/34/560891134.db2.gz VTAIZNMVHLWARG-QGZVFWFLSA-N 1 1 404.894 2.626 40 0 HFABMO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000033372916 568514337 /nfs/dbraw/zinc/51/43/37/568514337.db2.gz DANMZDFCDJOVND-FLFXDLLNSA-N 1 1 401.466 2.735 40 0 HFABMO CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026439187 568548785 /nfs/dbraw/zinc/54/87/85/568548785.db2.gz RMUVHNOZEDTUAM-UHFFFAOYSA-N 1 1 408.502 2.501 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)CC1 ZINC000224136884 568571197 /nfs/dbraw/zinc/57/11/97/568571197.db2.gz VQQSTBLZKQDXLP-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000224334493 568578293 /nfs/dbraw/zinc/57/82/93/568578293.db2.gz DYAYDKBBEDKGDI-UHFFFAOYSA-N 1 1 421.950 2.943 40 0 HFABMO CCCn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2sc1=O ZINC000260801593 568740294 /nfs/dbraw/zinc/74/02/94/568740294.db2.gz HHMGAAAPAOGWNZ-HNNXBMFYSA-N 1 1 411.593 2.873 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3n2C)[C@H]1O ZINC000257253948 568791418 /nfs/dbraw/zinc/79/14/18/568791418.db2.gz KAZCJWTWLZSHPY-WIBUTAKZSA-N 1 1 401.898 2.545 40 0 HFABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272127 568796121 /nfs/dbraw/zinc/79/61/21/568796121.db2.gz NBESLVYGJWBEHV-NRFANRHFSA-N 1 1 408.546 2.793 40 0 HFABMO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1 ZINC000257312845 568807870 /nfs/dbraw/zinc/80/78/70/568807870.db2.gz UPUKOKHOSNRRHP-UHFFFAOYSA-N 1 1 407.580 2.850 40 0 HFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306123029 568886137 /nfs/dbraw/zinc/88/61/37/568886137.db2.gz ACVHDKCSEFGEAC-IBGZPJMESA-N 1 1 407.561 2.888 40 0 HFABMO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306123029 568886138 /nfs/dbraw/zinc/88/61/38/568886138.db2.gz ACVHDKCSEFGEAC-IBGZPJMESA-N 1 1 407.561 2.888 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306125481 568888392 /nfs/dbraw/zinc/88/83/92/568888392.db2.gz CSFQLXMSXQGMIU-RBUKOAKNSA-N 1 1 405.477 2.652 40 0 HFABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306127326 568889955 /nfs/dbraw/zinc/88/99/55/568889955.db2.gz FVSMCYSPJBBRCU-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306129033 568891656 /nfs/dbraw/zinc/89/16/56/568891656.db2.gz HRXMZVZVIGNGHZ-QHCPKHFHSA-N 1 1 402.454 2.581 40 0 HFABMO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21 ZINC000306130006 568892362 /nfs/dbraw/zinc/89/23/62/568892362.db2.gz ITXXCIRELWDURS-AEFFLSMTSA-N 1 1 405.564 2.743 40 0 HFABMO CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2C[N@@H+](C3CCCC3)C[C@@H]21 ZINC000306130009 568892378 /nfs/dbraw/zinc/89/23/78/568892378.db2.gz ITXXCIRELWDURS-WMZOPIPTSA-N 1 1 405.564 2.743 40 0 HFABMO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CC[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306133112 568895331 /nfs/dbraw/zinc/89/53/31/568895331.db2.gz MCLXMTMHDRCKGG-AZUAARDMSA-N 1 1 412.509 2.744 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 ZINC000306142009 568903479 /nfs/dbraw/zinc/90/34/79/568903479.db2.gz WMQCXBBSUCTVOW-ZWKOTPCHSA-N 1 1 403.486 2.843 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccoc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306144520 568905875 /nfs/dbraw/zinc/90/58/75/568905875.db2.gz ZHQGQEMWNUGERY-NZQKXSOJSA-N 1 1 405.502 2.817 40 0 HFABMO CCOC[C@]1([NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242688602 568969296 /nfs/dbraw/zinc/96/92/96/568969296.db2.gz VUQCLWYTWIYGGI-OTWHNJEPSA-N 1 1 409.891 2.742 40 0 HFABMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198495 569058996 /nfs/dbraw/zinc/05/89/96/569058996.db2.gz APOCTQBTQNWTOI-SRWPTAKMSA-N 1 1 418.541 2.887 40 0 HFABMO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@H+]3CCC[C@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595471 569318356 /nfs/dbraw/zinc/31/83/56/569318356.db2.gz FAOJJDMFNZOAEQ-JCJMJZECSA-N 1 1 408.546 2.671 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000012219510 569344794 /nfs/dbraw/zinc/34/47/94/569344794.db2.gz MMYJKOGRKBDAMY-LJQANCHMSA-N 1 1 407.518 2.956 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369965 569345393 /nfs/dbraw/zinc/34/53/93/569345393.db2.gz OJNQMSQXNKPZBC-NHCUHLMSSA-N 1 1 420.557 2.775 40 0 HFABMO Fc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000022863279 569349824 /nfs/dbraw/zinc/34/98/24/569349824.db2.gz ZCBOEVSHBCJLLB-VXKWHMMOSA-N 1 1 406.509 2.924 40 0 HFABMO CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000107943004 569353181 /nfs/dbraw/zinc/35/31/81/569353181.db2.gz UGBCEGISSVAKEF-UHFFFAOYSA-N 1 1 415.559 2.893 40 0 HFABMO COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)[N@H+](C)CC[C@]315)OCCO4 ZINC000096316250 291222945 /nfs/dbraw/zinc/22/29/45/291222945.db2.gz ZABOYUCAGYOXEK-BXOLDHOESA-N 1 1 422.319 2.870 40 0 biogenic,in-vitro HFABMO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1 ZINC000096269131 291225182 /nfs/dbraw/zinc/22/51/82/291225182.db2.gz RDOCSEUQRJBVIP-OAQYLSRUSA-N 1 1 408.502 2.776 40 0 biogenic,in-vitro HFABMO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1 ZINC000096269131 291225183 /nfs/dbraw/zinc/22/51/83/291225183.db2.gz RDOCSEUQRJBVIP-OAQYLSRUSA-N 1 1 408.502 2.776 40 0 biogenic,in-vitro HFABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 ZINC000253403136 291226497 /nfs/dbraw/zinc/22/64/97/291226497.db2.gz PJDSVYAADDKKCK-GGAORHGYSA-N 1 1 412.509 2.611 40 0 biogenic,in-vitro HFABMO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)cc1 ZINC000035442481 291227010 /nfs/dbraw/zinc/22/70/10/291227010.db2.gz XNRWCKWYMGDFDL-ZDXQCDESSA-N 1 1 420.557 2.787 40 0 biogenic,in-vitro HFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 ZINC000035442481 291227011 /nfs/dbraw/zinc/22/70/11/291227011.db2.gz XNRWCKWYMGDFDL-ZDXQCDESSA-N 1 1 420.557 2.787 40 0 biogenic,in-vitro HFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 ZINC000035442481 291227012 /nfs/dbraw/zinc/22/70/12/291227012.db2.gz XNRWCKWYMGDFDL-ZDXQCDESSA-N 1 1 420.557 2.787 40 0 biogenic,in-vitro HFABMO Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000032609558 525947527 /nfs/dbraw/zinc/94/75/27/525947527.db2.gz OWPCESXOMSUBKQ-PTGBLXJZSA-N 1 1 421.541 2.913 40 0 HFABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc4c(N)nc(C)nc4n3)C2)cc1 ZINC000019743310 558263783 /nfs/dbraw/zinc/26/37/83/558263783.db2.gz GCRWJCFWDAZNKP-HNNXBMFYSA-N 1 1 406.490 2.742 40 0 HFABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc4c(N)nc(C)nc4n3)C2)cc1 ZINC000019743310 558263785 /nfs/dbraw/zinc/26/37/85/558263785.db2.gz GCRWJCFWDAZNKP-HNNXBMFYSA-N 1 1 406.490 2.742 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)C1 ZINC000012235894 558358810 /nfs/dbraw/zinc/35/88/10/558358810.db2.gz WXEGXCOVYOMXLN-HDICACEKSA-N 1 1 400.567 2.654 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000013682428 558567553 /nfs/dbraw/zinc/56/75/53/558567553.db2.gz YOODKOLWKUBIHY-UHFFFAOYSA-N 1 1 419.522 2.570 40 0 HFABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944347 558746160 /nfs/dbraw/zinc/74/61/60/558746160.db2.gz WYZQNEFREOANCI-MRXNPFEDSA-N 1 1 400.350 2.654 40 0 HFABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000030944347 558746161 /nfs/dbraw/zinc/74/61/61/558746161.db2.gz WYZQNEFREOANCI-MRXNPFEDSA-N 1 1 400.350 2.654 40 0 HFABMO O=C(NCCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944360 558746207 /nfs/dbraw/zinc/74/62/07/558746207.db2.gz XTVXOGBIKAPLSI-HNNXBMFYSA-N 1 1 400.350 2.654 40 0 HFABMO O=C(NCCN1CCOCC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944360 558746208 /nfs/dbraw/zinc/74/62/08/558746208.db2.gz XTVXOGBIKAPLSI-HNNXBMFYSA-N 1 1 400.350 2.654 40 0 HFABMO CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019085540 558841265 /nfs/dbraw/zinc/84/12/65/558841265.db2.gz UKWYNURFYBUWIP-HNNXBMFYSA-N 1 1 400.548 2.752 40 0 HFABMO Cn1ccnc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019291513 558863831 /nfs/dbraw/zinc/86/38/31/558863831.db2.gz QZMBDJRPLADFSZ-NHCUHLMSSA-N 1 1 420.488 2.807 40 0 HFABMO Clc1nnc2c(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)c[nH]cc1-2 ZINC000019338618 558870857 /nfs/dbraw/zinc/87/08/57/558870857.db2.gz ICPXLKXOBKTMLB-UHFFFAOYSA-N 1 1 400.914 2.731 40 0 HFABMO O=C(C1CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343596 558872528 /nfs/dbraw/zinc/87/25/28/558872528.db2.gz QHQZHQZGVRGQGY-INIZCTEOSA-N 1 1 412.559 2.896 40 0 HFABMO O=C(c1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019347449 558873786 /nfs/dbraw/zinc/87/37/86/558873786.db2.gz CXYWMOJEWXUCLT-HNNXBMFYSA-N 1 1 410.493 2.839 40 0 HFABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000055986008 558884603 /nfs/dbraw/zinc/88/46/03/558884603.db2.gz ZCBQRMFNLCZQTG-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405336 558884670 /nfs/dbraw/zinc/88/46/70/558884670.db2.gz NBHYSUSNYOIYBI-HXUWFJFHSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405336 558884672 /nfs/dbraw/zinc/88/46/72/558884672.db2.gz NBHYSUSNYOIYBI-HXUWFJFHSA-N 1 1 407.518 2.577 40 0 HFABMO c1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)ccn1 ZINC000019405687 558884918 /nfs/dbraw/zinc/88/49/18/558884918.db2.gz BYXODLRNBQEJRG-AZUAARDMSA-N 1 1 409.534 2.591 40 0 HFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000019448247 558886977 /nfs/dbraw/zinc/88/69/77/558886977.db2.gz RHYIUWJFZMMBFT-LJQANCHMSA-N 1 1 416.472 2.721 40 0 HFABMO COc1cccc([C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496516 558895373 /nfs/dbraw/zinc/89/53/73/558895373.db2.gz NAZPZOUSOUPIMV-AYOQOUSVSA-N 1 1 400.548 2.988 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ncccc4c2)C3)C[C@@H](C)O1 ZINC000019497597 558896397 /nfs/dbraw/zinc/89/63/97/558896397.db2.gz AAIDJZBTZTVBNF-HZPDHXFCSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ncccc4c2)C3)C[C@@H](C)O1 ZINC000019497597 558896399 /nfs/dbraw/zinc/89/63/99/558896399.db2.gz AAIDJZBTZTVBNF-HZPDHXFCSA-N 1 1 405.502 2.902 40 0 HFABMO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019501122 558899091 /nfs/dbraw/zinc/89/90/91/558899091.db2.gz COURLMFQLYVQTR-QGZVFWFLSA-N 1 1 410.518 2.865 40 0 HFABMO COc1cc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549680 558914355 /nfs/dbraw/zinc/91/43/55/558914355.db2.gz ZMNUOPXOPGGOGF-KRWDZBQOSA-N 1 1 422.485 2.847 40 0 HFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575190 558932589 /nfs/dbraw/zinc/93/25/89/558932589.db2.gz ZTQDARNKWLARFX-GIVPXCGWSA-N 1 1 410.562 2.605 40 0 HFABMO C[C@]12CC[C@H](C[C@@H]1C(=O)N1CC[N@H+]3CCC[C@@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326512 558933506 /nfs/dbraw/zinc/93/35/06/558933506.db2.gz FAOJJDMFNZOAEQ-PKAOZNQDSA-N 1 1 408.546 2.671 40 0 HFABMO COC(=O)[C@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340271 558939016 /nfs/dbraw/zinc/93/90/16/558939016.db2.gz CYXIUZNNVMXCHK-YQOVMPOYSA-N 1 1 424.497 2.807 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@H+](C)C2 ZINC000019708781 558971169 /nfs/dbraw/zinc/97/11/69/558971169.db2.gz KCPHQPHDHMFMQC-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708781 558971171 /nfs/dbraw/zinc/97/11/71/558971171.db2.gz KCPHQPHDHMFMQC-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711413 558973653 /nfs/dbraw/zinc/97/36/53/558973653.db2.gz RPHKITMWZYSZFZ-HXUWFJFHSA-N 1 1 407.562 2.869 40 0 HFABMO CCCn1cc(C[N@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395734 558974800 /nfs/dbraw/zinc/97/48/00/558974800.db2.gz OYSDWPNLMOMXSM-YADHBBJMSA-N 1 1 409.534 2.898 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220348 558990559 /nfs/dbraw/zinc/99/05/59/558990559.db2.gz DKMFOTAVDJZKEB-ZJOUEHCJSA-N 1 1 412.578 2.940 40 0 HFABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1csc(C)n1)CC2 ZINC000585103484 559026668 /nfs/dbraw/zinc/02/66/68/559026668.db2.gz GYDOQOCNTNRFKG-GOSISDBHSA-N 1 1 400.548 2.990 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106327 559028694 /nfs/dbraw/zinc/02/86/94/559028694.db2.gz VAQLKVKARRRHHG-RTWAWAEBSA-N 1 1 413.537 2.597 40 0 HFABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccsc1)CC3 ZINC000096036306 559090019 /nfs/dbraw/zinc/09/00/19/559090019.db2.gz DOHOGOANCGPGCS-PGRDOPGGSA-N 1 1 401.576 2.935 40 0 HFABMO Cc1ccc(N2CC[N@@H+](CC(C)C)C3(CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 ZINC000096077212 559094547 /nfs/dbraw/zinc/09/45/47/559094547.db2.gz BVCBKCHLTPRHFZ-UHFFFAOYSA-N 1 1 423.561 2.708 40 0 HFABMO Cc1ccc(N2CC[N@H+](CC(C)C)C3(CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 ZINC000096077212 559094548 /nfs/dbraw/zinc/09/45/48/559094548.db2.gz BVCBKCHLTPRHFZ-UHFFFAOYSA-N 1 1 423.561 2.708 40 0 HFABMO COc1ccc(-c2cnc3n2CC[NH2+]C32CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000096263386 559107111 /nfs/dbraw/zinc/10/71/11/559107111.db2.gz JSJRAWAHJYXIIM-UHFFFAOYSA-N 1 1 403.486 2.688 40 0 HFABMO Cc1nccn1C[C@]1(O)CN(C(=O)c2ccccc2Nc2ccccc2)CC[N@H+](C)C1 ZINC000585261737 559109360 /nfs/dbraw/zinc/10/93/60/559109360.db2.gz CYJNCOJUDQTCME-DEOSSOPVSA-N 1 1 419.529 2.754 40 0 HFABMO CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000585262310 559110753 /nfs/dbraw/zinc/11/07/53/559110753.db2.gz SIPVLCYITHYSAE-LWSSLDFYSA-N 1 1 423.557 2.530 40 0 HFABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccccc3Cl)C[C@H]2NC(C)=O)cc1 ZINC000585262279 559110759 /nfs/dbraw/zinc/11/07/59/559110759.db2.gz VCIIOBDIQKESLV-YJMBLLCNSA-N 1 1 418.921 2.866 40 0 HFABMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272008 559117839 /nfs/dbraw/zinc/11/78/39/559117839.db2.gz IJRNUSRQNVBAGS-NRFANRHFSA-N 1 1 400.519 2.572 40 0 HFABMO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000585294752 559137752 /nfs/dbraw/zinc/13/77/52/559137752.db2.gz JEFJXUBHFDPGMS-FQUZAXHOSA-N 1 1 405.494 2.989 40 0 HFABMO O[C@]1(CN2CCN(c3ccccc3)CC2)CC[N@@H+](Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286190 /nfs/dbraw/zinc/28/61/90/559286190.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 1 1 413.537 2.794 40 0 HFABMO O[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCF)cc2)C1 ZINC000257310763 559286192 /nfs/dbraw/zinc/28/61/92/559286192.db2.gz UGLFTBVNKQKYPE-DEOSSOPVSA-N 1 1 413.537 2.794 40 0 HFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000144350674 560544522 /nfs/dbraw/zinc/54/45/22/560544522.db2.gz DABBLJFMKITKJM-UHFFFAOYSA-N 1 1 407.514 2.571 40 0 HFABMO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000020098559 560880500 /nfs/dbraw/zinc/88/05/00/560880500.db2.gz YDHNHBFVZHYVEZ-FYYLOGMGSA-N 1 1 418.545 2.908 40 0 HFABMO c1ccc(C[N@H+]2CCCN(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000026456238 568549672 /nfs/dbraw/zinc/54/96/72/568549672.db2.gz ZWEABKOBBNJTJB-UHFFFAOYSA-N 1 1 407.562 2.904 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223685605 568556201 /nfs/dbraw/zinc/55/62/01/568556201.db2.gz HPMQOKBURCNNPO-LJQANCHMSA-N 1 1 419.591 2.919 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000224425612 568580877 /nfs/dbraw/zinc/58/08/77/568580877.db2.gz MIZHLZRJKZBIFU-UHFFFAOYSA-N 1 1 415.559 2.593 40 0 HFABMO O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224564673 568585518 /nfs/dbraw/zinc/58/55/18/568585518.db2.gz NTJQTOFSFWPEDI-UHFFFAOYSA-N 1 1 412.914 2.931 40 0 HFABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1C ZINC000224588368 568586539 /nfs/dbraw/zinc/58/65/39/568586539.db2.gz ZLTWOFUUMVVQLC-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)NCc2ccccn2)cc1 ZINC000257223844 568783118 /nfs/dbraw/zinc/78/31/18/568783118.db2.gz DZDUHXHMOFVRFN-HFMPRLQTSA-N 1 1 422.529 2.581 40 0 HFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)NCc2ccccn2)cc1 ZINC000257223844 568783120 /nfs/dbraw/zinc/78/31/20/568783120.db2.gz DZDUHXHMOFVRFN-HFMPRLQTSA-N 1 1 422.529 2.581 40 0 HFABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@H+](Cc4cc(C)cc(C)c4)C[C@@H]32)cc1 ZINC000306132655 568894926 /nfs/dbraw/zinc/89/49/26/568894926.db2.gz LONFCZPWDJXBPI-FCHUYYIVSA-N 1 1 416.525 2.608 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138238 568900238 /nfs/dbraw/zinc/90/02/38/568900238.db2.gz RSXRIJIMUMDSEM-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)c4ccccc4)CC[C@@H]3[N@H+]2C)cc1 ZINC000306138735 568900574 /nfs/dbraw/zinc/90/05/74/568900574.db2.gz SGDSZNHKTIAZHD-BVSLBCMMSA-N 1 1 407.514 2.546 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)o1 ZINC000306138960 568900775 /nfs/dbraw/zinc/90/07/75/568900775.db2.gz SLTKCMBPEBTNIK-LPHOPBHVSA-N 1 1 409.465 2.868 40 0 HFABMO Cc1nc(NC2CCCCC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000328966311 568970136 /nfs/dbraw/zinc/97/01/36/568970136.db2.gz CLDSKNCLKGEWHT-UHFFFAOYSA-N 1 1 401.536 2.740 40 0 HFABMO CCS(=O)(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546890 569050159 /nfs/dbraw/zinc/05/01/59/569050159.db2.gz IEFGRADEUAHHMH-XLIONFOSSA-N 1 1 407.605 2.935 40 0 HFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000248070354 569316053 /nfs/dbraw/zinc/31/60/53/569316053.db2.gz XIGBGXULJODBCZ-MRUHUIDDSA-N 1 1 407.518 2.876 40 0 HFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592188 569318203 /nfs/dbraw/zinc/31/82/03/569318203.db2.gz UBJARVAUGANOPS-JQHSSLGASA-N 1 1 422.529 2.721 40 0 HFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592190 569318220 /nfs/dbraw/zinc/31/82/20/569318220.db2.gz UBJARVAUGANOPS-KBAYOESNSA-N 1 1 422.529 2.721 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000006325864 569330905 /nfs/dbraw/zinc/33/09/05/569330905.db2.gz ZEIBPQXSASITIA-UHFFFAOYSA-N 1 1 421.950 2.699 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000006953280 569335644 /nfs/dbraw/zinc/33/56/44/569335644.db2.gz KAALRVXLDSKBIU-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019463267 569345510 /nfs/dbraw/zinc/34/55/10/569345510.db2.gz GYIXNGBNPZDIMQ-INMHGKMJSA-N 1 1 412.559 2.752 40 0 HFABMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009319943 569392229 /nfs/dbraw/zinc/39/22/29/569392229.db2.gz GIOAWWPCSIQNBC-FVJVTNMWSA-N 1 1 419.456 2.874 40 0 HFABMO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000004895402 571046199 /nfs/dbraw/zinc/04/61/99/571046199.db2.gz MTKCSJGOGLZBIT-UHFFFAOYSA-N 1 1 407.474 2.787 40 0 HFABMO C[N@H+](Cc1ccccc1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000067870696 291220264 /nfs/dbraw/zinc/22/02/64/291220264.db2.gz MGLANNZNCGNTTA-FDFHNCONSA-N 1 1 413.587 2.807 40 0 biogenic,in-vitro HFABMO COc1cc(Br)c2c3c1O[C@H]1C4(CC[C@@H]5[C@@H](C2)[N@H+](C)CC[C@]315)OCCO4 ZINC000096316249 291222941 /nfs/dbraw/zinc/22/29/41/291222941.db2.gz ZABOYUCAGYOXEK-VOQHCJDSSA-N 1 1 422.319 2.870 40 0 biogenic,in-vitro HFABMO O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298228 291228304 /nfs/dbraw/zinc/22/83/04/291228304.db2.gz KDGQUQJDFJBFNN-VSKRKVRLSA-N 1 1 401.514 2.972 40 0 biogenic,in-vitro HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1N1CCCCC1 ZINC000012114569 132354113 /nfs/dbraw/zinc/35/41/13/132354113.db2.gz OTGOIAVDJRGTME-QRQCMCJISA-N 1 1 423.561 2.864 40 0 HFABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1N1CCCCC1 ZINC000012114569 132354115 /nfs/dbraw/zinc/35/41/15/132354115.db2.gz OTGOIAVDJRGTME-QRQCMCJISA-N 1 1 423.561 2.864 40 0 HFABMO COc1ccc2c3c1O[C@H]1[C@@H](OC(=O)c4cccnc4)CC[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000004217090 557529418 /nfs/dbraw/zinc/52/94/18/557529418.db2.gz GTGRMWCOZHEYRL-MJFIPZRTSA-N 1 1 406.482 2.985 40 0 in-man HFABMO O=C(C[N@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1)N1CCC1 ZINC000019761033 558276488 /nfs/dbraw/zinc/27/64/88/558276488.db2.gz ATSHYZJHOKYSFV-OAHLLOKOSA-N 1 1 421.526 2.965 40 0 HFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012220791 558355643 /nfs/dbraw/zinc/35/56/43/558355643.db2.gz CGSGYCFSGQTLED-AWEZNQCLSA-N 1 1 405.458 2.605 40 0 HFABMO CC(C)c1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012366351 558388237 /nfs/dbraw/zinc/38/82/37/558388237.db2.gz CNYAOZMLODDMCW-LIMIJEPZSA-N 1 1 409.534 2.592 40 0 HFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711318 558576053 /nfs/dbraw/zinc/57/60/53/558576053.db2.gz NZQSETBFCLLEFL-NRFANRHFSA-N 1 1 415.559 2.576 40 0 HFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000030947488 558746685 /nfs/dbraw/zinc/74/66/85/558746685.db2.gz PBFGOJGUUJFQNG-UHFFFAOYSA-N 1 1 424.526 2.693 40 0 HFABMO Cc1ccc(N2CN(CCC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000038830144 558816523 /nfs/dbraw/zinc/81/65/23/558816523.db2.gz SPFPIDXKMKYMIP-UHFFFAOYSA-N 1 1 411.550 2.568 40 0 HFABMO COc1ccc(C)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019133245 558845801 /nfs/dbraw/zinc/84/58/01/558845801.db2.gz IWMCAEZBDSQUDO-NHJWOMDBSA-N 1 1 413.518 2.931 40 0 HFABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019236430 558855583 /nfs/dbraw/zinc/85/55/83/558855583.db2.gz QOQDQAOCPCKWJM-OAQYLSRUSA-N 1 1 421.549 2.665 40 0 HFABMO O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339471 558871048 /nfs/dbraw/zinc/87/10/48/558871048.db2.gz HUUGJXKXZIJPOG-LJQANCHMSA-N 1 1 421.545 2.619 40 0 HFABMO O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339471 558871050 /nfs/dbraw/zinc/87/10/50/558871050.db2.gz HUUGJXKXZIJPOG-LJQANCHMSA-N 1 1 421.545 2.619 40 0 HFABMO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019343140 558872486 /nfs/dbraw/zinc/87/24/86/558872486.db2.gz FXLKULBVFURJIQ-OAHLLOKOSA-N 1 1 412.559 2.691 40 0 HFABMO O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405342 558884651 /nfs/dbraw/zinc/88/46/51/558884651.db2.gz UTTYDHNLJIPXSW-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405342 558884653 /nfs/dbraw/zinc/88/46/53/558884653.db2.gz UTTYDHNLJIPXSW-OAQYLSRUSA-N 1 1 421.545 2.967 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)CC1 ZINC000019495984 558894739 /nfs/dbraw/zinc/89/47/39/558894739.db2.gz QJWVDGXNVSUGKR-PNGKTBNWSA-N 1 1 414.550 2.962 40 0 HFABMO CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCC(C)CC2)CC3)C1 ZINC000019520310 558901285 /nfs/dbraw/zinc/90/12/85/558901285.db2.gz WTPGNTWKGYLFRW-CGZBRXJRSA-N 1 1 422.595 2.648 40 0 HFABMO COc1cc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549678 558914390 /nfs/dbraw/zinc/91/43/90/558914390.db2.gz ZMNUOPXOPGGOGF-QGZVFWFLSA-N 1 1 422.485 2.847 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCN(C(=O)C5CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555546 558918123 /nfs/dbraw/zinc/91/81/23/558918123.db2.gz AXPMBBUJJZFBLP-SFHVURJKSA-N 1 1 422.529 2.865 40 0 HFABMO COc1ccc(-c2n[nH]cc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019557837 558919782 /nfs/dbraw/zinc/91/97/82/558919782.db2.gz DYSKKNDVIVZVSM-UHFFFAOYSA-N 1 1 407.518 2.815 40 0 HFABMO COc1ccc(-c2n[nH]cc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019557837 558919784 /nfs/dbraw/zinc/91/97/84/558919784.db2.gz DYSKKNDVIVZVSM-UHFFFAOYSA-N 1 1 407.518 2.815 40 0 HFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335476 558936384 /nfs/dbraw/zinc/93/63/84/558936384.db2.gz PNGMCJXHKOZMIH-HOTGVXAUSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335476 558936386 /nfs/dbraw/zinc/93/63/86/558936386.db2.gz PNGMCJXHKOZMIH-HOTGVXAUSA-N 1 1 405.502 2.902 40 0 HFABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019591927 558942926 /nfs/dbraw/zinc/94/29/26/558942926.db2.gz JQJUPSGKDFRXSJ-DEOSSOPVSA-N 1 1 402.498 2.703 40 0 HFABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019591927 558942927 /nfs/dbraw/zinc/94/29/27/558942927.db2.gz JQJUPSGKDFRXSJ-DEOSSOPVSA-N 1 1 402.498 2.703 40 0 HFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000072347174 558943939 /nfs/dbraw/zinc/94/39/39/558943939.db2.gz AAIDJZBTZTVBNF-HOTGVXAUSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000072347174 558943940 /nfs/dbraw/zinc/94/39/40/558943940.db2.gz AAIDJZBTZTVBNF-HOTGVXAUSA-N 1 1 405.502 2.902 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)Nc1ccccc1[C@@H]1NC(=O)c2cccnc2N1C ZINC000072347386 558944491 /nfs/dbraw/zinc/94/44/91/558944491.db2.gz GWEVBHBMRLLMQH-OAQYLSRUSA-N 1 1 404.474 2.748 40 0 HFABMO CN1CCN(c2cc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)ccn2)CC1 ZINC000019654646 558947963 /nfs/dbraw/zinc/94/79/63/558947963.db2.gz DEPWIMCQXDQQBK-LJQANCHMSA-N 1 1 401.942 2.520 40 0 HFABMO Cc1cc(N2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000072352663 558949247 /nfs/dbraw/zinc/94/92/47/558949247.db2.gz GXSQMNROLUGFQK-QGZVFWFLSA-N 1 1 405.502 2.700 40 0 HFABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358559 558954107 /nfs/dbraw/zinc/95/41/07/558954107.db2.gz HJARBVXLZILLAO-LJQANCHMSA-N 1 1 407.518 2.904 40 0 HFABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(-c4cnc(N)nc4)cn3)C2)cc1 ZINC000019688633 558958229 /nfs/dbraw/zinc/95/82/29/558958229.db2.gz WNQYWJJHOFJKRR-QGZVFWFLSA-N 1 1 418.501 2.948 40 0 HFABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(-c4cnc(N)nc4)cn3)C2)cc1 ZINC000019688633 558958231 /nfs/dbraw/zinc/95/82/31/558958231.db2.gz WNQYWJJHOFJKRR-QGZVFWFLSA-N 1 1 418.501 2.948 40 0 HFABMO CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000019705986 558968557 /nfs/dbraw/zinc/96/85/57/558968557.db2.gz CPTYUSITVHRPCY-IBGZPJMESA-N 1 1 424.520 2.951 40 0 HFABMO Cc1nonc1CN(C)C(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706036 558968668 /nfs/dbraw/zinc/96/86/68/558968668.db2.gz JTBWUBLNOVWRCU-GOSISDBHSA-N 1 1 406.490 2.820 40 0 HFABMO CNc1nc([C@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CC[N@H+](C)C2 ZINC000019708472 558970859 /nfs/dbraw/zinc/97/08/59/558970859.db2.gz YEDRFEOTUKWJGN-HXUWFJFHSA-N 1 1 409.534 2.811 40 0 HFABMO CNc1nc([C@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708472 558970861 /nfs/dbraw/zinc/97/08/61/558970861.db2.gz YEDRFEOTUKWJGN-HXUWFJFHSA-N 1 1 409.534 2.811 40 0 HFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]32)c(OC)n1 ZINC000072392623 558972368 /nfs/dbraw/zinc/97/23/68/558972368.db2.gz UEHKTLTWYPMGRL-FCORRRHLSA-N 1 1 408.502 2.715 40 0 HFABMO CC(C)[NH+]1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 ZINC000072396902 558975750 /nfs/dbraw/zinc/97/57/50/558975750.db2.gz AYYNLEJOLSYODS-UHFFFAOYSA-N 1 1 400.548 2.813 40 0 HFABMO Cc1[nH+]ccn1CC1CCN(C(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000019717195 558979572 /nfs/dbraw/zinc/97/95/72/558979572.db2.gz QOKXCNKPPGYIDE-NRFANRHFSA-N 1 1 400.498 2.643 40 0 HFABMO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)nc2ccccn12 ZINC000585100765 559024132 /nfs/dbraw/zinc/02/41/32/559024132.db2.gz VSYXGUZULFTZHV-QHCPKHFHSA-N 1 1 411.550 2.514 40 0 HFABMO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c(F)c1 ZINC000585103964 559025894 /nfs/dbraw/zinc/02/58/94/559025894.db2.gz HTKLUTMHIGUCEE-JOCHJYFZSA-N 1 1 417.481 2.690 40 0 HFABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c(F)c1 ZINC000585103964 559025895 /nfs/dbraw/zinc/02/58/95/559025895.db2.gz HTKLUTMHIGUCEE-JOCHJYFZSA-N 1 1 417.481 2.690 40 0 HFABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)Cc3cccc(F)c3F)C2)C1 ZINC000585102792 559026300 /nfs/dbraw/zinc/02/63/00/559026300.db2.gz HVDZOQSNCLSMNI-FDDCHVKYSA-N 1 1 415.484 2.899 40 0 HFABMO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103161 559026514 /nfs/dbraw/zinc/02/65/14/559026514.db2.gz DZEKBMPSTNKACA-UXHICEINSA-N 1 1 400.519 2.644 40 0 HFABMO COC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103161 559026516 /nfs/dbraw/zinc/02/65/16/559026516.db2.gz DZEKBMPSTNKACA-UXHICEINSA-N 1 1 400.519 2.644 40 0 HFABMO Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)n(C)n1 ZINC000585109719 559029443 /nfs/dbraw/zinc/02/94/43/559029443.db2.gz LIYHNNSTPONNKU-WPFOTENUSA-N 1 1 408.546 2.932 40 0 HFABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)C5CC(O)C5)CCO4)[nH+]cn3c2)cc1 ZINC000585113127 559030957 /nfs/dbraw/zinc/03/09/57/559030957.db2.gz FQSBYQMWEJABBU-WIXQSORDSA-N 1 1 407.470 2.681 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccoc1)CCC2 ZINC000096056086 559093836 /nfs/dbraw/zinc/09/38/36/559093836.db2.gz CHOKJTNKTBPSAM-XXBNENTESA-N 1 1 411.502 2.901 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144155 559096455 /nfs/dbraw/zinc/09/64/55/559096455.db2.gz LLSVPUNYQFCNMK-XMMPIXPASA-N 1 1 408.546 2.868 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2c(C)noc2C)CC3)C1=O ZINC000096262773 559106766 /nfs/dbraw/zinc/10/67/66/559106766.db2.gz FOBVOTOYNHHHFY-HSZRJFAPSA-N 1 1 416.566 2.724 40 0 HFABMO COc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(C)=O ZINC000585262459 559111045 /nfs/dbraw/zinc/11/10/45/559111045.db2.gz TURIOEOAFXMUMO-GFRNBQLOSA-N 1 1 418.921 2.866 40 0 HFABMO COc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(C)=O ZINC000585262459 559111047 /nfs/dbraw/zinc/11/10/47/559111047.db2.gz TURIOEOAFXMUMO-GFRNBQLOSA-N 1 1 418.921 2.866 40 0 HFABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c1 ZINC000585271188 559116575 /nfs/dbraw/zinc/11/65/75/559116575.db2.gz SYTFVFCBQWTIIU-HXUWFJFHSA-N 1 1 411.502 2.842 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CCCC[C@@H]4CN(C(C)=O)CC[C@@H]43)CC2)c1 ZINC000585282766 559120178 /nfs/dbraw/zinc/12/01/78/559120178.db2.gz AMBXBRKRCNAHKC-OFNKIYASSA-N 1 1 415.578 2.749 40 0 HFABMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100153772 559130931 /nfs/dbraw/zinc/13/09/31/559130931.db2.gz ZUGBJJOWVPLXFG-LJQANCHMSA-N 1 1 401.869 2.929 40 0 HFABMO Cc1cc(Cl)ccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000044792542 559173396 /nfs/dbraw/zinc/17/33/96/559173396.db2.gz CFCVABBZYGQCFS-UHFFFAOYSA-N 1 1 421.950 2.618 40 0 HFABMO O[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257231916 559283977 /nfs/dbraw/zinc/28/39/77/559283977.db2.gz GIRIFTWBQIDOTC-SFTDATJTSA-N 1 1 403.473 2.937 40 0 HFABMO O[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000257231916 559283979 /nfs/dbraw/zinc/28/39/79/559283979.db2.gz GIRIFTWBQIDOTC-SFTDATJTSA-N 1 1 403.473 2.937 40 0 HFABMO CC[NH+](CC)CCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000022108318 568475341 /nfs/dbraw/zinc/47/53/41/568475341.db2.gz PXWYOKOIJNGSIE-UHFFFAOYSA-N 1 1 424.549 2.990 40 0 HFABMO CSc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831745 568745886 /nfs/dbraw/zinc/74/58/86/568745886.db2.gz LLLADMLIHMYNKH-JOCHJYFZSA-N 1 1 410.543 2.999 40 0 HFABMO C[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)C[C@H](C)O1 ZINC000253603174 568755007 /nfs/dbraw/zinc/75/50/07/568755007.db2.gz JHWLUCMKLCBTBB-NSHGMRRFSA-N 1 1 419.529 2.968 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H]1O ZINC000257203166 568777185 /nfs/dbraw/zinc/77/71/85/568777185.db2.gz AOXNZAPOECSAAE-FVQBIDKESA-N 1 1 407.396 2.971 40 0 HFABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc(C)c1CC(=O)NC(C)C ZINC000257225832 568783691 /nfs/dbraw/zinc/78/36/91/568783691.db2.gz FIBLLUPFSPZSIE-LJQANCHMSA-N 1 1 424.545 2.921 40 0 HFABMO Cn1cnc(S(=O)(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257268222 568795154 /nfs/dbraw/zinc/79/51/54/568795154.db2.gz MKTALKJXFCIEFY-UERWRGBPSA-N 1 1 414.575 2.667 40 0 HFABMO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000257291906 568802059 /nfs/dbraw/zinc/80/20/59/568802059.db2.gz QJESIELQRNZORD-QFIPXVFZSA-N 1 1 402.514 2.584 40 0 HFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000257300024 568804517 /nfs/dbraw/zinc/80/45/17/568804517.db2.gz RSPLLGIOQVIITL-WXFUMESZSA-N 1 1 406.530 2.690 40 0 HFABMO Cn1c(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)nc2ccccc21 ZINC000257318164 568809745 /nfs/dbraw/zinc/80/97/45/568809745.db2.gz VMSXAFGKLKWHCZ-HXUWFJFHSA-N 1 1 415.501 2.607 40 0 HFABMO Cn1c(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)nc2ccccc21 ZINC000257318164 568809746 /nfs/dbraw/zinc/80/97/46/568809746.db2.gz VMSXAFGKLKWHCZ-HXUWFJFHSA-N 1 1 415.501 2.607 40 0 HFABMO O=C(C[N@@H+]1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000257320456 568810451 /nfs/dbraw/zinc/81/04/51/568810451.db2.gz VWXFTVKHNJVIPB-MBOZVWFJSA-N 1 1 408.502 2.777 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306125482 568888409 /nfs/dbraw/zinc/88/84/09/568888409.db2.gz CSFQLXMSXQGMIU-RTBURBONSA-N 1 1 405.477 2.652 40 0 HFABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128315 568891264 /nfs/dbraw/zinc/89/12/64/568891264.db2.gz GWYVGBRSRPQMLO-QANKJYHBSA-N 1 1 400.445 2.727 40 0 HFABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@@H+](C[C@H](C)C(F)(F)F)CCO3)cn1 ZINC000306128315 568891265 /nfs/dbraw/zinc/89/12/65/568891265.db2.gz GWYVGBRSRPQMLO-QANKJYHBSA-N 1 1 400.445 2.727 40 0 HFABMO c1csc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)c1 ZINC000306129273 568891839 /nfs/dbraw/zinc/89/18/39/568891839.db2.gz HZDVJSBGTPGVDS-INIZCTEOSA-N 1 1 407.503 2.927 40 0 HFABMO c1csc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)c1 ZINC000306129273 568891840 /nfs/dbraw/zinc/89/18/40/568891840.db2.gz HZDVJSBGTPGVDS-INIZCTEOSA-N 1 1 407.503 2.927 40 0 HFABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131944 568894265 /nfs/dbraw/zinc/89/42/65/568894265.db2.gz KTQZTVHPRXEAQF-FQEVSTJZSA-N 1 1 419.572 2.889 40 0 HFABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4cc(C)cc(C)c4)C[C@@H]32)cc1 ZINC000306132656 568894797 /nfs/dbraw/zinc/89/47/97/568894797.db2.gz LONFCZPWDJXBPI-FGZHOGPDSA-N 1 1 416.525 2.608 40 0 HFABMO CCc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cc1 ZINC000306133212 568895387 /nfs/dbraw/zinc/89/53/87/568895387.db2.gz MFJBVSGRMAUQPJ-HSZRJFAPSA-N 1 1 422.554 2.625 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137127 568898807 /nfs/dbraw/zinc/89/88/07/568898807.db2.gz QMBVVHXMTIHJBO-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306137129 568898977 /nfs/dbraw/zinc/89/89/77/568898977.db2.gz QMBVVHXMTIHJBO-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306137148 568899223 /nfs/dbraw/zinc/89/92/23/568899223.db2.gz QMQXVXDYDKHLOA-NQIIRXRSSA-N 1 1 402.564 2.990 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306137130 568899225 /nfs/dbraw/zinc/89/92/25/568899225.db2.gz QMBVVHXMTIHJBO-JTHBVZDNSA-N 1 1 420.538 2.935 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4scnc4C)C[C@H]2C3)cc1 ZINC000306138835 568900652 /nfs/dbraw/zinc/90/06/52/568900652.db2.gz SIRZFRUFOBEFLJ-CABCVRRESA-N 1 1 424.530 2.608 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@H]3C2)s1 ZINC000306139696 568901608 /nfs/dbraw/zinc/90/16/08/568901608.db2.gz TXWHKQJVHSEQFR-QAPCUYQASA-N 1 1 412.559 2.905 40 0 HFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306140987 568902780 /nfs/dbraw/zinc/90/27/80/568902780.db2.gz VIIWNZRPFCRWKK-KBPBESRZSA-N 1 1 412.494 2.739 40 0 HFABMO C[NH+](C)CCCNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000329054177 568974721 /nfs/dbraw/zinc/97/47/21/568974721.db2.gz VJYYNZMGOQJPQY-UHFFFAOYSA-N 1 1 404.356 2.936 40 0 HFABMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198494 569058906 /nfs/dbraw/zinc/05/89/06/569058906.db2.gz APOCTQBTQNWTOI-PMTLTCCBSA-N 1 1 418.541 2.887 40 0 HFABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000248084265 569316065 /nfs/dbraw/zinc/31/60/65/569316065.db2.gz AZIGQRWIAUJEEC-IEBWSBKVSA-N 1 1 421.607 2.817 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000253590874 569318052 /nfs/dbraw/zinc/31/80/52/569318052.db2.gz GQEJABFVPSXWEN-BPAFIMBUSA-N 1 1 407.518 2.845 40 0 HFABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000253590874 569318053 /nfs/dbraw/zinc/31/80/53/569318053.db2.gz GQEJABFVPSXWEN-BPAFIMBUSA-N 1 1 407.518 2.845 40 0 HFABMO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)C2CCOCC2)n1 ZINC000019700830 569347244 /nfs/dbraw/zinc/34/72/44/569347244.db2.gz XDZYNXUOMJDREX-GOSISDBHSA-N 1 1 409.534 2.645 40 0 HFABMO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCOCC2)n1 ZINC000019700830 569347245 /nfs/dbraw/zinc/34/72/45/569347245.db2.gz XDZYNXUOMJDREX-GOSISDBHSA-N 1 1 409.534 2.645 40 0 HFABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)C2CCOCC2)n1 ZINC000019700829 569347270 /nfs/dbraw/zinc/34/72/70/569347270.db2.gz XDZYNXUOMJDREX-SFHVURJKSA-N 1 1 409.534 2.645 40 0 HFABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCOCC2)n1 ZINC000019700829 569347271 /nfs/dbraw/zinc/34/72/71/569347271.db2.gz XDZYNXUOMJDREX-SFHVURJKSA-N 1 1 409.534 2.645 40 0 HFABMO CCOc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000034916883 569351658 /nfs/dbraw/zinc/35/16/58/569351658.db2.gz WNAPYSMAKDGLGP-FQEVSTJZSA-N 1 1 407.514 2.783 40 0 HFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c(NC(=O)c2ccccc2Cl)c1F ZINC000041070642 521639503 /nfs/dbraw/zinc/63/95/03/521639503.db2.gz WNTUSXSJYKZOTL-GFCCVEGCSA-N 1 1 407.877 2.679 40 0 HFABMO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)N1CCN(/C=C/c2ccccc2)CC1 ZINC000001589317 557274841 /nfs/dbraw/zinc/27/48/41/557274841.db2.gz IFNOUGMPJJULLQ-SDNWHVSQSA-N 1 1 405.542 2.785 40 0 HFABMO COc1cccc(C2=NO[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1OC ZINC000019894455 558303665 /nfs/dbraw/zinc/30/36/65/558303665.db2.gz DUAVUBPTAGPTQZ-OAQYLSRUSA-N 1 1 409.486 2.541 40 0 HFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012116215 558328228 /nfs/dbraw/zinc/32/82/28/558328228.db2.gz KPXTYDFTNXKFHW-RDJZCZTQSA-N 1 1 411.531 2.977 40 0 HFABMO O=C(COc1ccc2ccccc2c1Br)NCCC[NH+]1CCOCC1 ZINC000047081126 558841598 /nfs/dbraw/zinc/84/15/98/558841598.db2.gz ZCDHDWYZWGOGAX-UHFFFAOYSA-N 1 1 407.308 2.820 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc1CO ZINC000019236379 558855599 /nfs/dbraw/zinc/85/55/99/558855599.db2.gz PEPOOQGIMNYVAW-GBXCKJPGSA-N 1 1 409.530 2.919 40 0 HFABMO COc1ccc([C@@H]2CN(C(=O)C[N@H+]3CCC[C@H](C)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285474 558859927 /nfs/dbraw/zinc/85/99/27/558859927.db2.gz COQDUNVHZGWNMK-ORYQWCPZSA-N 1 1 424.545 2.528 40 0 HFABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000019288092 558861197 /nfs/dbraw/zinc/86/11/97/558861197.db2.gz ZPIUKDYRPQRQLI-LJQANCHMSA-N 1 1 424.480 2.753 40 0 HFABMO COCC[NH+]1CCN(c2ncc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)CC1 ZINC000019291592 558864093 /nfs/dbraw/zinc/86/40/93/558864093.db2.gz AVIKECUTLPHZFR-UHFFFAOYSA-N 1 1 412.925 2.966 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293840 558865450 /nfs/dbraw/zinc/86/54/50/558865450.db2.gz ZYZSNGVZCPTFKO-KRWDZBQOSA-N 1 1 410.493 2.583 40 0 HFABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000054672255 558868558 /nfs/dbraw/zinc/86/85/58/558868558.db2.gz ORHIRIDEXZQTEZ-MRXNPFEDSA-N 1 1 407.305 2.648 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019333170 558869010 /nfs/dbraw/zinc/86/90/10/558869010.db2.gz KZFYFJDIJPSBEQ-KRWDZBQOSA-N 1 1 424.520 2.768 40 0 HFABMO O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349247 558874888 /nfs/dbraw/zinc/87/48/88/558874888.db2.gz RHQUTAYNVAABPE-HXUWFJFHSA-N 1 1 410.493 2.931 40 0 HFABMO O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349247 558874890 /nfs/dbraw/zinc/87/48/90/558874890.db2.gz RHQUTAYNVAABPE-HXUWFJFHSA-N 1 1 410.493 2.931 40 0 HFABMO O=C(NCC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372469 558879768 /nfs/dbraw/zinc/87/97/68/558879768.db2.gz JSKWJDVPQGQSAL-SFTDATJTSA-N 1 1 405.546 2.819 40 0 HFABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501588 558899651 /nfs/dbraw/zinc/89/96/51/558899651.db2.gz SUACVJNWEBKHOL-QGZVFWFLSA-N 1 1 412.509 2.973 40 0 HFABMO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549912 558914690 /nfs/dbraw/zinc/91/46/90/558914690.db2.gz WXDFIGXAAMIAFP-QHAWAJNXSA-N 1 1 412.530 2.575 40 0 HFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)Cc3ccccn3)CC2)n(C)n1 ZINC000019562489 558923073 /nfs/dbraw/zinc/92/30/73/558923073.db2.gz UCXMFGZXBHWZAE-UHFFFAOYSA-N 1 1 410.547 2.570 40 0 HFABMO O[C@]1(c2ccc(F)cc2)CC[C@@H]2C[N@@H+](Cc3ccnc(N4CCSCC4)n3)C[C@@H]21 ZINC000072340411 558939093 /nfs/dbraw/zinc/93/90/93/558939093.db2.gz YBHWXJHFJDQWKG-BUVFEPMLSA-N 1 1 414.550 2.899 40 0 HFABMO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000072340548 558939344 /nfs/dbraw/zinc/93/93/44/558939344.db2.gz UFPPSMCQYNXCOJ-QFIPXVFZSA-N 1 1 410.493 2.972 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343012 558940595 /nfs/dbraw/zinc/94/05/95/558940595.db2.gz SFHFTUGTFJFNDS-GQNMWPQZSA-N 1 1 405.445 2.892 40 0 HFABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019593847 558945164 /nfs/dbraw/zinc/94/51/64/558945164.db2.gz FFBKQRMWYDJBOU-INIZCTEOSA-N 1 1 411.531 2.857 40 0 HFABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371485 558958433 /nfs/dbraw/zinc/95/84/33/558958433.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 1 1 422.533 2.885 40 0 HFABMO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371485 558958435 /nfs/dbraw/zinc/95/84/35/558958435.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 1 1 422.533 2.885 40 0 HFABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371485 558958436 /nfs/dbraw/zinc/95/84/36/558958436.db2.gz YRDSMZQEAZLZOY-SFHVURJKSA-N 1 1 422.533 2.885 40 0 HFABMO CC1CCN(C(=O)C[NH+]2CCC(c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)CC2)CC1 ZINC000072374106 558961424 /nfs/dbraw/zinc/96/14/24/558961424.db2.gz OWJNIHMAZFLPDY-UHFFFAOYSA-N 1 1 424.471 2.997 40 0 HFABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cc(NC)ncn4)n3)C2)cn1 ZINC000072378084 558967359 /nfs/dbraw/zinc/96/73/59/558967359.db2.gz JXURKUSEKCEWRA-MRXNPFEDSA-N 1 1 405.510 2.784 40 0 HFABMO O=C(CNC(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1)N1CCCCC1 ZINC000019705991 558968446 /nfs/dbraw/zinc/96/84/46/558968446.db2.gz PTESNEHGPCGJKW-HXUWFJFHSA-N 1 1 421.545 2.599 40 0 HFABMO Cn1c(=O)cc(C(=O)N[C@@H](CC[NH+]2CCOCC2)c2ccccc2)c2ccccc21 ZINC000019714355 558974175 /nfs/dbraw/zinc/97/41/75/558974175.db2.gz GRXWEKGRHJWFCT-NRFANRHFSA-N 1 1 405.498 2.732 40 0 HFABMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000077271220 559000172 /nfs/dbraw/zinc/00/01/72/559000172.db2.gz YJRJYYPXNAHNMD-LILSUDLASA-N 1 1 401.595 2.713 40 0 in-vitro HFABMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000077271220 559000173 /nfs/dbraw/zinc/00/01/73/559000173.db2.gz YJRJYYPXNAHNMD-LILSUDLASA-N 1 1 401.595 2.713 40 0 in-vitro HFABMO CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)cc1 ZINC000585106049 559028269 /nfs/dbraw/zinc/02/82/69/559028269.db2.gz HPZBBBDTBJGVHA-YADHBBJMSA-N 1 1 424.589 2.595 40 0 HFABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106008 559028298 /nfs/dbraw/zinc/02/82/98/559028298.db2.gz CSCNLYKOGBZXEN-MOPGFXCFSA-N 1 1 417.981 2.968 40 0 HFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106301 559028659 /nfs/dbraw/zinc/02/86/59/559028659.db2.gz PJVAJTWOOLMERP-MSOLQXFVSA-N 1 1 419.953 2.801 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccccn1)CC3 ZINC000096036328 559090015 /nfs/dbraw/zinc/09/00/15/559090015.db2.gz XDDVWPNQDFYNOL-GBXCKJPGSA-N 1 1 410.562 2.658 40 0 HFABMO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036473 559090318 /nfs/dbraw/zinc/09/03/18/559090318.db2.gz YDQKZLGVXNBDOL-RUZDIDTESA-N 1 1 419.573 2.813 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000096036473 559090319 /nfs/dbraw/zinc/09/03/19/559090319.db2.gz YDQKZLGVXNBDOL-RUZDIDTESA-N 1 1 419.573 2.813 40 0 HFABMO COc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC000096049821 559092103 /nfs/dbraw/zinc/09/21/03/559092103.db2.gz WGBZNCORULNMDQ-NRFANRHFSA-N 1 1 403.548 2.564 40 0 HFABMO COc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)cc1 ZINC000096049821 559092105 /nfs/dbraw/zinc/09/21/05/559092105.db2.gz WGBZNCORULNMDQ-NRFANRHFSA-N 1 1 403.548 2.564 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095166 /nfs/dbraw/zinc/09/51/66/559095166.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 1 1 411.571 2.656 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000096090575 559095168 /nfs/dbraw/zinc/09/51/68/559095168.db2.gz BJOQEGDXVHMAMJ-REWPJTCUSA-N 1 1 411.571 2.656 40 0 HFABMO O=S(=O)(c1ccccc1F)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096239905 559103535 /nfs/dbraw/zinc/10/35/35/559103535.db2.gz CILADJFHZDMAEI-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO O=S(=O)(c1ccccc1F)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239905 559103537 /nfs/dbraw/zinc/10/35/37/559103537.db2.gz CILADJFHZDMAEI-UHFFFAOYSA-N 1 1 419.522 2.524 40 0 HFABMO Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CC1)N(C(=O)c1ccccc1)CCS2(=O)=O ZINC000096251615 559105524 /nfs/dbraw/zinc/10/55/24/559105524.db2.gz KUOUVXYNIIZKTO-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC1)N(C(=O)c1ccccc1)CCS2(=O)=O ZINC000096251615 559105526 /nfs/dbraw/zinc/10/55/26/559105526.db2.gz KUOUVXYNIIZKTO-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cccnc1)CC3 ZINC000096262457 559106532 /nfs/dbraw/zinc/10/65/32/559106532.db2.gz ZIVWVGMUKCZDAJ-GBXCKJPGSA-N 1 1 410.562 2.658 40 0 HFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 ZINC000585262689 559110751 /nfs/dbraw/zinc/11/07/51/559110751.db2.gz SQIIEKKRNFELAR-AWEZNQCLSA-N 1 1 403.552 2.921 40 0 HFABMO Cc1cc(O[C@H]2C[N@@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)cc(C)c1C ZINC000585268710 559113534 /nfs/dbraw/zinc/11/35/34/559113534.db2.gz LJVLDBZSKOBYOV-ZEQRLZLVSA-N 1 1 415.530 2.624 40 0 HFABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282746 559120235 /nfs/dbraw/zinc/12/02/35/559120235.db2.gz NITSQZMEZPKXNZ-HSZRJFAPSA-N 1 1 404.551 2.537 40 0 HFABMO COc1cccc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](CC5CC5)CCN4C)n3c2)c1 ZINC000107189274 559164827 /nfs/dbraw/zinc/16/48/27/559164827.db2.gz GUQOQIWQBNKPEC-FQEVSTJZSA-N 1 1 420.517 2.689 40 0 HFABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(I)c1O ZINC000006953489 559229412 /nfs/dbraw/zinc/22/94/12/559229412.db2.gz HOUUAVVGCHSLNY-UHFFFAOYSA-N 1 1 420.316 2.709 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403345 560546861 /nfs/dbraw/zinc/54/68/61/560546861.db2.gz IJDBNMKEDOCCEK-KNQAVFIVSA-N 1 1 407.514 2.525 40 0 HFABMO O=C(Nc1ccccc1-c1ccccc1)NC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000004411480 560606866 /nfs/dbraw/zinc/60/68/66/560606866.db2.gz KPMQHQWJLMZUBS-UHFFFAOYSA-N 1 1 422.529 2.798 40 0 HFABMO C[NH+]1CCN(c2ncc3c(ccn(CCc4c[nH]c5ccc(Cl)cc45)c3=O)n2)CC1 ZINC000009290412 560757839 /nfs/dbraw/zinc/75/78/39/560757839.db2.gz VJDAYASDNUUIIN-UHFFFAOYSA-N 1 1 422.920 2.921 40 0 HFABMO COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140264 560881277 /nfs/dbraw/zinc/88/12/77/560881277.db2.gz UFISWOBBQDHJIY-QFIPXVFZSA-N 1 1 406.534 2.535 40 0 HFABMO CCOc1ncc(C2(O)CC[NH+](Cc3cccc(OC)c3OC)CC2)c(OCC)n1 ZINC000057743836 568495635 /nfs/dbraw/zinc/49/56/35/568495635.db2.gz FUDCZBDJXCMCFS-UHFFFAOYSA-N 1 1 417.506 2.775 40 0 HFABMO COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224755160 568595535 /nfs/dbraw/zinc/59/55/35/568595535.db2.gz JVBWSMCVCPLDED-UHFFFAOYSA-N 1 1 410.923 2.659 40 0 HFABMO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257217508 568781225 /nfs/dbraw/zinc/78/12/25/568781225.db2.gz CZGQNKGKHLAKHX-NRFANRHFSA-N 1 1 410.547 2.924 40 0 HFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257241314 568787881 /nfs/dbraw/zinc/78/78/81/568787881.db2.gz HXPQQVCVSVQWNQ-DEOSSOPVSA-N 1 1 421.545 2.530 40 0 HFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257241314 568787883 /nfs/dbraw/zinc/78/78/83/568787883.db2.gz HXPQQVCVSVQWNQ-DEOSSOPVSA-N 1 1 421.545 2.530 40 0 HFABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243248 568788322 /nfs/dbraw/zinc/78/83/22/568788322.db2.gz IGBCHTKVGWVEMZ-SFHVURJKSA-N 1 1 424.545 2.975 40 0 HFABMO O=C(C[NH+]1CCCC1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257247908 568789764 /nfs/dbraw/zinc/78/97/64/568789764.db2.gz JBCPERMBGIRNDB-HXUWFJFHSA-N 1 1 418.925 2.680 40 0 HFABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)c2cccnc21 ZINC000257274295 568796983 /nfs/dbraw/zinc/79/69/83/568796983.db2.gz NKKBGGRXSCTSPA-QGZVFWFLSA-N 1 1 423.565 2.968 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124184 568887235 /nfs/dbraw/zinc/88/72/35/568887235.db2.gz BIQKRLOSIWIFIY-IAGOWNOFSA-N 1 1 421.476 2.982 40 0 HFABMO O=C(NCc1ccccc1)C1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306129860 568892264 /nfs/dbraw/zinc/89/22/64/568892264.db2.gz IOZMRFPRZNGVLE-GOTSBHOMSA-N 1 1 418.541 2.859 40 0 HFABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306132810 568894981 /nfs/dbraw/zinc/89/49/81/568894981.db2.gz LSRCBYZWVBRSTF-IBGZPJMESA-N 1 1 409.538 2.723 40 0 HFABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cn1 ZINC000306138786 568900553 /nfs/dbraw/zinc/90/05/53/568900553.db2.gz SHNJHNGWUCIZQU-NZQKXSOJSA-N 1 1 410.566 2.909 40 0 HFABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccco2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306138832 568900663 /nfs/dbraw/zinc/90/06/63/568900663.db2.gz SIQFYDHQGRMNGC-NZQKXSOJSA-N 1 1 405.502 2.817 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)cc1 ZINC000306144173 568905681 /nfs/dbraw/zinc/90/56/81/568905681.db2.gz YXZUJLWGJQNHFF-UPVQGACJSA-N 1 1 407.514 2.697 40 0 HFABMO CCS(=O)(=O)N[C@@H](C)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546889 569050132 /nfs/dbraw/zinc/05/01/32/569050132.db2.gz IEFGRADEUAHHMH-PXNSSMCTSA-N 1 1 407.605 2.935 40 0 HFABMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198492 569058939 /nfs/dbraw/zinc/05/89/39/569058939.db2.gz APOCTQBTQNWTOI-OSOIDXKESA-N 1 1 418.541 2.887 40 0 HFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000245229692 569313784 /nfs/dbraw/zinc/31/37/84/569313784.db2.gz DDRDDUOQMUYICI-VLIAUNLRSA-N 1 1 417.506 2.749 40 0 HFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000245229692 569313786 /nfs/dbraw/zinc/31/37/86/569313786.db2.gz DDRDDUOQMUYICI-VLIAUNLRSA-N 1 1 417.506 2.749 40 0 HFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249703413 569316906 /nfs/dbraw/zinc/31/69/06/569316906.db2.gz ZTQDARNKWLARFX-SESVDKBCSA-N 1 1 410.562 2.605 40 0 HFABMO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339304 569345421 /nfs/dbraw/zinc/34/54/21/569345421.db2.gz IQLXDQZMZBBSFA-WIYYLYMNSA-N 1 1 419.529 2.743 40 0 HFABMO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339304 569345422 /nfs/dbraw/zinc/34/54/22/569345422.db2.gz IQLXDQZMZBBSFA-WIYYLYMNSA-N 1 1 419.529 2.743 40 0 HFABMO c1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)ccn1 ZINC000019405690 132467270 /nfs/dbraw/zinc/46/72/70/132467270.db2.gz BYXODLRNBQEJRG-ICSRJNTNSA-N 1 1 409.534 2.591 40 0 HFABMO CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503588 520539912 /nfs/dbraw/zinc/53/99/12/520539912.db2.gz KBVUUTDALNTTOV-DLBZAZTESA-N 1 1 419.522 2.758 40 0 biogenic,in-vitro HFABMO CCc1[nH+]ccn1CCC(=O)Nc1ccccc1[C@H]1NC(=O)c2cccnc2N1C ZINC000072347387 522583165 /nfs/dbraw/zinc/58/31/65/522583165.db2.gz GWEVBHBMRLLMQH-NRFANRHFSA-N 1 1 404.474 2.748 40 0 HFABMO O=C(CC[N@@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@H]2C=C[C@@H](O)[C@H]3O5)c1ccccc1 ZINC000005495696 557657725 /nfs/dbraw/zinc/65/77/25/557657725.db2.gz WPQGFQRTZVKRLK-LAPCYIMJSA-N 1 1 403.478 2.841 40 0 HFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035895191 557829475 /nfs/dbraw/zinc/82/94/75/557829475.db2.gz OKWVSEAJCQWYPN-QOEFQVSFSA-N 1 1 423.513 2.642 40 0 HFABMO CCc1nn(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2cc3ccsc3n21 ZINC000012114307 558327351 /nfs/dbraw/zinc/32/73/51/558327351.db2.gz ULBHZPHCOSPAPL-HNNXBMFYSA-N 1 1 415.563 2.511 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cnc(C)nc3)C1)O2 ZINC000012235384 558358533 /nfs/dbraw/zinc/35/85/33/558358533.db2.gz FHTPZEHCBQTDKZ-CVDCTZTESA-N 1 1 410.518 2.815 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000020489744 558377502 /nfs/dbraw/zinc/37/75/02/558377502.db2.gz AFXHABMTBLTSQJ-UHFFFAOYSA-N 1 1 410.499 2.786 40 0 HFABMO COc1ccc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000036734514 558801250 /nfs/dbraw/zinc/80/12/50/558801250.db2.gz DIFOXHHUTGAHPN-NQIIRXRSSA-N 1 1 423.513 2.572 40 0 HFABMO COc1ccc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)CC2=O)c(OC)c1 ZINC000036734514 558801251 /nfs/dbraw/zinc/80/12/51/558801251.db2.gz DIFOXHHUTGAHPN-NQIIRXRSSA-N 1 1 423.513 2.572 40 0 HFABMO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCC[N@H+](Cc4cccc(C)n4)CC1)(C3)C2 ZINC000019236264 558855476 /nfs/dbraw/zinc/85/54/76/558855476.db2.gz NAYKXUBJXNXVPK-JUJAOGAQSA-N 1 1 424.589 2.899 40 0 HFABMO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCC[N@@H+](Cc4cccc(C)n4)CC1)(C3)C2 ZINC000019236264 558855478 /nfs/dbraw/zinc/85/54/78/558855478.db2.gz NAYKXUBJXNXVPK-JUJAOGAQSA-N 1 1 424.589 2.899 40 0 HFABMO Cc1[nH+]ccn1CCC(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019288033 558861232 /nfs/dbraw/zinc/86/12/32/558861232.db2.gz OHKRGJCDYYBYBO-UHFFFAOYSA-N 1 1 411.531 2.875 40 0 HFABMO Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019289138 558862102 /nfs/dbraw/zinc/86/21/02/558862102.db2.gz QVDCLRCVAMVUEC-LJQANCHMSA-N 1 1 424.549 2.974 40 0 HFABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019292902 558864779 /nfs/dbraw/zinc/86/47/79/558864779.db2.gz ZQGVNZPPIJXYGW-OAHLLOKOSA-N 1 1 405.445 2.929 40 0 HFABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019292902 558864781 /nfs/dbraw/zinc/86/47/81/558864781.db2.gz ZQGVNZPPIJXYGW-OAHLLOKOSA-N 1 1 405.445 2.929 40 0 HFABMO O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019333167 558868990 /nfs/dbraw/zinc/86/89/90/558868990.db2.gz KZFYFJDIJPSBEQ-QGZVFWFLSA-N 1 1 424.520 2.768 40 0 HFABMO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339312 558871040 /nfs/dbraw/zinc/87/10/40/558871040.db2.gz JMYUSWIHHRBBHR-HXUWFJFHSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339312 558871042 /nfs/dbraw/zinc/87/10/42/558871042.db2.gz JMYUSWIHHRBBHR-HXUWFJFHSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4ccccc4F)C3)nc2C1 ZINC000019348842 558874574 /nfs/dbraw/zinc/87/45/74/558874574.db2.gz JSJGFEOIVPEKRP-QGZVFWFLSA-N 1 1 410.493 2.583 40 0 HFABMO O=C1CCCC[C@]2(C[N@@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccn2)N1 ZINC000019402276 558883742 /nfs/dbraw/zinc/88/37/42/558883742.db2.gz BYOBZVFIXPYLHW-GBXCKJPGSA-N 1 1 420.561 2.890 40 0 HFABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451463 558889618 /nfs/dbraw/zinc/88/96/18/558889618.db2.gz WZJMAPOCCNAORX-OXJNMPFZSA-N 1 1 408.502 2.989 40 0 HFABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451463 558889622 /nfs/dbraw/zinc/88/96/22/558889622.db2.gz WZJMAPOCCNAORX-OXJNMPFZSA-N 1 1 408.502 2.989 40 0 HFABMO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000019451477 558889684 /nfs/dbraw/zinc/88/96/84/558889684.db2.gz GNXOUDILVVPRFQ-JOCHJYFZSA-N 1 1 422.504 2.974 40 0 HFABMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000019451477 558889687 /nfs/dbraw/zinc/88/96/87/558889687.db2.gz GNXOUDILVVPRFQ-JOCHJYFZSA-N 1 1 422.504 2.974 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000019497598 558896459 /nfs/dbraw/zinc/89/64/59/558896459.db2.gz AAIDJZBTZTVBNF-IYBDPMFKSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000019497598 558896463 /nfs/dbraw/zinc/89/64/63/558896463.db2.gz AAIDJZBTZTVBNF-IYBDPMFKSA-N 1 1 405.502 2.902 40 0 HFABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501595 558899730 /nfs/dbraw/zinc/89/97/30/558899730.db2.gz XRPJXXJBJXMXDW-KRWDZBQOSA-N 1 1 412.509 2.973 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)c(OC)c1 ZINC000019552520 558916009 /nfs/dbraw/zinc/91/60/09/558916009.db2.gz CNDWGOGQRXJERS-REWPJTCUSA-N 1 1 414.477 2.718 40 0 HFABMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334318 558935399 /nfs/dbraw/zinc/93/53/99/558935399.db2.gz VLVBQVVYMWIDMD-RDPSFJRHSA-N 1 1 424.497 2.641 40 0 HFABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334318 558935400 /nfs/dbraw/zinc/93/54/00/558935400.db2.gz VLVBQVVYMWIDMD-RDPSFJRHSA-N 1 1 424.497 2.641 40 0 HFABMO COc1ccc(/C=C/C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335687 558936906 /nfs/dbraw/zinc/93/69/06/558936906.db2.gz BYOLZAXNZSWWLA-XLYSIVADSA-N 1 1 410.518 2.876 40 0 HFABMO COc1ccc(/C=C/C[N@H+]2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335687 558936908 /nfs/dbraw/zinc/93/69/08/558936908.db2.gz BYOLZAXNZSWWLA-XLYSIVADSA-N 1 1 410.518 2.876 40 0 HFABMO CN(C)c1ncc(C[NH+]2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)cn1 ZINC000019585495 558939040 /nfs/dbraw/zinc/93/90/40/558939040.db2.gz XMARLVJMANKHIO-NRFANRHFSA-N 1 1 408.550 2.807 40 0 HFABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)[nH]n1 ZINC000072371486 558958375 /nfs/dbraw/zinc/95/83/75/558958375.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 1 1 422.533 2.885 40 0 HFABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371486 558958378 /nfs/dbraw/zinc/95/83/78/558958378.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 1 1 422.533 2.885 40 0 HFABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)nc3)C2)n[nH]1 ZINC000072371486 558958380 /nfs/dbraw/zinc/95/83/80/558958380.db2.gz YRDSMZQEAZLZOY-GOSISDBHSA-N 1 1 422.533 2.885 40 0 HFABMO COCC[N@@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000072391961 558971693 /nfs/dbraw/zinc/97/16/93/558971693.db2.gz FHSISRUGBRMSQT-UHFFFAOYSA-N 1 1 422.529 2.652 40 0 HFABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2)C(C)C ZINC000585104215 559026365 /nfs/dbraw/zinc/02/63/65/559026365.db2.gz MYNZMDKKXFZPQF-NRFANRHFSA-N 1 1 404.551 2.689 40 0 HFABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103249 559026554 /nfs/dbraw/zinc/02/65/54/559026554.db2.gz APTONOXBOMNECJ-OAQYLSRUSA-N 1 1 400.548 2.912 40 0 HFABMO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)c(F)c1 ZINC000585103336 559026565 /nfs/dbraw/zinc/02/65/65/559026565.db2.gz CBOOFAVOSMRBGU-HXUWFJFHSA-N 1 1 405.495 2.542 40 0 HFABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)c(F)c1 ZINC000585103336 559026566 /nfs/dbraw/zinc/02/65/66/559026566.db2.gz CBOOFAVOSMRBGU-HXUWFJFHSA-N 1 1 405.495 2.542 40 0 HFABMO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103162 559026568 /nfs/dbraw/zinc/02/65/68/559026568.db2.gz DZEKBMPSTNKACA-VQTJNVASSA-N 1 1 400.519 2.644 40 0 HFABMO COC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103162 559026569 /nfs/dbraw/zinc/02/65/69/559026569.db2.gz DZEKBMPSTNKACA-VQTJNVASSA-N 1 1 400.519 2.644 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1F ZINC000585106203 559028502 /nfs/dbraw/zinc/02/85/02/559028502.db2.gz DBIDHXKODLQNLY-RTWAWAEBSA-N 1 1 421.516 2.987 40 0 HFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106181 559028537 /nfs/dbraw/zinc/02/85/37/559028537.db2.gz VUQZLOHMPPDKCW-QRQLOZEOSA-N 1 1 417.981 2.968 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)s1 ZINC000585106271 559028710 /nfs/dbraw/zinc/02/87/10/559028710.db2.gz KJVZINDBIBZQJD-MSOLQXFVSA-N 1 1 401.576 2.899 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1cccnc1)C2 ZINC000096036262 559089802 /nfs/dbraw/zinc/08/98/02/559089802.db2.gz JLQHWEWZUVLWDR-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1cccnc1)C2 ZINC000096036262 559089804 /nfs/dbraw/zinc/08/98/04/559089804.db2.gz JLQHWEWZUVLWDR-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144156 559096467 /nfs/dbraw/zinc/09/64/67/559096467.db2.gz LLSVPUNYQFCNMK-DEOSSOPVSA-N 1 1 408.546 2.868 40 0 HFABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cncc(C)c2)CC3)C1=O ZINC000096144311 559096687 /nfs/dbraw/zinc/09/66/87/559096687.db2.gz KBGMINLWRNJKJB-DEOSSOPVSA-N 1 1 412.578 2.823 40 0 HFABMO Cc1ccc(C)c(Cn2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000096306534 559109295 /nfs/dbraw/zinc/10/92/95/559109295.db2.gz JKJDRIBRTFFBGL-IAGOWNOFSA-N 1 1 423.561 2.577 40 0 HFABMO O=C(c1ccccc1C[NH+]1CCCCC1)N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1 ZINC000585261877 559109523 /nfs/dbraw/zinc/10/95/23/559109523.db2.gz HLNTWOWMCCMDBT-DQEYMECFSA-N 1 1 419.569 2.916 40 0 HFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 ZINC000585262690 559110737 /nfs/dbraw/zinc/11/07/37/559110737.db2.gz SQIIEKKRNFELAR-CQSZACIVSA-N 1 1 403.552 2.921 40 0 HFABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269961 559116196 /nfs/dbraw/zinc/11/61/96/559116196.db2.gz RCAQNXUCJQNKIH-IBGZPJMESA-N 1 1 419.518 2.991 40 0 HFABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273481 559117459 /nfs/dbraw/zinc/11/74/59/559117459.db2.gz OODHCQRSMAFYMZ-JOCHJYFZSA-N 1 1 404.457 2.877 40 0 HFABMO CC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC(C)C)C(=O)C1 ZINC000514287559 559233642 /nfs/dbraw/zinc/23/36/42/559233642.db2.gz LOUXWLRBUJLVGH-UZUFYEDSSA-N 1 1 413.562 2.837 40 0 HFABMO CC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC(C)C)C(=O)C1 ZINC000514287559 559233645 /nfs/dbraw/zinc/23/36/45/559233645.db2.gz LOUXWLRBUJLVGH-UZUFYEDSSA-N 1 1 413.562 2.837 40 0 HFABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257241904 559284190 /nfs/dbraw/zinc/28/41/90/559284190.db2.gz IAEBQSOXVVMAHC-XMMPIXPASA-N 1 1 419.529 2.914 40 0 HFABMO COc1ccc(NC(=O)NC2(C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCCCC2)cc1 ZINC000004982006 560623094 /nfs/dbraw/zinc/62/30/94/560623094.db2.gz RLRWWQUCRQGFIR-SFHVURJKSA-N 1 1 400.523 2.826 40 0 HFABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409241866 560702485 /nfs/dbraw/zinc/70/24/85/560702485.db2.gz PAJIZBRPFDYSKK-UHFFFAOYSA-N 1 1 413.543 2.944 40 0 HFABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499543 560873433 /nfs/dbraw/zinc/87/34/33/560873433.db2.gz SADUHLYFOUONOF-FQEVSTJZSA-N 1 1 423.565 2.613 40 0 HFABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2F)CC1 ZINC000019528089 560874787 /nfs/dbraw/zinc/87/47/87/560874787.db2.gz UVQJAYHHYGOGAO-OAQYLSRUSA-N 1 1 410.497 2.596 40 0 HFABMO O=c1[nH]c2ccc(S(=O)(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)cc2o1 ZINC000223028769 568534793 /nfs/dbraw/zinc/53/47/93/568534793.db2.gz RLPBFJMNEPGLAU-UHFFFAOYSA-N 1 1 418.862 2.713 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000224233475 568574694 /nfs/dbraw/zinc/57/46/94/568574694.db2.gz TZSMOUIAHUOKRD-UHFFFAOYSA-N 1 1 421.950 2.943 40 0 HFABMO CCN(c1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224360864 568579127 /nfs/dbraw/zinc/57/91/27/568579127.db2.gz CJVFMCBULVZPHJ-UHFFFAOYSA-N 1 1 401.532 2.680 40 0 HFABMO COC(=O)CSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000225475754 568641410 /nfs/dbraw/zinc/64/14/10/568641410.db2.gz ZCIZCFOVUMVISA-CYBMUJFWSA-N 1 1 424.523 2.793 40 0 HFABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202303 568776787 /nfs/dbraw/zinc/77/67/87/568776787.db2.gz ALFBLGQKGPSJNT-QHCPKHFHSA-N 1 1 416.525 2.832 40 0 HFABMO O=C(c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)N1CCOCC1 ZINC000257286823 568800731 /nfs/dbraw/zinc/80/07/31/568800731.db2.gz PNEWNRPQTDHETD-SFHVURJKSA-N 1 1 405.502 2.810 40 0 HFABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(=O)[nH]c(N)n1)[C@H]2Cc1ccccc1 ZINC000257307243 568806685 /nfs/dbraw/zinc/80/66/85/568806685.db2.gz SXVCQRSOQJEVJE-VOSKCVMKSA-N 1 1 421.545 2.853 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000257329793 568813062 /nfs/dbraw/zinc/81/30/62/568813062.db2.gz XLOHRFBLJFGGAD-XMMPIXPASA-N 1 1 418.578 2.956 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306124186 568887280 /nfs/dbraw/zinc/88/72/80/568887280.db2.gz BIQKRLOSIWIFIY-SJORKVTESA-N 1 1 421.476 2.982 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306126338 568889164 /nfs/dbraw/zinc/88/91/64/568889164.db2.gz DSZGIHYUTIXSTI-RTWAWAEBSA-N 1 1 401.514 2.555 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306126704 568889490 /nfs/dbraw/zinc/88/94/90/568889490.db2.gz FCTAFGHCCDETEJ-PMACEKPBSA-N 1 1 417.513 2.521 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306126706 568889591 /nfs/dbraw/zinc/88/95/91/568889591.db2.gz FCTAFGHCCDETEJ-VQTJNVASSA-N 1 1 417.513 2.521 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130358 568892763 /nfs/dbraw/zinc/89/27/63/568892763.db2.gz JDKBTWHNXDXAHP-NOZRDPDXSA-N 1 1 414.509 2.874 40 0 HFABMO CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133891 568895915 /nfs/dbraw/zinc/89/59/15/568895915.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133891 568895917 /nfs/dbraw/zinc/89/59/17/568895917.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccs2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306133891 568895919 /nfs/dbraw/zinc/89/59/19/568895919.db2.gz MYPBWZGBZMZKSP-RTWAWAEBSA-N 1 1 419.616 2.764 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306136006 568898031 /nfs/dbraw/zinc/89/80/31/568898031.db2.gz PGJFWCYTMSLNTL-IRXDYDNUSA-N 1 1 418.501 2.547 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306138237 568900118 /nfs/dbraw/zinc/90/01/18/568900118.db2.gz RSXRIJIMUMDSEM-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306142293 568903733 /nfs/dbraw/zinc/90/37/33/568903733.db2.gz WVMSNBNZUDXNJS-NOZRDPDXSA-N 1 1 414.509 2.874 40 0 HFABMO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022467442 569042590 /nfs/dbraw/zinc/04/25/90/569042590.db2.gz SLFYAJZFXLZXCB-NRFANRHFSA-N 1 1 412.530 2.898 40 0 HFABMO COc1ccc(C)cc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133186 569345277 /nfs/dbraw/zinc/34/52/77/569345277.db2.gz RNBMAWZXLBZPRO-PXDATVDWSA-N 1 1 421.541 2.639 40 0 HFABMO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3F)CC1)C2=O ZINC000019701312 569347287 /nfs/dbraw/zinc/34/72/87/569347287.db2.gz IYHOOXUFZMPNEU-UHFFFAOYSA-N 1 1 416.541 2.833 40 0 HFABMO COc1ncc(C[N@H+]2CC[C@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)cn1 ZINC000019708010 569348078 /nfs/dbraw/zinc/34/80/78/569348078.db2.gz FWXFCVRWUDJKBA-IBGZPJMESA-N 1 1 420.517 2.605 40 0 HFABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000020503538 575370097 /nfs/dbraw/zinc/37/00/97/575370097.db2.gz NWHLZTSKNSOBJW-AZUAARDMSA-N 1 1 420.557 2.987 40 0 biogenic,in-vitro HFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184757 132356202 /nfs/dbraw/zinc/35/62/02/132356202.db2.gz TZYYXZFSOYCCLX-SJORKVTESA-N 1 1 424.545 2.972 40 0 HFABMO O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036635264 527145302 /nfs/dbraw/zinc/14/53/02/527145302.db2.gz AQDFBWGMOVMJLY-IBGZPJMESA-N 1 1 409.511 2.990 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000408547780 557370530 /nfs/dbraw/zinc/37/05/30/557370530.db2.gz MSOLVQYAKQWCNN-UHFFFAOYSA-N 1 1 401.532 2.882 40 0 HFABMO Cc1c(C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741353 558262039 /nfs/dbraw/zinc/26/20/39/558262039.db2.gz JFRAGZQAGPMGHD-GOSISDBHSA-N 1 1 408.550 2.896 40 0 HFABMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000019749527 558269113 /nfs/dbraw/zinc/26/91/13/558269113.db2.gz XPAOESBXXLBZBK-HXUWFJFHSA-N 1 1 416.547 2.606 40 0 HFABMO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753206 558272514 /nfs/dbraw/zinc/27/25/14/558272514.db2.gz NJPGENPNHSVZOO-AWEZNQCLSA-N 1 1 401.898 2.568 40 0 HFABMO Cc1nc([C@H]2CC[N@H+](CC(=O)N(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753206 558272517 /nfs/dbraw/zinc/27/25/17/558272517.db2.gz NJPGENPNHSVZOO-AWEZNQCLSA-N 1 1 401.898 2.568 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760976 558276480 /nfs/dbraw/zinc/27/64/80/558276480.db2.gz ZKNLIPZCWTUCMN-AWEZNQCLSA-N 1 1 409.515 2.821 40 0 HFABMO COc1ccccc1/C=C/C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2cnc(OC)nc2OC)C1 ZINC000012407215 558398463 /nfs/dbraw/zinc/39/84/63/558398463.db2.gz XBBKFDYGJGAOPF-OHLJYHLKSA-N 1 1 411.502 2.745 40 0 HFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000022461509 558490972 /nfs/dbraw/zinc/49/09/72/558490972.db2.gz UCIWUQAFIWRWFY-GOSISDBHSA-N 1 1 416.591 2.812 40 0 HFABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000036741222 558802134 /nfs/dbraw/zinc/80/21/34/558802134.db2.gz BVLYZUXNIRKKNG-QFIPXVFZSA-N 1 1 408.546 2.872 40 0 HFABMO O=C(Cc1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000017083233 558815728 /nfs/dbraw/zinc/81/57/28/558815728.db2.gz PKSDLJZQJLNAFW-UHFFFAOYSA-N 1 1 405.542 2.812 40 0 HFABMO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000019214679 558849736 /nfs/dbraw/zinc/84/97/36/558849736.db2.gz BEJMEYWYEUSFOK-INIZCTEOSA-N 1 1 420.535 2.536 40 0 HFABMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c2ccccc21 ZINC000019449931 558888436 /nfs/dbraw/zinc/88/84/36/558888436.db2.gz KIIWAJNTDAHMKO-OAQYLSRUSA-N 1 1 412.578 2.853 40 0 HFABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451465 558889715 /nfs/dbraw/zinc/88/97/15/558889715.db2.gz WZJMAPOCCNAORX-OXQOHEQNSA-N 1 1 408.502 2.989 40 0 HFABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000019451465 558889716 /nfs/dbraw/zinc/88/97/16/558889716.db2.gz WZJMAPOCCNAORX-OXQOHEQNSA-N 1 1 408.502 2.989 40 0 HFABMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497025 558895966 /nfs/dbraw/zinc/89/59/66/558895966.db2.gz SLIBWIIPRUNMKY-QGZVFWFLSA-N 1 1 409.534 2.984 40 0 HFABMO COc1ccccc1C[N@H+]1CCC[C@@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570396 558929259 /nfs/dbraw/zinc/92/92/59/558929259.db2.gz XMHAQJHNFJWLKM-JOCHJYFZSA-N 1 1 416.543 2.884 40 0 HFABMO COc1ccc(/C=C/C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1 ZINC000072335688 558936950 /nfs/dbraw/zinc/93/69/50/558936950.db2.gz BYOLZAXNZSWWLA-ADDHZHGLSA-N 1 1 410.518 2.876 40 0 HFABMO COc1ccc(/C=C/C[N@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1 ZINC000072335688 558936951 /nfs/dbraw/zinc/93/69/51/558936951.db2.gz BYOLZAXNZSWWLA-ADDHZHGLSA-N 1 1 410.518 2.876 40 0 HFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cn(C)nc3C)C1)O2 ZINC000019583789 558938000 /nfs/dbraw/zinc/93/80/00/558938000.db2.gz RFUNNJPYRIUQHL-JPYJTQIMSA-N 1 1 412.534 2.759 40 0 HFABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019591926 558942827 /nfs/dbraw/zinc/94/28/27/558942827.db2.gz JQJUPSGKDFRXSJ-XMMPIXPASA-N 1 1 402.498 2.703 40 0 HFABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019591926 558942828 /nfs/dbraw/zinc/94/28/28/558942828.db2.gz JQJUPSGKDFRXSJ-XMMPIXPASA-N 1 1 402.498 2.703 40 0 HFABMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659198 558950746 /nfs/dbraw/zinc/95/07/46/558950746.db2.gz GRLMPCCOZMYSKX-GOSISDBHSA-N 1 1 411.550 2.521 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355196 558952626 /nfs/dbraw/zinc/95/26/26/558952626.db2.gz XXYUXOPNHPXPIW-HXUWFJFHSA-N 1 1 418.545 2.614 40 0 HFABMO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@H+](C)C2CCOCC2)n1 ZINC000019700831 558967172 /nfs/dbraw/zinc/96/71/72/558967172.db2.gz VPUPMRCHPYKUOM-HNNXBMFYSA-N 1 1 413.497 2.789 40 0 HFABMO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)C2CCOCC2)n1 ZINC000019700831 558967176 /nfs/dbraw/zinc/96/71/76/558967176.db2.gz VPUPMRCHPYKUOM-HNNXBMFYSA-N 1 1 413.497 2.789 40 0 HFABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 ZINC000019706692 558969078 /nfs/dbraw/zinc/96/90/78/558969078.db2.gz UBZMQUVNVDHYNR-MRXNPFEDSA-N 1 1 410.566 2.969 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000257299060 559009443 /nfs/dbraw/zinc/00/94/43/559009443.db2.gz ROOULFYYWGUYBD-SVFBPWRDSA-N 1 1 412.578 2.940 40 0 HFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104601 559027150 /nfs/dbraw/zinc/02/71/50/559027150.db2.gz RBWYCTQPEVULPI-KAGYGMCKSA-N 1 1 400.563 2.963 40 0 HFABMO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@H+](CC(C)C)C[C@@H]34)CC2)cc1 ZINC000585106036 559028272 /nfs/dbraw/zinc/02/82/72/559028272.db2.gz GQIRQOOWJDZMLO-RTWAWAEBSA-N 1 1 409.574 2.722 40 0 HFABMO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000585106217 559028594 /nfs/dbraw/zinc/02/85/94/559028594.db2.gz FNLJPBAZUALMJB-YADHBBJMSA-N 1 1 419.525 2.548 40 0 HFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106326 559028681 /nfs/dbraw/zinc/02/86/81/559028681.db2.gz VAPPNPISLBPUGZ-RTWAWAEBSA-N 1 1 409.574 2.866 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@@H]32)c1 ZINC000585107923 559029741 /nfs/dbraw/zinc/02/97/41/559029741.db2.gz FQPNANSMZMTTCH-YWZLYKJASA-N 1 1 408.470 2.868 40 0 HFABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@@H]32)c1 ZINC000585107923 559029743 /nfs/dbraw/zinc/02/97/43/559029743.db2.gz FQPNANSMZMTTCH-YWZLYKJASA-N 1 1 408.470 2.868 40 0 HFABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cccs1)CC3 ZINC000096036311 559089962 /nfs/dbraw/zinc/08/99/62/559089962.db2.gz QFDWJXYDYVNKFV-PGRDOPGGSA-N 1 1 401.576 2.935 40 0 HFABMO COc1cccc(CC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@H+]3Cc2ccccc2)c1 ZINC000096230327 559102889 /nfs/dbraw/zinc/10/28/89/559102889.db2.gz NHLIWXCUQDMSIO-UHFFFAOYSA-N 1 1 421.541 2.573 40 0 HFABMO COc1cccc(CC(=O)N2CCC3(CC2)C(=O)N(C)CC[N@@H+]3Cc2ccccc2)c1 ZINC000096230327 559102891 /nfs/dbraw/zinc/10/28/91/559102891.db2.gz NHLIWXCUQDMSIO-UHFFFAOYSA-N 1 1 421.541 2.573 40 0 HFABMO O=C(Nc1ccccc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262537 559106520 /nfs/dbraw/zinc/10/65/20/559106520.db2.gz KPTSGRDMBUSPHX-DEOSSOPVSA-N 1 1 419.529 2.718 40 0 HFABMO COc1cccc(C(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3cccnc3)CC2)c1 ZINC000096263611 559107213 /nfs/dbraw/zinc/10/72/13/559107213.db2.gz PEZIFAQHDWOXDQ-NFBKMPQASA-N 1 1 408.502 2.655 40 0 HFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000096268082 559108460 /nfs/dbraw/zinc/10/84/60/559108460.db2.gz SKXCDDFAHUBRQR-HXUWFJFHSA-N 1 1 410.566 2.833 40 0 HFABMO Cc1ccc(OC[C@]2(O)COCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000585273772 559118536 /nfs/dbraw/zinc/11/85/36/559118536.db2.gz UJJKMDZSGPPEAS-XMMPIXPASA-N 1 1 414.546 2.578 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccncc1)C2 ZINC000097952821 559124921 /nfs/dbraw/zinc/12/49/21/559124921.db2.gz VQHIQHIGEPIVOE-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccncc1)C2 ZINC000097952821 559124923 /nfs/dbraw/zinc/12/49/23/559124923.db2.gz VQHIQHIGEPIVOE-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325860 560741807 /nfs/dbraw/zinc/74/18/07/560741807.db2.gz XYHAFVZLKXEFEF-UHFFFAOYSA-N 1 1 415.559 2.663 40 0 HFABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499538 560873442 /nfs/dbraw/zinc/87/34/42/560873442.db2.gz DGOKFQHZADZNKF-HXUWFJFHSA-N 1 1 423.565 2.613 40 0 HFABMO c1ccc(C[NH+]2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140630 560881393 /nfs/dbraw/zinc/88/13/93/560881393.db2.gz QNGRWJFGRMPRSD-DHIUTWEWSA-N 1 1 418.545 2.759 40 0 HFABMO CCOc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742422 568495563 /nfs/dbraw/zinc/49/55/63/568495563.db2.gz BRNLMLPWINFGTR-UHFFFAOYSA-N 1 1 422.485 2.572 40 0 HFABMO CCOc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742422 568495564 /nfs/dbraw/zinc/49/55/64/568495564.db2.gz BRNLMLPWINFGTR-UHFFFAOYSA-N 1 1 422.485 2.572 40 0 HFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)C1 ZINC000223156345 568539657 /nfs/dbraw/zinc/53/96/57/568539657.db2.gz PUVBZIGICVOUKE-QGZVFWFLSA-N 1 1 413.559 2.610 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000224272024 568576046 /nfs/dbraw/zinc/57/60/46/568576046.db2.gz DNFGIKLUHXXGIK-UHFFFAOYSA-N 1 1 421.950 2.943 40 0 HFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225471747 568640947 /nfs/dbraw/zinc/64/09/47/568640947.db2.gz HZTSLZLXSVILLG-FQEVSTJZSA-N 1 1 421.607 2.858 40 0 HFABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)[nH+]1 ZINC000257200781 568776439 /nfs/dbraw/zinc/77/64/39/568776439.db2.gz AEVRHYDJLMKPEN-LJQANCHMSA-N 1 1 424.545 2.791 40 0 HFABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257213877 568780118 /nfs/dbraw/zinc/78/01/18/568780118.db2.gz CJKZPKYOIVNJLY-NRFANRHFSA-N 1 1 408.546 2.874 40 0 HFABMO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2[nH]1 ZINC000257227097 568784150 /nfs/dbraw/zinc/78/41/50/568784150.db2.gz FNPYWOGTLVSPRG-YADARESESA-N 1 1 417.513 2.948 40 0 HFABMO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2[nH]1 ZINC000257227097 568784152 /nfs/dbraw/zinc/78/41/52/568784152.db2.gz FNPYWOGTLVSPRG-YADARESESA-N 1 1 417.513 2.948 40 0 HFABMO CCn1cc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)c(C)n1 ZINC000257241447 568787902 /nfs/dbraw/zinc/78/79/02/568787902.db2.gz HYBIYPIXXGOCEE-IZIIKQMZSA-N 1 1 423.561 2.894 40 0 HFABMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257272825 568796316 /nfs/dbraw/zinc/79/63/16/568796316.db2.gz NEAVZKGYMKXRJR-UNMCSNQZSA-N 1 1 424.545 2.890 40 0 HFABMO O=C(NCCC[NH+]1CCOCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257280733 568798764 /nfs/dbraw/zinc/79/87/64/568798764.db2.gz OMCWVQVYBDDTOT-UHFFFAOYSA-N 1 1 423.557 2.926 40 0 HFABMO Cc1ccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)C[C@H]23)nc1 ZINC000257341240 568816457 /nfs/dbraw/zinc/81/64/57/568816457.db2.gz ZJMICIRRARDEBH-GPMSIDNRSA-N 1 1 405.502 2.699 40 0 HFABMO CCc1[nH]c(CN2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)c(C)[nH+]1 ZINC000306124191 568887308 /nfs/dbraw/zinc/88/73/08/568887308.db2.gz BISZMMYLYGYDQA-UTKZUKDTSA-N 1 1 417.579 2.989 40 0 HFABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306131593 568893894 /nfs/dbraw/zinc/89/38/94/568893894.db2.gz KJJYIUYJPPTEJW-ROUUACIJSA-N 1 1 405.506 2.612 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)c1 ZINC000306135160 568897029 /nfs/dbraw/zinc/89/70/29/568897029.db2.gz OJOVYBFMMGGODG-IAGOWNOFSA-N 1 1 421.476 2.982 40 0 HFABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000306136809 568898646 /nfs/dbraw/zinc/89/86/46/568898646.db2.gz QDYQFGBNTAUZCX-HZPDHXFCSA-N 1 1 406.465 2.677 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142825 568904433 /nfs/dbraw/zinc/90/44/33/568904433.db2.gz XLDHINRYTJVFGK-IRXDYDNUSA-N 1 1 421.476 2.982 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 ZINC000247887586 569315704 /nfs/dbraw/zinc/31/57/04/569315704.db2.gz SFHFTUGTFJFNDS-KPFBPEDLSA-N 1 1 405.445 2.892 40 0 HFABMO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@H+]3CCC[C@@H]3C1)[C@]1(C2)Nc2ccccc2C(=O)N1 ZINC000012142439 569344683 /nfs/dbraw/zinc/34/46/83/569344683.db2.gz FAOJJDMFNZOAEQ-FGOODKDYSA-N 1 1 408.546 2.671 40 0 HFABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219528 569344748 /nfs/dbraw/zinc/34/47/48/569344748.db2.gz NCCCWHSQAMPDHF-LJQANCHMSA-N 1 1 407.518 2.956 40 0 HFABMO COc1ccc(C)cc1C[N@H+]1C[C@@H](C(=O)N(C)C)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019133182 569345338 /nfs/dbraw/zinc/34/53/38/569345338.db2.gz RNBMAWZXLBZPRO-SQJMNOBHSA-N 1 1 421.541 2.639 40 0 HFABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4CC(C)(C)C)n3)ccn2)CC1 ZINC000049154988 291215253 /nfs/dbraw/zinc/21/52/53/291215253.db2.gz WIPGCAPKRMXRNV-SFHVURJKSA-N 1 1 412.538 2.983 40 0 biogenic,in-vitro HFABMO Nc1c(C(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1C(=O)c1ccc(F)cc1 ZINC000032615550 527426133 /nfs/dbraw/zinc/42/61/33/527426133.db2.gz JVMXSOHGGLKHER-UHFFFAOYSA-N 1 1 424.476 2.503 40 0 HFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1 ZINC000035807131 557824937 /nfs/dbraw/zinc/82/49/37/557824937.db2.gz DOMWJOMKBNBKDW-URZJWIJPSA-N 1 1 409.530 2.557 40 0 HFABMO Cc1nc(C2CC[NH+](CC(=O)N3CCCC3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019766309 558278527 /nfs/dbraw/zinc/27/85/27/558278527.db2.gz QHQLCKGIJFDGSA-UHFFFAOYSA-N 1 1 407.518 2.839 40 0 HFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000012088085 558322871 /nfs/dbraw/zinc/32/28/71/558322871.db2.gz UMEUXOFQVVDZIK-UHFFFAOYSA-N 1 1 410.478 2.953 40 0 HFABMO Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn(C)c3ccc(F)cc23)n1 ZINC000012134002 558333442 /nfs/dbraw/zinc/33/34/42/558333442.db2.gz HQFHEAPOPVJEEF-LIMIJEPZSA-N 1 1 410.493 2.741 40 0 HFABMO CC1(C)CCC[N@@H+](CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000012220942 558355703 /nfs/dbraw/zinc/35/57/03/558355703.db2.gz DZWWXDURLGAAIT-GOSISDBHSA-N 1 1 400.567 2.798 40 0 HFABMO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012362146 558387124 /nfs/dbraw/zinc/38/71/24/558387124.db2.gz FEYSJGVFFDBGQZ-IBGZPJMESA-N 1 1 413.543 2.675 40 0 HFABMO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012362146 558387125 /nfs/dbraw/zinc/38/71/25/558387125.db2.gz FEYSJGVFFDBGQZ-IBGZPJMESA-N 1 1 413.543 2.675 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)n1 ZINC000019236327 558855438 /nfs/dbraw/zinc/85/54/38/558855438.db2.gz ARHSPJOTZAIGJC-SFTDATJTSA-N 1 1 422.577 2.911 40 0 HFABMO Cc1ccccc1OCC[NH+]1CCN(Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000019237415 558856639 /nfs/dbraw/zinc/85/66/39/558856639.db2.gz QFXOIKMFJZNQHS-UHFFFAOYSA-N 1 1 406.530 2.632 40 0 HFABMO COc1ccc([C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H](C)C3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285473 558859914 /nfs/dbraw/zinc/85/99/14/558859914.db2.gz COQDUNVHZGWNMK-TYCQWZJGSA-N 1 1 424.545 2.528 40 0 HFABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cc4c([nH]c3=O)CCC4)ccc21 ZINC000019289831 558862365 /nfs/dbraw/zinc/86/23/65/558862365.db2.gz QUHGQHYCJBLPRK-UHFFFAOYSA-N 1 1 405.502 2.989 40 0 HFABMO COc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)nc(OC)n1 ZINC000019289829 558862373 /nfs/dbraw/zinc/86/23/73/558862373.db2.gz SZRRFNJKVIHRJF-UHFFFAOYSA-N 1 1 410.478 2.619 40 0 HFABMO Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)cn1 ZINC000019290561 558863050 /nfs/dbraw/zinc/86/30/50/558863050.db2.gz ZOOHBVNFLLHWQB-FQEVSTJZSA-N 1 1 424.549 2.562 40 0 HFABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](C4CCCC4)C3)nc2C1 ZINC000019347673 558873949 /nfs/dbraw/zinc/87/39/49/558873949.db2.gz SCFVWUUVWUIXLP-OAHLLOKOSA-N 1 1 410.493 2.839 40 0 HFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc2C1 ZINC000019348844 558874637 /nfs/dbraw/zinc/87/46/37/558874637.db2.gz JSJGFEOIVPEKRP-KRWDZBQOSA-N 1 1 410.493 2.583 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349031 558874860 /nfs/dbraw/zinc/87/48/60/558874860.db2.gz ZDEJWVJQSICMKQ-KRWDZBQOSA-N 1 1 410.493 2.583 40 0 HFABMO O=C(NCCn1ccnc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372573 558879912 /nfs/dbraw/zinc/87/99/12/558879912.db2.gz NKUAHDWVRCRPQW-FGZHOGPDSA-N 1 1 420.488 2.770 40 0 HFABMO O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019406118 558885039 /nfs/dbraw/zinc/88/50/39/558885039.db2.gz IPLGQSSSQVAVMV-HXUWFJFHSA-N 1 1 424.549 2.823 40 0 HFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)NCCc4cccc(F)c4)ccc3c(=O)n2CC1 ZINC000019448623 558887400 /nfs/dbraw/zinc/88/74/00/558887400.db2.gz OCFQBNNLOQIYDD-UHFFFAOYSA-N 1 1 422.504 2.775 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5cc[nH]n5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495963 558894853 /nfs/dbraw/zinc/89/48/53/558894853.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 1 1 424.549 2.862 40 0 HFABMO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccn[nH]5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495963 558894855 /nfs/dbraw/zinc/89/48/55/558894855.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 1 1 424.549 2.862 40 0 HFABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)c5ccn[nH]5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495963 558894856 /nfs/dbraw/zinc/89/48/56/558894856.db2.gz XVQOCILAZGJELC-AQFXKWCLSA-N 1 1 424.549 2.862 40 0 HFABMO CCc1ncc(CN2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cn1 ZINC000019523404 558904706 /nfs/dbraw/zinc/90/47/06/558904706.db2.gz YBJMESQPADEKCN-VXKWHMMOSA-N 1 1 409.578 2.828 40 0 HFABMO Cc1nc2cc(-c3nccn3C)nn2c(N2CCCC[C@H]2CC[NH+]2CCOCC2)c1C ZINC000019555690 558918419 /nfs/dbraw/zinc/91/84/19/558918419.db2.gz JMXKPZGPGRYNHQ-IBGZPJMESA-N 1 1 423.565 2.828 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335475 558936363 /nfs/dbraw/zinc/93/63/63/558936363.db2.gz PNGMCJXHKOZMIH-IYBDPMFKSA-N 1 1 405.502 2.902 40 0 HFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335475 558936364 /nfs/dbraw/zinc/93/63/64/558936364.db2.gz PNGMCJXHKOZMIH-IYBDPMFKSA-N 1 1 405.502 2.902 40 0 HFABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2-n2ccnc2)CC1 ZINC000019658488 558950522 /nfs/dbraw/zinc/95/05/22/558950522.db2.gz FJCUHZOCEUQJHP-UHFFFAOYSA-N 1 1 417.513 2.938 40 0 HFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+](Cc4ccnn4C)C3)c2)cn1 ZINC000072353681 558950697 /nfs/dbraw/zinc/95/06/97/558950697.db2.gz RRMZISNKYCCGGO-GOSISDBHSA-N 1 1 404.518 2.925 40 0 HFABMO CNc1nc([C@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CC[N@H+](C)C2 ZINC000019707407 558969688 /nfs/dbraw/zinc/96/96/88/558969688.db2.gz FZMVEEIJQBWVAJ-LJQANCHMSA-N 1 1 409.534 2.947 40 0 HFABMO CNc1nc([C@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CC[N@@H+](C)C2 ZINC000019707407 558969690 /nfs/dbraw/zinc/96/96/90/558969690.db2.gz FZMVEEIJQBWVAJ-LJQANCHMSA-N 1 1 409.534 2.947 40 0 HFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c(OC)c1OC ZINC000072390059 558970394 /nfs/dbraw/zinc/97/03/94/558970394.db2.gz PJWRTVIFCVQOEU-HNNXBMFYSA-N 1 1 411.462 2.932 40 0 HFABMO CNc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CC[N@H+](C)C2 ZINC000019708631 558970943 /nfs/dbraw/zinc/97/09/43/558970943.db2.gz UUAHARZLSQQPES-IBGZPJMESA-N 1 1 413.497 2.778 40 0 HFABMO CNc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019708631 558970946 /nfs/dbraw/zinc/97/09/46/558970946.db2.gz UUAHARZLSQQPES-IBGZPJMESA-N 1 1 413.497 2.778 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@H+](C)C2 ZINC000019708780 558971220 /nfs/dbraw/zinc/97/12/20/558971220.db2.gz KCPHQPHDHMFMQC-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708780 558971222 /nfs/dbraw/zinc/97/12/22/558971222.db2.gz KCPHQPHDHMFMQC-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710558 558972632 /nfs/dbraw/zinc/97/26/32/558972632.db2.gz FPPWXLODSXQIOK-GOSISDBHSA-N 1 1 423.561 2.908 40 0 HFABMO CNc1nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710942 558973134 /nfs/dbraw/zinc/97/31/34/558973134.db2.gz NESGBDZYKKRPGE-UHFFFAOYSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710942 558973136 /nfs/dbraw/zinc/97/31/36/558973136.db2.gz NESGBDZYKKRPGE-UHFFFAOYSA-N 1 1 423.561 2.854 40 0 HFABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OC)n1 ZINC000072395408 558974291 /nfs/dbraw/zinc/97/42/91/558974291.db2.gz YKQDIJZVIHRGJV-GTXMHPBVSA-N 1 1 411.502 2.547 40 0 HFABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 ZINC000019716248 558977895 /nfs/dbraw/zinc/97/78/95/558977895.db2.gz QBIJCTVNQBTOJG-MRXNPFEDSA-N 1 1 408.506 2.533 40 0 HFABMO Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)c12 ZINC000019716226 558977941 /nfs/dbraw/zinc/97/79/41/558977941.db2.gz AAVKYLHYVMCLGA-FQEVSTJZSA-N 1 1 407.518 2.779 40 0 HFABMO CN(C)C(=O)C[N@H+]1CCC[C@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100572 559024149 /nfs/dbraw/zinc/02/41/49/559024149.db2.gz OERSKNRYIZRREY-NRFANRHFSA-N 1 1 407.942 2.654 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103612 559025637 /nfs/dbraw/zinc/02/56/37/559025637.db2.gz HOMSOGJAMJMCIT-QFIPXVFZSA-N 1 1 408.546 2.939 40 0 HFABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106086 559028464 /nfs/dbraw/zinc/02/84/64/559028464.db2.gz KPXHJYZSVFGDBG-SJORKVTESA-N 1 1 411.502 2.504 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)cc1F ZINC000585106226 559028544 /nfs/dbraw/zinc/02/85/44/559028544.db2.gz XTSHPWLTUHEBKR-MOPGFXCFSA-N 1 1 401.526 2.833 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@@H]32)c1 ZINC000585107922 559029677 /nfs/dbraw/zinc/02/96/77/559029677.db2.gz FQPNANSMZMTTCH-QRWLVFNGSA-N 1 1 408.470 2.868 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4cc(F)cc(F)c4)CC[C@@H]32)c1 ZINC000585107922 559029679 /nfs/dbraw/zinc/02/96/79/559029679.db2.gz FQPNANSMZMTTCH-QRWLVFNGSA-N 1 1 408.470 2.868 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cccn1C)CCC2 ZINC000096056088 559093916 /nfs/dbraw/zinc/09/39/16/559093916.db2.gz LSRIDRQVGBIGDL-DVECYGJZSA-N 1 1 424.545 2.646 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccncc1)CCC2 ZINC000096056089 559094043 /nfs/dbraw/zinc/09/40/43/559094043.db2.gz HKWKLPBGICAXAX-YKSBVNFPSA-N 1 1 422.529 2.703 40 0 HFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000096156792 559100694 /nfs/dbraw/zinc/10/06/94/559100694.db2.gz DMGQJHMGVSLINT-HXUWFJFHSA-N 1 1 410.566 2.879 40 0 HFABMO CN(C)c1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000096239945 559103487 /nfs/dbraw/zinc/10/34/87/559103487.db2.gz HCAJONISEJIPNT-UHFFFAOYSA-N 1 1 408.546 2.902 40 0 HFABMO COCCN1[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263918 559107322 /nfs/dbraw/zinc/10/73/22/559107322.db2.gz KOMLBAUMLRUBEK-PMACEKPBSA-N 1 1 416.543 2.749 40 0 HFABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(OC)cc2)ccc1OC ZINC000585262514 559111006 /nfs/dbraw/zinc/11/10/06/559111006.db2.gz HYLUUUBMOZEBMU-SFHVURJKSA-N 1 1 405.491 2.601 40 0 HFABMO Cc1cc(C)cc(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1 ZINC000585267794 559112979 /nfs/dbraw/zinc/11/29/79/559112979.db2.gz BQHXMVYEHPHKBA-ZEQRLZLVSA-N 1 1 424.541 2.929 40 0 HFABMO O[C@H]1C[N@@H+](Cc2ccc(OCCn3cncn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268803 559114067 /nfs/dbraw/zinc/11/40/67/559114067.db2.gz VSSDBXCPZUCSQN-SFTDATJTSA-N 1 1 414.893 2.635 40 0 HFABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115804 /nfs/dbraw/zinc/11/58/04/559115804.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 1 1 414.546 2.525 40 0 HFABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115806 /nfs/dbraw/zinc/11/58/06/559115806.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 1 1 414.546 2.525 40 0 HFABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCCO)cc3)C2)cc1 ZINC000585269641 559115808 /nfs/dbraw/zinc/11/58/08/559115808.db2.gz FOVOWTROKBMMFR-DEOSSOPVSA-N 1 1 414.546 2.525 40 0 HFABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273492 559117407 /nfs/dbraw/zinc/11/74/07/559117407.db2.gz OODHCQRSMAFYMZ-QFIPXVFZSA-N 1 1 404.457 2.877 40 0 HFABMO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC000585293832 559126824 /nfs/dbraw/zinc/12/68/24/559126824.db2.gz ATLXAFZMXUTXLE-FQUZAXHOSA-N 1 1 405.494 2.989 40 0 HFABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257210099 559282552 /nfs/dbraw/zinc/28/25/52/559282552.db2.gz BTDQYYYAYJOLQG-QHCPKHFHSA-N 1 1 405.502 2.524 40 0 HFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccc(OC)cc2)CC[C@@]1(C)O ZINC000514289671 560032118 /nfs/dbraw/zinc/03/21/18/560032118.db2.gz AVYBYDZMMRADQC-PCCBWWKXSA-N 1 1 404.532 2.586 40 0 biogenic,in-vitro HFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccc(OC)cc2)CC[C@@]1(C)O ZINC000514289671 560032119 /nfs/dbraw/zinc/03/21/19/560032119.db2.gz AVYBYDZMMRADQC-PCCBWWKXSA-N 1 1 404.532 2.586 40 0 biogenic,in-vitro HFABMO Cc1nc(COC[C@H]2CC[N@H+](C)C3(CN(C(=O)c4cccc(O)c4)C3)C2)cs1 ZINC000575403119 560546883 /nfs/dbraw/zinc/54/68/83/560546883.db2.gz IWNDKTVUSYTOKE-INIZCTEOSA-N 1 1 401.532 2.910 40 0 HFABMO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000009288749 560757829 /nfs/dbraw/zinc/75/78/29/560757829.db2.gz FRADBOISHSOKPV-HXUWFJFHSA-N 1 1 408.454 2.950 40 0 HFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019220819 560872123 /nfs/dbraw/zinc/87/21/23/560872123.db2.gz VGYYWAYQTYQMQQ-NRFANRHFSA-N 1 1 421.549 2.665 40 0 HFABMO Cc1cccc(C)c1NC(=O)NC1(C(=O)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000019235743 560872209 /nfs/dbraw/zinc/87/22/09/560872209.db2.gz PAEKNTCENLWQCR-UHFFFAOYSA-N 1 1 416.566 2.966 40 0 HFABMO CCOc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020142313 560881568 /nfs/dbraw/zinc/88/15/68/560881568.db2.gz UMHZMBUUNDHFCG-QFIPXVFZSA-N 1 1 406.534 2.651 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000216273774 568464008 /nfs/dbraw/zinc/46/40/08/568464008.db2.gz LKOQAYHHSRFPJZ-UHFFFAOYSA-N 1 1 407.923 2.919 40 0 HFABMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 ZINC000224145727 568571494 /nfs/dbraw/zinc/57/14/94/568571494.db2.gz OKRAISIHGXSAAH-UHFFFAOYSA-N 1 1 401.532 2.598 40 0 HFABMO Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000225205410 568622653 /nfs/dbraw/zinc/62/26/53/568622653.db2.gz OSFJXOJKQBLKNG-UHFFFAOYSA-N 1 1 404.515 2.676 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744498 /nfs/dbraw/zinc/74/44/98/568744498.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 1 1 411.571 2.656 40 0 HFABMO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000247292680 568744500 /nfs/dbraw/zinc/74/45/00/568744500.db2.gz BJOQEGDXVHMAMJ-NFBKMPQASA-N 1 1 411.571 2.656 40 0 HFABMO CSc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1cnc(N3CCCC3=O)nc12 ZINC000247831748 568745928 /nfs/dbraw/zinc/74/59/28/568745928.db2.gz LLLADMLIHMYNKH-QFIPXVFZSA-N 1 1 410.543 2.999 40 0 HFABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)[nH+]1 ZINC000257200780 568776331 /nfs/dbraw/zinc/77/63/31/568776331.db2.gz AEVRHYDJLMKPEN-IBGZPJMESA-N 1 1 424.545 2.791 40 0 HFABMO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257217509 568781193 /nfs/dbraw/zinc/78/11/93/568781193.db2.gz CZGQNKGKHLAKHX-OAQYLSRUSA-N 1 1 410.547 2.924 40 0 HFABMO CCc1[nH]c(CN2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)c(C)[nH+]1 ZINC000306124192 568887319 /nfs/dbraw/zinc/88/73/19/568887319.db2.gz BISZMMYLYGYDQA-UWJYYQICSA-N 1 1 417.579 2.989 40 0 HFABMO COc1ccc(CN2CCO[C@]3(C[N@H+](C4CCC4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125315 568888180 /nfs/dbraw/zinc/88/81/80/568888180.db2.gz CMHACGRMSYKICE-UPVQGACJSA-N 1 1 407.514 2.840 40 0 HFABMO CC(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccc(-c4cccs4)n3)C2)O1 ZINC000306126091 568888847 /nfs/dbraw/zinc/88/88/47/568888847.db2.gz DMLCEOHDTYCRRM-WIYYLYMNSA-N 1 1 401.532 2.696 40 0 HFABMO CC(=O)NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccc(-c4cccs4)n3)C2)O1 ZINC000306126091 568888848 /nfs/dbraw/zinc/88/88/48/568888848.db2.gz DMLCEOHDTYCRRM-WIYYLYMNSA-N 1 1 401.532 2.696 40 0 HFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306126339 568889217 /nfs/dbraw/zinc/88/92/17/568889217.db2.gz DSZGIHYUTIXSTI-SFTDATJTSA-N 1 1 401.514 2.555 40 0 HFABMO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@@H]1CC[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000306133113 568895325 /nfs/dbraw/zinc/89/53/25/568895325.db2.gz MCLXMTMHDRCKGG-ICSRJNTNSA-N 1 1 412.509 2.744 40 0 HFABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306133988 568895997 /nfs/dbraw/zinc/89/59/97/568895997.db2.gz NBAVYZJDATZYAW-HSZRJFAPSA-N 1 1 422.554 2.679 40 0 HFABMO COc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136655 568898437 /nfs/dbraw/zinc/89/84/37/568898437.db2.gz PZIDBYXJUVQWLQ-UXHICEINSA-N 1 1 417.513 2.521 40 0 HFABMO Cc1ccsc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306136594 568898451 /nfs/dbraw/zinc/89/84/51/568898451.db2.gz PXTKDMPSOKCXEW-MSOLQXFVSA-N 1 1 407.543 2.882 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137128 568898870 /nfs/dbraw/zinc/89/88/70/568898870.db2.gz QMBVVHXMTIHJBO-GGAORHGYSA-N 1 1 420.538 2.935 40 0 HFABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O ZINC000306144015 568905445 /nfs/dbraw/zinc/90/54/45/568905445.db2.gz YTLNYUDMBXKTHO-FQEVSTJZSA-N 1 1 422.572 2.731 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219517 569344758 /nfs/dbraw/zinc/34/47/58/569344758.db2.gz UNELSAQUORBMQU-IBGZPJMESA-N 1 1 407.518 2.956 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292009 569345464 /nfs/dbraw/zinc/34/54/64/569345464.db2.gz DKMFOTAVDJZKEB-ZVDOUQERSA-N 1 1 412.578 2.940 40 0 HFABMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)C[NH+]3CCCCC3)[C@H]2C(C)C)cc1 ZINC000020368114 569357679 /nfs/dbraw/zinc/35/76/79/569357679.db2.gz AOTICUSQQDCENT-NQIIRXRSSA-N 1 1 407.580 2.684 40 0 HFABMO CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880804 291217799 /nfs/dbraw/zinc/21/77/99/291217799.db2.gz LWRQCGDPTNSDCL-ACRUOGEOSA-N 1 1 412.578 2.830 40 0 biogenic,in-vitro HFABMO COc1ccc(CNC(=O)[C@H]2O[C@H](CC[N@@H+](C)Cc3ccccc3)CC[C@@H]2O)cc1 ZINC000030879388 291225163 /nfs/dbraw/zinc/22/51/63/291225163.db2.gz OZZLLNQPKYFWGN-VABKMULXSA-N 1 1 412.530 2.742 40 0 biogenic,in-vitro HFABMO CCCC(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2ccncc2)C1 ZINC000012089350 132353840 /nfs/dbraw/zinc/35/38/40/132353840.db2.gz VINJMSPEUCXIPG-LJQANCHMSA-N 1 1 408.550 2.797 40 0 HFABMO Cc1[nH+]ccn1CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnc(C)cn2)CC1 ZINC000019746585 558266544 /nfs/dbraw/zinc/26/65/44/558266544.db2.gz DTWRSDWWRCZPMB-NRFANRHFSA-N 1 1 424.549 2.614 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NCc1cccc(F)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000012186303 558345525 /nfs/dbraw/zinc/34/55/25/558345525.db2.gz DKZIHUWZDLFNDR-UHFFFAOYSA-N 1 1 420.488 2.566 40 0 HFABMO Cc1nc2c(c(=O)n1CC(=O)NCc1cccc(F)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012186303 558345528 /nfs/dbraw/zinc/34/55/28/558345528.db2.gz DKZIHUWZDLFNDR-UHFFFAOYSA-N 1 1 420.488 2.566 40 0 HFABMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000012239234 558359872 /nfs/dbraw/zinc/35/98/72/558359872.db2.gz HAYDENNNBFXMNV-IBGZPJMESA-N 1 1 405.495 2.534 40 0 HFABMO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000020452594 558366859 /nfs/dbraw/zinc/36/68/59/558366859.db2.gz PXQVGVYKQXMWJW-UHFFFAOYSA-N 1 1 412.515 2.897 40 0 HFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000038852693 558819032 /nfs/dbraw/zinc/81/90/32/558819032.db2.gz RGKUSRYPGXAIIX-UHFFFAOYSA-N 1 1 418.497 2.927 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014681 558836738 /nfs/dbraw/zinc/83/67/38/558836738.db2.gz ZTFBJYGTEHITAU-HXUWFJFHSA-N 1 1 414.550 2.551 40 0 HFABMO O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014679 558836826 /nfs/dbraw/zinc/83/68/26/558836826.db2.gz ZTFBJYGTEHITAU-FQEVSTJZSA-N 1 1 414.550 2.551 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)n1 ZINC000019236326 558855453 /nfs/dbraw/zinc/85/54/53/558855453.db2.gz JWSLXODHJVNUAF-PMACEKPBSA-N 1 1 408.550 2.520 40 0 HFABMO COCCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019291377 558863894 /nfs/dbraw/zinc/86/38/94/558863894.db2.gz SZEOSHOACFWLCH-LIMIJEPZSA-N 1 1 415.534 2.574 40 0 HFABMO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293505 558865355 /nfs/dbraw/zinc/86/53/55/558865355.db2.gz BGINVEPEYSJTCH-MRXNPFEDSA-N 1 1 410.493 2.839 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019293839 558865468 /nfs/dbraw/zinc/86/54/68/558865468.db2.gz ZYZSNGVZCPTFKO-QGZVFWFLSA-N 1 1 410.493 2.583 40 0 HFABMO O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339377 558871250 /nfs/dbraw/zinc/87/12/50/558871250.db2.gz SZEHELIMRYZZIR-GOSISDBHSA-N 1 1 421.526 2.762 40 0 HFABMO O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339377 558871254 /nfs/dbraw/zinc/87/12/54/558871254.db2.gz SZEHELIMRYZZIR-GOSISDBHSA-N 1 1 421.526 2.762 40 0 HFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349029 558874930 /nfs/dbraw/zinc/87/49/30/558874930.db2.gz ZDEJWVJQSICMKQ-QGZVFWFLSA-N 1 1 410.493 2.583 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019450501 558888914 /nfs/dbraw/zinc/88/89/14/558888914.db2.gz ULONZEKRBDGSOE-UHFFFAOYSA-N 1 1 421.501 2.624 40 0 HFABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501594 558899658 /nfs/dbraw/zinc/89/96/58/558899658.db2.gz XRPJXXJBJXMXDW-QGZVFWFLSA-N 1 1 412.509 2.973 40 0 HFABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501589 558899665 /nfs/dbraw/zinc/89/96/65/558899665.db2.gz SUACVJNWEBKHOL-KRWDZBQOSA-N 1 1 412.509 2.973 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523640 558904935 /nfs/dbraw/zinc/90/49/35/558904935.db2.gz CDOHYJPPVHWHTL-JOCHJYFZSA-N 1 1 406.534 2.503 40 0 HFABMO CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000019526670 558907971 /nfs/dbraw/zinc/90/79/71/558907971.db2.gz XKYRKMIXJNWYNM-UHFFFAOYSA-N 1 1 409.534 2.878 40 0 HFABMO CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019532867 558912769 /nfs/dbraw/zinc/91/27/69/558912769.db2.gz XUENDVLDDIIANS-KRWDZBQOSA-N 1 1 410.518 2.518 40 0 HFABMO CCOc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019533912 558913575 /nfs/dbraw/zinc/91/35/75/558913575.db2.gz MBSUQQORQDDHDP-UHFFFAOYSA-N 1 1 406.486 2.840 40 0 HFABMO COc1ccc(F)c(C[NH+]2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)c1 ZINC000019551487 558915568 /nfs/dbraw/zinc/91/55/68/558915568.db2.gz VMFLYUQRRXALKN-UHFFFAOYSA-N 1 1 400.450 3.000 40 0 HFABMO Cc1cc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572051 558930406 /nfs/dbraw/zinc/93/04/06/558930406.db2.gz VDZUWCSROUUVSC-KRWDZBQOSA-N 1 1 412.559 2.814 40 0 HFABMO CC(C)NC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334459 558935585 /nfs/dbraw/zinc/93/55/85/558935585.db2.gz SKFGWGMBEGWHKN-SBJAYZTMSA-N 1 1 423.532 2.938 40 0 HFABMO Cc1cc(N2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000072352662 558949234 /nfs/dbraw/zinc/94/92/34/558949234.db2.gz GXSQMNROLUGFQK-KRWDZBQOSA-N 1 1 405.502 2.700 40 0 HFABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@H+](C)C2 ZINC000019708449 558970846 /nfs/dbraw/zinc/97/08/46/558970846.db2.gz NWCAWHBACLQMMW-GOSISDBHSA-N 1 1 419.526 2.561 40 0 HFABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019708449 558970848 /nfs/dbraw/zinc/97/08/48/558970848.db2.gz NWCAWHBACLQMMW-GOSISDBHSA-N 1 1 419.526 2.561 40 0 HFABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000019715420 558976278 /nfs/dbraw/zinc/97/62/78/558976278.db2.gz RKVGMKDTRIJICZ-UHFFFAOYSA-N 1 1 409.490 2.679 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220347 558990641 /nfs/dbraw/zinc/99/06/41/558990641.db2.gz DKMFOTAVDJZKEB-QKNQBKEWSA-N 1 1 412.578 2.940 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000257220346 558990647 /nfs/dbraw/zinc/99/06/47/558990647.db2.gz DKMFOTAVDJZKEB-IRFCIJBXSA-N 1 1 412.578 2.940 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000257299059 559009407 /nfs/dbraw/zinc/00/94/07/559009407.db2.gz ROOULFYYWGUYBD-IRFCIJBXSA-N 1 1 412.578 2.940 40 0 HFABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)nc2ccccn12 ZINC000585099978 559024515 /nfs/dbraw/zinc/02/45/15/559024515.db2.gz BVYBIFMFEWYFSY-DEOSSOPVSA-N 1 1 423.561 2.612 40 0 HFABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1F ZINC000585104190 559025987 /nfs/dbraw/zinc/02/59/87/559025987.db2.gz MJCASPNYPAQUGJ-YFVAEKQCSA-N 1 1 404.526 2.848 40 0 HFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106310 559028698 /nfs/dbraw/zinc/02/86/98/559028698.db2.gz SDNXXNUZLWSFON-CVEARBPZSA-N 1 1 407.917 2.932 40 0 HFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1(F)CCC1)CCC2 ZINC000585108042 559029923 /nfs/dbraw/zinc/02/99/23/559029923.db2.gz HULGGGAPCLDLFA-GCJKJVERSA-N 1 1 417.525 2.886 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1cccnc1)C2 ZINC000096036261 559089901 /nfs/dbraw/zinc/08/99/01/559089901.db2.gz JLQHWEWZUVLWDR-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1cccnc1)C2 ZINC000096036261 559089903 /nfs/dbraw/zinc/08/99/03/559089903.db2.gz JLQHWEWZUVLWDR-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C(=O)[C@H]2C[N@@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096143599 559096025 /nfs/dbraw/zinc/09/60/25/559096025.db2.gz PPFNKXRXLYLALS-LEWJYISDSA-N 1 1 413.562 2.736 40 0 HFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000585261349 559108856 /nfs/dbraw/zinc/10/88/56/559108856.db2.gz NHWWXZLWGNJSRT-WXFUMESZSA-N 1 1 407.514 2.692 40 0 HFABMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272062 559117827 /nfs/dbraw/zinc/11/78/27/559117827.db2.gz ITHBNRCPMXSBQL-JOCHJYFZSA-N 1 1 414.546 2.962 40 0 HFABMO COc1cccc(N2CCC(O)(C[N@H+]3CC[C@H]4[C@@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585283491 559120645 /nfs/dbraw/zinc/12/06/45/559120645.db2.gz OTCOJAAXAYJKBV-VXKWHMMOSA-N 1 1 401.551 2.502 40 0 HFABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585287077 559122167 /nfs/dbraw/zinc/12/21/67/559122167.db2.gz SHNXRQFYFGLVNM-CTNGQTDRSA-N 1 1 403.542 2.880 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccncc1)C2 ZINC000097952822 559124895 /nfs/dbraw/zinc/12/48/95/559124895.db2.gz VQHIQHIGEPIVOE-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccncc1)C2 ZINC000097952822 559124897 /nfs/dbraw/zinc/12/48/97/559124897.db2.gz VQHIQHIGEPIVOE-QHCPKHFHSA-N 1 1 407.518 2.670 40 0 HFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCCOc3ccccc3)CC2)c(C)c1 ZINC000257330992 559283386 /nfs/dbraw/zinc/28/33/86/559283386.db2.gz XQXONVIAFJZGGI-UHFFFAOYSA-N 1 1 412.530 2.704 40 0 HFABMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231343 559283985 /nfs/dbraw/zinc/28/39/85/559283985.db2.gz GGGRQRPVOJLKPE-QHCPKHFHSA-N 1 1 416.493 2.747 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257291980 559285692 /nfs/dbraw/zinc/28/56/92/559285692.db2.gz QJMGHKCFCPHEQF-QHCPKHFHSA-N 1 1 423.557 2.845 40 0 HFABMO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCCCC1 ZINC000004212531 560603735 /nfs/dbraw/zinc/60/37/35/560603735.db2.gz QLJYAFMYJHEGEM-LJQANCHMSA-N 1 1 424.505 2.964 40 0 HFABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2Cl)CC1 ZINC000017091728 560866321 /nfs/dbraw/zinc/86/63/21/560866321.db2.gz NBUILCXYWVGELW-UHFFFAOYSA-N 1 1 418.950 2.984 40 0 HFABMO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000017946059 560870701 /nfs/dbraw/zinc/87/07/01/560870701.db2.gz FRADBOISHSOKPV-FQEVSTJZSA-N 1 1 408.454 2.950 40 0 HFABMO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000019589926 560874365 /nfs/dbraw/zinc/87/43/65/560874365.db2.gz NWVBNLVVVMQVRG-HXUWFJFHSA-N 1 1 412.925 2.720 40 0 HFABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc12 ZINC000019940846 560877195 /nfs/dbraw/zinc/87/71/95/560877195.db2.gz PFYZWIWDLYZVNQ-NRFANRHFSA-N 1 1 421.549 2.583 40 0 HFABMO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cccc(OC)c2OC)CC1 ZINC000020140137 560881289 /nfs/dbraw/zinc/88/12/89/560881289.db2.gz XFOAZAMIEIKYIR-SFHVURJKSA-N 1 1 402.543 2.562 40 0 HFABMO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000216449459 568465352 /nfs/dbraw/zinc/46/53/52/568465352.db2.gz KREDNMJAJDUEFS-UHFFFAOYSA-N 1 1 412.515 2.897 40 0 HFABMO CN(c1cccc(C(=O)N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224271823 568575996 /nfs/dbraw/zinc/57/59/96/568575996.db2.gz DJFGQSDWQWIBOH-UHFFFAOYSA-N 1 1 407.923 2.553 40 0 HFABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1C ZINC000224754969 568595422 /nfs/dbraw/zinc/59/54/22/568595422.db2.gz DLJCNKRYKKWDDG-UHFFFAOYSA-N 1 1 404.532 2.623 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000065057415 568714324 /nfs/dbraw/zinc/71/43/24/568714324.db2.gz WDVNESVKTCJJQQ-VQTJNVASSA-N 1 1 421.607 2.634 40 0 HFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCc2nc3cc(Cl)ccc3[nH]2)[C@H]1O ZINC000257225994 568783699 /nfs/dbraw/zinc/78/36/99/568783699.db2.gz FISANQJHHXSFDB-WRWLIDTKSA-N 1 1 401.898 2.925 40 0 HFABMO CC(C)CC(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257248720 568789873 /nfs/dbraw/zinc/78/98/73/568789873.db2.gz JEXCHNBEULZRSS-DEOSSOPVSA-N 1 1 415.578 2.884 40 0 HFABMO Cc1ccccc1C[N@H+]1CC[C@@H](c2nc(C)c(CC(=O)N3CCOCC3)c(C)n2)C1 ZINC000257272128 568796148 /nfs/dbraw/zinc/79/61/48/568796148.db2.gz NBESLVYGJWBEHV-OAQYLSRUSA-N 1 1 408.546 2.793 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306126272 568888811 /nfs/dbraw/zinc/88/88/11/568888811.db2.gz DRDZGKMFGMDDLF-ROUUACIJSA-N 1 1 407.543 2.882 40 0 HFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccsc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306132149 568894470 /nfs/dbraw/zinc/89/44/70/568894470.db2.gz LAAANIZXQPSAFX-WIYYLYMNSA-N 1 1 402.564 2.990 40 0 HFABMO CCc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cc1 ZINC000306133213 568895351 /nfs/dbraw/zinc/89/53/51/568895351.db2.gz MFJBVSGRMAUQPJ-QHCPKHFHSA-N 1 1 422.554 2.625 40 0 HFABMO CS(=O)(=O)N[C@@H]1CCN(Cc2cccs2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306133890 568895950 /nfs/dbraw/zinc/89/59/50/568895950.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133890 568895951 /nfs/dbraw/zinc/89/59/51/568895951.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 1 1 419.616 2.764 40 0 HFABMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccs2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306133890 568895953 /nfs/dbraw/zinc/89/59/53/568895953.db2.gz MYPBWZGBZMZKSP-NHCUHLMSSA-N 1 1 419.616 2.764 40 0 HFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306136007 568897965 /nfs/dbraw/zinc/89/79/65/568897965.db2.gz PGJFWCYTMSLNTL-SJORKVTESA-N 1 1 418.501 2.547 40 0 HFABMO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[N@H+]3CCC[C@H]3C1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000253595472 569318319 /nfs/dbraw/zinc/31/83/19/569318319.db2.gz FAOJJDMFNZOAEQ-OCAKCSDDSA-N 1 1 408.546 2.671 40 0 HFABMO CCc1nc(-c2cncnc2[C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)no1 ZINC000019693867 569346588 /nfs/dbraw/zinc/34/65/88/569346588.db2.gz VREBCKAWKBHWRE-AWEZNQCLSA-N 1 1 408.462 2.526 40 0 HFABMO CCc1nc(-c2cncnc2[C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)no1 ZINC000019693867 569346589 /nfs/dbraw/zinc/34/65/89/569346589.db2.gz VREBCKAWKBHWRE-AWEZNQCLSA-N 1 1 408.462 2.526 40 0 HFABMO COc1ccc(C[N@H+]2CC[C@H](c3cc(C(=O)N(C)C)[nH]n3)C2)cc1Cn1ccnc1C ZINC000019707700 569348010 /nfs/dbraw/zinc/34/80/10/569348010.db2.gz UAJLJMPKTXNQHF-SFHVURJKSA-N 1 1 422.533 2.663 40 0 HFABMO Cn1nc(C(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)ccc1=O ZINC000019713495 569348404 /nfs/dbraw/zinc/34/84/04/569348404.db2.gz LUXCPSKHEQKKBU-IZIIKQMZSA-N 1 1 408.546 2.871 40 0 HFABMO Cc1cc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 ZINC000012330618 132358934 /nfs/dbraw/zinc/35/89/34/132358934.db2.gz VOBFEIVESOZZAK-IBGZPJMESA-N 1 1 412.534 2.925 40 0 HFABMO c1ccc(C[NH+]2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000020140624 526469871 /nfs/dbraw/zinc/46/98/71/526469871.db2.gz QNGRWJFGRMPRSD-PKTZIBPZSA-N 1 1 418.545 2.759 40 0 HFABMO O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)ccc2N1 ZINC000012362391 558387514 /nfs/dbraw/zinc/38/75/14/558387514.db2.gz HGUDBYGDSAOAAU-FQEVSTJZSA-N 1 1 417.506 2.826 40 0 HFABMO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)C2CCCCC2)c(C)c1 ZINC000023410392 558557494 /nfs/dbraw/zinc/55/74/94/558557494.db2.gz VYZPUOIPYHBJTL-UHFFFAOYSA-N 1 1 421.607 2.709 40 0 HFABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000019292024 558864231 /nfs/dbraw/zinc/86/42/31/558864231.db2.gz HSZTUZCSQLSKLD-XUVXKRRUSA-N 1 1 412.578 2.798 40 0 HFABMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335788 558869929 /nfs/dbraw/zinc/86/99/29/558869929.db2.gz SMMDPYXXZWJSLN-UTKZUKDTSA-N 1 1 417.525 2.576 40 0 HFABMO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339308 558871168 /nfs/dbraw/zinc/87/11/68/558871168.db2.gz JMYUSWIHHRBBHR-FQEVSTJZSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339308 558871171 /nfs/dbraw/zinc/87/11/71/558871171.db2.gz JMYUSWIHHRBBHR-FQEVSTJZSA-N 1 1 407.518 2.577 40 0 HFABMO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019343156 558872555 /nfs/dbraw/zinc/87/25/55/558872555.db2.gz LWHHCCGLNYDFID-HNNXBMFYSA-N 1 1 412.559 2.691 40 0 HFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349465 558875110 /nfs/dbraw/zinc/87/51/10/558875110.db2.gz SPQRKFVOTCVEJE-DHLKQENFSA-N 1 1 420.557 2.947 40 0 HFABMO O=c1[nH]c(N2CCCC2)nc2c1C[N@H+](Cc1cccn1Cc1ccccc1F)CC2 ZINC000019349785 558875367 /nfs/dbraw/zinc/87/53/67/558875367.db2.gz RLQZFBUFOFZLOI-UHFFFAOYSA-N 1 1 407.493 2.917 40 0 HFABMO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1cccn1Cc1ccccc1F)CC2 ZINC000019349785 558875371 /nfs/dbraw/zinc/87/53/71/558875371.db2.gz RLQZFBUFOFZLOI-UHFFFAOYSA-N 1 1 407.493 2.917 40 0 HFABMO C[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019463349 558894394 /nfs/dbraw/zinc/89/43/94/558894394.db2.gz ULFOUKLGNKCACO-YYFZDKIDSA-N 1 1 410.493 2.787 40 0 HFABMO C[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019463349 558894396 /nfs/dbraw/zinc/89/43/96/558894396.db2.gz ULFOUKLGNKCACO-YYFZDKIDSA-N 1 1 410.493 2.787 40 0 HFABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019501598 558899680 /nfs/dbraw/zinc/89/96/80/558899680.db2.gz ONHVPKJFMWAWOF-OAHLLOKOSA-N 1 1 400.548 2.896 40 0 HFABMO CCS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1sccc1C)CC2 ZINC000019520324 558901230 /nfs/dbraw/zinc/90/12/30/558901230.db2.gz XIZJWASBQWPCHO-INIZCTEOSA-N 1 1 422.576 2.597 40 0 HFABMO CCc1ncc(CN2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cn1 ZINC000019523403 558904760 /nfs/dbraw/zinc/90/47/60/558904760.db2.gz YBJMESQPADEKCN-YADHBBJMSA-N 1 1 409.578 2.828 40 0 HFABMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019554949 558917884 /nfs/dbraw/zinc/91/78/84/558917884.db2.gz RSYXXHWPLMWSKP-KRWDZBQOSA-N 1 1 423.517 2.607 40 0 HFABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C ZINC000019567316 558926862 /nfs/dbraw/zinc/92/68/62/558926862.db2.gz USNGWXMCOANATR-GOSISDBHSA-N 1 1 412.534 2.612 40 0 HFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)c2)cn1 ZINC000072353682 558950688 /nfs/dbraw/zinc/95/06/88/558950688.db2.gz RRMZISNKYCCGGO-SFHVURJKSA-N 1 1 404.518 2.925 40 0 HFABMO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)[nH+]1 ZINC000072372601 558960183 /nfs/dbraw/zinc/96/01/83/558960183.db2.gz JSCWYHRLGMFDKW-GOSISDBHSA-N 1 1 422.489 2.524 40 0 HFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3nc(C)cc(C)n3)cn2)CC1 ZINC000072374280 558961647 /nfs/dbraw/zinc/96/16/47/558961647.db2.gz DIWYEBJIDNGSKG-KRWDZBQOSA-N 1 1 412.538 2.563 40 0 HFABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@H+](C)C2 ZINC000019707336 558969677 /nfs/dbraw/zinc/96/96/77/558969677.db2.gz CFUXNCJWFMKXAR-MRXNPFEDSA-N 1 1 421.954 2.685 40 0 HFABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CC[N@@H+](C)C2 ZINC000019707336 558969680 /nfs/dbraw/zinc/96/96/80/558969680.db2.gz CFUXNCJWFMKXAR-MRXNPFEDSA-N 1 1 421.954 2.685 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCOc1ccccc1C)C2 ZINC000019708816 558971400 /nfs/dbraw/zinc/97/14/00/558971400.db2.gz KLJRXLHUJGTUJH-GOSISDBHSA-N 1 1 423.561 2.990 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 ZINC000019710437 558972378 /nfs/dbraw/zinc/97/23/78/558972378.db2.gz ZAZIKVURMCCSLT-GOSISDBHSA-N 1 1 423.561 2.990 40 0 HFABMO Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)c12 ZINC000019716227 558977879 /nfs/dbraw/zinc/97/78/79/558977879.db2.gz AAVKYLHYVMCLGA-HXUWFJFHSA-N 1 1 407.518 2.779 40 0 HFABMO O=C(NCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101842 559024934 /nfs/dbraw/zinc/02/49/34/559024934.db2.gz GLCLCYWNJOBNPM-GOSISDBHSA-N 1 1 422.451 2.779 40 0 HFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585104602 559027162 /nfs/dbraw/zinc/02/71/62/559027162.db2.gz RBWYCTQPEVULPI-SYYKKAFVSA-N 1 1 400.563 2.963 40 0 HFABMO O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106191 559028482 /nfs/dbraw/zinc/02/84/82/559028482.db2.gz BELXQIMDGWTEDE-MOPGFXCFSA-N 1 1 401.576 2.520 40 0 HFABMO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106175 559028509 /nfs/dbraw/zinc/02/85/09/559028509.db2.gz VCPSWVHXHRYRKP-MSOLQXFVSA-N 1 1 403.954 2.578 40 0 HFABMO CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cn1 ZINC000585109261 559030405 /nfs/dbraw/zinc/03/04/05/559030405.db2.gz FJTOFKVVZGWNJH-UIFIKXQLSA-N 1 1 418.488 2.725 40 0 HFABMO C[N@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5cccnc5)cn43)n2)CC1 ZINC000096155343 559099563 /nfs/dbraw/zinc/09/95/63/559099563.db2.gz BHKPJWULYYAIAU-UHFFFAOYSA-N 1 1 400.486 2.965 40 0 HFABMO C[N@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn43)n2)CC1 ZINC000096155367 559099576 /nfs/dbraw/zinc/09/95/76/559099576.db2.gz GGJQZKNTEMQMAY-UHFFFAOYSA-N 1 1 400.486 2.965 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)N4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242268 559103967 /nfs/dbraw/zinc/10/39/67/559103967.db2.gz NRPYCRZGFJLRFH-FQEVSTJZSA-N 1 1 424.589 2.887 40 0 HFABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccsc1)Cc1ccccc12 ZINC000096242499 559104081 /nfs/dbraw/zinc/10/40/81/559104081.db2.gz KZMHYKHHMQAVML-UHFFFAOYSA-N 1 1 405.589 2.904 40 0 HFABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1ccsc1)Cc1ccccc12 ZINC000096242499 559104083 /nfs/dbraw/zinc/10/40/83/559104083.db2.gz KZMHYKHHMQAVML-UHFFFAOYSA-N 1 1 405.589 2.904 40 0 HFABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)COc2cccc(OC)c2)ccc1OC ZINC000585262568 559111143 /nfs/dbraw/zinc/11/11/43/559111143.db2.gz UBDILVZZMXMEIZ-GOSISDBHSA-N 1 1 405.491 2.601 40 0 HFABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2ccc(C)cc2)CC1 ZINC000585274177 559118490 /nfs/dbraw/zinc/11/84/90/559118490.db2.gz TWOXYBJDTLNIRB-XMMPIXPASA-N 1 1 412.530 2.916 40 0 HFABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2cccc(OC)c2)CC1 ZINC000585282965 559120402 /nfs/dbraw/zinc/12/04/02/559120402.db2.gz KUDDKPWGHOUNMH-SFTDATJTSA-N 1 1 401.551 2.502 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccccn1)C2 ZINC000097952819 559124927 /nfs/dbraw/zinc/12/49/27/559124927.db2.gz SFRSKRLAZAEQBR-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccn1)C2 ZINC000097952819 559124928 /nfs/dbraw/zinc/12/49/28/559124928.db2.gz SFRSKRLAZAEQBR-HSZRJFAPSA-N 1 1 407.518 2.670 40 0 HFABMO CS(=O)(=O)Nc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000139445178 559288750 /nfs/dbraw/zinc/28/87/50/559288750.db2.gz UOAXWJWGJSUQJZ-UHFFFAOYSA-N 1 1 407.923 2.670 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403347 560546832 /nfs/dbraw/zinc/54/68/32/560546832.db2.gz IJDBNMKEDOCCEK-UGKGYDQZSA-N 1 1 407.514 2.525 40 0 HFABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823475 560875959 /nfs/dbraw/zinc/87/59/59/560875959.db2.gz HHCOSCNXMAATFK-UHFFFAOYSA-N 1 1 416.591 2.564 40 0 HFABMO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030602 560890818 /nfs/dbraw/zinc/89/08/18/560890818.db2.gz RFGWBVZSAUGHTQ-GOSISDBHSA-N 1 1 404.894 2.626 40 0 HFABMO CN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12 ZINC000033821721 568521522 /nfs/dbraw/zinc/52/15/22/568521522.db2.gz INAWKYYRGFLTDR-MTXNFPGFSA-N 1 1 401.466 2.532 40 0 HFABMO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)ccc21 ZINC000223866745 568561336 /nfs/dbraw/zinc/56/13/36/568561336.db2.gz FFGGENIIIUQRJM-UHFFFAOYSA-N 1 1 410.499 2.568 40 0 HFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000225568068 568651953 /nfs/dbraw/zinc/65/19/53/568651953.db2.gz TUPDALKYBPARJY-UHFFFAOYSA-N 1 1 424.526 2.895 40 0 HFABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+]3CCCC[C@H]3CC)ccc21 ZINC000260770436 568738337 /nfs/dbraw/zinc/73/83/37/568738337.db2.gz SOCOHUNUTLZQGM-GOSISDBHSA-N 1 1 407.580 2.919 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000260908010 568743990 /nfs/dbraw/zinc/74/39/90/568743990.db2.gz WDVNESVKTCJJQQ-PMACEKPBSA-N 1 1 421.607 2.634 40 0 HFABMO CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257240387 568787756 /nfs/dbraw/zinc/78/77/56/568787756.db2.gz HTEVZNCJYQZSKP-FQEVSTJZSA-N 1 1 423.561 2.874 40 0 HFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257287978 568800956 /nfs/dbraw/zinc/80/09/56/568800956.db2.gz PSGYLFVGAVAGTH-NRFANRHFSA-N 1 1 418.925 2.662 40 0 HFABMO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@@H+](Cc3scnc3C)C1)nc2C ZINC000257289029 568801197 /nfs/dbraw/zinc/80/11/97/568801197.db2.gz PWRKIVKWQQAKFP-NRFANRHFSA-N 1 1 415.563 2.639 40 0 HFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257293628 568802637 /nfs/dbraw/zinc/80/26/37/568802637.db2.gz QQLJZGBATPBOKO-GMAHTHKFSA-N 1 1 421.541 2.760 40 0 HFABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)CN4CCOCC4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295175 568803038 /nfs/dbraw/zinc/80/30/38/568803038.db2.gz QXGORWRCFOAXMU-LYVDORBWSA-N 1 1 411.590 2.794 40 0 HFABMO CCc1[nH]nc(C(=O)N2CCC[C@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)CC2)c1C ZINC000257299700 568804454 /nfs/dbraw/zinc/80/44/54/568804454.db2.gz RRCRPHNRAAWOCR-HSZRJFAPSA-N 1 1 414.550 2.778 40 0 HFABMO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)n1 ZINC000257313879 568808375 /nfs/dbraw/zinc/80/83/75/568808375.db2.gz UUMGURPUZMDOPH-HNTODFAGSA-N 1 1 420.557 2.637 40 0 HFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000257335164 568814665 /nfs/dbraw/zinc/81/46/65/568814665.db2.gz YIXYPEBIDRAMGL-QHCPKHFHSA-N 1 1 407.518 2.837 40 0 HFABMO COc1ccc(CN2CCO[C@]3(C[N@H+](C4CCC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125316 568888188 /nfs/dbraw/zinc/88/81/88/568888188.db2.gz CMHACGRMSYKICE-VWNXMTODSA-N 1 1 407.514 2.840 40 0 HFABMO COc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cc1 ZINC000306126391 568889025 /nfs/dbraw/zinc/88/90/25/568889025.db2.gz DULWYHFBIJJQIS-QZTJIDSGSA-N 1 1 403.486 2.843 40 0 HFABMO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306127427 568890225 /nfs/dbraw/zinc/89/02/25/568890225.db2.gz FYLZZDWVMZNSOW-RBBKRZOGSA-N 1 1 416.591 2.971 40 0 HFABMO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306127427 568890227 /nfs/dbraw/zinc/89/02/27/568890227.db2.gz FYLZZDWVMZNSOW-RBBKRZOGSA-N 1 1 416.591 2.971 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306128553 568891349 /nfs/dbraw/zinc/89/13/49/568891349.db2.gz HDUAANRXOSDPSF-ZWKOTPCHSA-N 1 1 403.486 2.843 40 0 HFABMO O=C(NCc1ccccc1)C1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306129861 568892319 /nfs/dbraw/zinc/89/23/19/568892319.db2.gz IOZMRFPRZNGVLE-PKTZIBPZSA-N 1 1 418.541 2.859 40 0 HFABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cc1 ZINC000306132657 568894856 /nfs/dbraw/zinc/89/48/56/568894856.db2.gz LONFCZPWDJXBPI-VXKWHMMOSA-N 1 1 416.525 2.608 40 0 HFABMO O=c1c(=O)n(CC2CCCCC2)nc2n1C[C@H]1CC[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000306133115 568895432 /nfs/dbraw/zinc/89/54/32/568895432.db2.gz MCLXMTMHDRCKGG-UYAOXDASSA-N 1 1 412.509 2.744 40 0 HFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306136188 568897922 /nfs/dbraw/zinc/89/79/22/568897922.db2.gz PLVQYDDXDFIEAJ-SFTDATJTSA-N 1 1 401.514 2.821 40 0 HFABMO Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CC[N@@H+](CC3CC3)C2)s1 ZINC000306137594 568899551 /nfs/dbraw/zinc/89/95/51/568899551.db2.gz RASWIGDUGUQCRL-QHCPKHFHSA-N 1 1 424.570 2.569 40 0 HFABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306138235 568900069 /nfs/dbraw/zinc/90/00/69/568900069.db2.gz RSXRIJIMUMDSEM-FYYLOGMGSA-N 1 1 420.538 2.935 40 0 HFABMO CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)c3cccnc3)[N@H+]2Cc2ccccc21 ZINC000306138192 568900087 /nfs/dbraw/zinc/90/00/87/568900087.db2.gz RSCSVHFQFOKRSC-PMACEKPBSA-N 1 1 407.518 2.783 40 0 HFABMO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3[N@H+]2C)cc1 ZINC000306138736 568900646 /nfs/dbraw/zinc/90/06/46/568900646.db2.gz SGDSZNHKTIAZHD-FCEUIQTBSA-N 1 1 407.514 2.546 40 0 HFABMO Cc1ccc(C[N@H+]2C[C@H]3Cn4cc(C(=O)NC5CCCCC5)c(=O)nc4[C@@H]3C2)s1 ZINC000306139695 568901519 /nfs/dbraw/zinc/90/15/19/568901519.db2.gz TXWHKQJVHSEQFR-MAUKXSAKSA-N 1 1 412.559 2.905 40 0 HFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306140360 568902111 /nfs/dbraw/zinc/90/21/11/568902111.db2.gz UREIJZAJWDPYET-PMACEKPBSA-N 1 1 417.513 2.521 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306144792 568906337 /nfs/dbraw/zinc/90/63/37/568906337.db2.gz ZONKHPUOQBGCPF-GMAHTHKFSA-N 1 1 420.538 2.935 40 0 HFABMO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022467435 569042555 /nfs/dbraw/zinc/04/25/55/569042555.db2.gz SLFYAJZFXLZXCB-OAQYLSRUSA-N 1 1 412.530 2.898 40 0 HFABMO COc1cc(OC)c(NC(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)cc1Cl ZINC000224266201 569056698 /nfs/dbraw/zinc/05/66/98/569056698.db2.gz ZPGRLOJKFKBRPI-UHFFFAOYSA-N 1 1 406.874 2.543 40 0 HFABMO O=C(CCCc1c[nH]c2ccccc12)NCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000524729814 569291395 /nfs/dbraw/zinc/29/13/95/569291395.db2.gz KCHXRLRYCIXUIB-AZUAARDMSA-N 1 1 418.541 2.888 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)CC1 ZINC000006953435 569335641 /nfs/dbraw/zinc/33/56/41/569335641.db2.gz CUUMUBHBTXKTQI-UHFFFAOYSA-N 1 1 415.559 2.739 40 0 HFABMO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000022575927 569349794 /nfs/dbraw/zinc/34/97/94/569349794.db2.gz YDHNHBFVZHYVEZ-GMAHTHKFSA-N 1 1 418.545 2.908 40 0 HFABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1)NC1CCCCC1 ZINC000004260369 291228911 /nfs/dbraw/zinc/22/89/11/291228911.db2.gz LNFMGMNZALECIJ-DLBZAZTESA-N 1 1 414.550 2.901 40 0 biogenic,in-vitro HFABMO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000012365563 558387949 /nfs/dbraw/zinc/38/79/49/558387949.db2.gz BRDUABZCXXPFCH-UHFFFAOYSA-N 1 1 413.562 2.973 40 0 HFABMO COc1ccc(C)cc1C[N@H+]1C[C@@H](C(=O)N(C)C)[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000036748710 558802525 /nfs/dbraw/zinc/80/25/25/558802525.db2.gz RNBMAWZXLBZPRO-OFVILXPXSA-N 1 1 421.541 2.639 40 0 HFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCCOc2cccc3cccnc32)CC1 ZINC000019287846 558861228 /nfs/dbraw/zinc/86/12/28/558861228.db2.gz UJBWJLXUDLGGKM-UHFFFAOYSA-N 1 1 408.502 2.952 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000019292026 558864293 /nfs/dbraw/zinc/86/42/93/558864293.db2.gz HSZTUZCSQLSKLD-ZCNNSNEGSA-N 1 1 412.578 2.798 40 0 HFABMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 ZINC000054672251 558868621 /nfs/dbraw/zinc/86/86/21/558868621.db2.gz FBMCKQVWJLWBBC-MRXNPFEDSA-N 1 1 407.305 2.648 40 0 HFABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000019349426 558875137 /nfs/dbraw/zinc/87/51/37/558875137.db2.gz RVHXDRVPEMOPNN-UHFFFAOYSA-N 1 1 401.392 2.847 40 0 HFABMO CC(C)OCC[NH+]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc32)CC1 ZINC000019450452 558888912 /nfs/dbraw/zinc/88/89/12/558888912.db2.gz WRMGEKCHPNHLAJ-UHFFFAOYSA-N 1 1 407.518 2.818 40 0 HFABMO COc1cccc([C@@H]2CN(C(=O)C[N@H+]3CCC[C@H](C)C3)C[C@H]2c2csnn2)c1 ZINC000019496517 558895457 /nfs/dbraw/zinc/89/54/57/558895457.db2.gz NAZPZOUSOUPIMV-ZYSHUDEJSA-N 1 1 400.548 2.988 40 0 HFABMO CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 ZINC000019523625 558904911 /nfs/dbraw/zinc/90/49/11/558904911.db2.gz UYLAIDNSDXNTDF-QGZVFWFLSA-N 1 1 420.517 2.643 40 0 HFABMO CCN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019526229 558907689 /nfs/dbraw/zinc/90/76/89/558907689.db2.gz VFLUERMIGWTITC-NJDAHSKKSA-N 1 1 401.526 2.720 40 0 HFABMO CCOCc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531187 558911931 /nfs/dbraw/zinc/91/19/31/558911931.db2.gz SHFKDVLIXUJMPL-UHFFFAOYSA-N 1 1 420.513 2.978 40 0 HFABMO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1OC ZINC000019549910 558914581 /nfs/dbraw/zinc/91/45/81/558914581.db2.gz WXDFIGXAAMIAFP-PCCBWWKXSA-N 1 1 412.530 2.575 40 0 HFABMO CN(C(=O)c1ccc(CN2CCOCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000072325673 558933401 /nfs/dbraw/zinc/93/34/01/558933401.db2.gz AQUKQTPGUMMWQR-XJKSGUPXSA-N 1 1 402.520 2.536 40 0 HFABMO CN(C(=O)c1ccc(CN2CCOCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000072325673 558933404 /nfs/dbraw/zinc/93/34/04/558933404.db2.gz AQUKQTPGUMMWQR-XJKSGUPXSA-N 1 1 402.520 2.536 40 0 HFABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccc(OC)cc1C(=O)N2 ZINC000072334418 558935621 /nfs/dbraw/zinc/93/56/21/558935621.db2.gz IUJFCZWZESZMIG-XUZZJYLKSA-N 1 1 408.498 2.805 40 0 HFABMO CN(C)c1ncc(C[NH+]2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)cn1 ZINC000019585493 558939025 /nfs/dbraw/zinc/93/90/25/558939025.db2.gz XMARLVJMANKHIO-OAQYLSRUSA-N 1 1 408.550 2.807 40 0 HFABMO COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019593141 558943995 /nfs/dbraw/zinc/94/39/95/558943995.db2.gz ORWUEPIGYHHRAL-HNNXBMFYSA-N 1 1 416.547 2.545 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355195 558952600 /nfs/dbraw/zinc/95/26/00/558952600.db2.gz XXYUXOPNHPXPIW-FQEVSTJZSA-N 1 1 418.545 2.614 40 0 HFABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000072358536 558954065 /nfs/dbraw/zinc/95/40/65/558954065.db2.gz ASULAHHFWHPLOE-KRWDZBQOSA-N 1 1 400.910 2.835 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072359379 558954997 /nfs/dbraw/zinc/95/49/97/558954997.db2.gz RYJIYMOKBDNVIP-QGZVFWFLSA-N 1 1 400.910 2.835 40 0 HFABMO O=C(C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072359379 558954998 /nfs/dbraw/zinc/95/49/98/558954998.db2.gz RYJIYMOKBDNVIP-QGZVFWFLSA-N 1 1 400.910 2.835 40 0 HFABMO Cn1nccc1C[N@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370607 558956951 /nfs/dbraw/zinc/95/69/51/558956951.db2.gz FMSAUWHSIXYSEH-MRXNPFEDSA-N 1 1 412.559 2.954 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708787 558971548 /nfs/dbraw/zinc/97/15/48/558971548.db2.gz LDDNYCBIIRYOQY-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708787 558971551 /nfs/dbraw/zinc/97/15/51/558971551.db2.gz LDDNYCBIIRYOQY-SFHVURJKSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710832 558972907 /nfs/dbraw/zinc/97/29/07/558972907.db2.gz MSSKJEVLLZXKNP-KRWDZBQOSA-N 1 1 423.561 2.988 40 0 HFABMO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710832 558972908 /nfs/dbraw/zinc/97/29/08/558972908.db2.gz MSSKJEVLLZXKNP-KRWDZBQOSA-N 1 1 423.561 2.988 40 0 HFABMO CCn1ncc(C[N@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c1C ZINC000072395544 558974586 /nfs/dbraw/zinc/97/45/86/558974586.db2.gz YVRZAEOJVOFQDS-YADHBBJMSA-N 1 1 409.534 2.816 40 0 HFABMO CCC[NH+]1CCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)CC1 ZINC000072396912 558975739 /nfs/dbraw/zinc/97/57/39/558975739.db2.gz NBRXWKWVYBCXEI-UHFFFAOYSA-N 1 1 400.548 2.815 40 0 HFABMO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100580 559024173 /nfs/dbraw/zinc/02/41/73/559024173.db2.gz OONXNDGRTWNKIA-JOCHJYFZSA-N 1 1 404.576 2.567 40 0 HFABMO O=C(NCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101849 559024922 /nfs/dbraw/zinc/02/49/22/559024922.db2.gz GLCLCYWNJOBNPM-SFHVURJKSA-N 1 1 422.451 2.779 40 0 HFABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c(F)c1 ZINC000585103971 559025900 /nfs/dbraw/zinc/02/59/00/559025900.db2.gz HTKLUTMHIGUCEE-QFIPXVFZSA-N 1 1 417.481 2.690 40 0 HFABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)c(F)c1 ZINC000585103971 559025901 /nfs/dbraw/zinc/02/59/01/559025901.db2.gz HTKLUTMHIGUCEE-QFIPXVFZSA-N 1 1 417.481 2.690 40 0 HFABMO O=C(NCc1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106278 559028706 /nfs/dbraw/zinc/02/87/06/559028706.db2.gz MIGYLOCMFPFVCB-YADHBBJMSA-N 1 1 418.541 2.609 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144160 559096479 /nfs/dbraw/zinc/09/64/79/559096479.db2.gz YGLHLAGGQXSBCV-VWLOTQADSA-N 1 1 420.557 2.935 40 0 HFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)N(C(=O)c2ccccc2)CCS3(=O)=O)cc1 ZINC000096251612 559105570 /nfs/dbraw/zinc/10/55/70/559105570.db2.gz XBHBKCOOVDRKBT-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)N(C(=O)c2ccccc2)CCS3(=O)=O)cc1 ZINC000096251612 559105572 /nfs/dbraw/zinc/10/55/72/559105572.db2.gz XBHBKCOOVDRKBT-FCHUYYIVSA-N 1 1 412.555 2.899 40 0 HFABMO Cc1ccc(OC[C@@]2(O)COCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000585273765 559118530 /nfs/dbraw/zinc/11/85/30/559118530.db2.gz UJJKMDZSGPPEAS-DEOSSOPVSA-N 1 1 414.546 2.578 40 0 HFABMO CCOCC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCC(C)C)[C@H]2CC1 ZINC000107184632 559164804 /nfs/dbraw/zinc/16/48/04/559164804.db2.gz WDYWCGRRWZFVMM-OALUTQOASA-N 1 1 410.580 2.985 40 0 HFABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(OC)cc1 ZINC000005001842 560620246 /nfs/dbraw/zinc/62/02/46/560620246.db2.gz FEGCIHWFMHLMOZ-SFHVURJKSA-N 1 1 408.502 2.601 40 0 HFABMO COc1cccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000408964514 560658918 /nfs/dbraw/zinc/65/89/18/560658918.db2.gz SMHTVNRSNDFXBW-UHFFFAOYSA-N 1 1 421.541 2.892 40 0 HFABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4cc(F)cc(F)c4)C[C@@H]32)c(OC)n1 ZINC000019594820 560875330 /nfs/dbraw/zinc/87/53/30/560875330.db2.gz PBTAOUAWCZBFLG-DHUIEDIVSA-N 1 1 405.445 2.892 40 0 HFABMO COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140267 560881322 /nfs/dbraw/zinc/88/13/22/560881322.db2.gz UFISWOBBQDHJIY-JOCHJYFZSA-N 1 1 406.534 2.535 40 0 HFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000224309717 568577477 /nfs/dbraw/zinc/57/74/77/568577477.db2.gz XPKSOGMOBPJNBQ-UHFFFAOYSA-N 1 1 415.559 2.906 40 0 HFABMO CCn1cc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)c(C)n1 ZINC000257206022 568777904 /nfs/dbraw/zinc/77/79/04/568777904.db2.gz BBNLSMSRTPIJCK-SJBKTWHCSA-N 1 1 423.561 2.894 40 0 HFABMO O=C(c1n[nH]c2c1CCCC2)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257214988 568780510 /nfs/dbraw/zinc/78/05/10/568780510.db2.gz COEXDCLYQCYQCG-XMMPIXPASA-N 1 1 408.546 2.704 40 0 HFABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)ccc2O1 ZINC000257243247 568788369 /nfs/dbraw/zinc/78/83/69/568788369.db2.gz IGBCHTKVGWVEMZ-GOSISDBHSA-N 1 1 424.545 2.975 40 0 HFABMO Cc1ccc(=O)n(CC(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257313880 568808265 /nfs/dbraw/zinc/80/82/65/568808265.db2.gz UUMGURPUZMDOPH-ZWCDFLAXSA-N 1 1 420.557 2.637 40 0 HFABMO O=C(c1n[nH]c2ccccc21)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257322665 568811175 /nfs/dbraw/zinc/81/11/75/568811175.db2.gz WGXSGXPDRNWMCT-XMMPIXPASA-N 1 1 404.514 2.978 40 0 HFABMO O=C(c1[nH]nc2ccccc21)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257322665 568811178 /nfs/dbraw/zinc/81/11/78/568811178.db2.gz WGXSGXPDRNWMCT-XMMPIXPASA-N 1 1 404.514 2.978 40 0 HFABMO O=C(c1[nH]nc2ccccc21)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257322665 568811181 /nfs/dbraw/zinc/81/11/81/568811181.db2.gz WGXSGXPDRNWMCT-XMMPIXPASA-N 1 1 404.514 2.978 40 0 HFABMO O=C(NCc1ccccc1)C1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306129859 568892327 /nfs/dbraw/zinc/89/23/27/568892327.db2.gz IOZMRFPRZNGVLE-DHIUTWEWSA-N 1 1 418.541 2.859 40 0 HFABMO CC(C)n1ccc(-c2nc(C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccn32)c1 ZINC000306134908 568896865 /nfs/dbraw/zinc/89/68/65/568896865.db2.gz OBHQIEIBHWJTRN-UHFFFAOYSA-N 1 1 408.550 2.751 40 0 HFABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4nnc(C(=O)NCc5ccc(F)cc5)n4CC[C@@H]3C2)o1 ZINC000306138959 568900938 /nfs/dbraw/zinc/90/09/38/568900938.db2.gz SLTKCMBPEBTNIK-APWZRJJASA-N 1 1 409.465 2.868 40 0 HFABMO COc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)c1 ZINC000306142007 568903456 /nfs/dbraw/zinc/90/34/56/568903456.db2.gz WMQCXBBSUCTVOW-QZTJIDSGSA-N 1 1 403.486 2.843 40 0 HFABMO COc1ccccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306142826 568904487 /nfs/dbraw/zinc/90/44/87/568904487.db2.gz XLDHINRYTJVFGK-SJORKVTESA-N 1 1 421.476 2.982 40 0 HFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306144270 568905593 /nfs/dbraw/zinc/90/55/93/568905593.db2.gz ZAUYUNSRSGWILJ-ISKFKSNPSA-N 1 1 407.514 2.697 40 0 HFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306144791 568906344 /nfs/dbraw/zinc/90/63/44/568906344.db2.gz ZONKHPUOQBGCPF-GGAORHGYSA-N 1 1 420.538 2.935 40 0 HFABMO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022467500 569042553 /nfs/dbraw/zinc/04/25/53/569042553.db2.gz JOZXRSYLUSCDTH-NRFANRHFSA-N 1 1 417.937 2.856 40 0 HFABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019462441 569345521 /nfs/dbraw/zinc/34/55/21/569345521.db2.gz CFNKKKRZSVULGS-CEXWTWQISA-N 1 1 400.567 2.654 40 0 HFABMO CC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000015674136 291215289 /nfs/dbraw/zinc/21/52/89/291215289.db2.gz QEBWTQONEVDGRG-SJORKVTESA-N 1 1 424.423 2.874 40 0 biogenic,in-vitro HFABMO CC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000015674136 291215291 /nfs/dbraw/zinc/21/52/91/291215291.db2.gz QEBWTQONEVDGRG-SJORKVTESA-N 1 1 424.423 2.874 40 0 biogenic,in-vitro HFABMO CN(Cc1nc(C2(O)CC[NH+](C3CCN(C)CC3)CC2)cs1)Cc1cccnc1 ZINC000225425710 291220712 /nfs/dbraw/zinc/22/07/12/291220712.db2.gz YUIWGNUMQXYNIE-UHFFFAOYSA-N 1 1 415.607 2.548 40 0 biogenic,in-vitro HFABMO O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)c1cccs1 ZINC000008635721 291230141 /nfs/dbraw/zinc/23/01/41/291230141.db2.gz OKBJCVAHQCERCU-IPMKNSEASA-N 1 1 417.600 2.800 40 0 biogenic,in-vitro HFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@H]2CCCN(C(=O)C(C)C)C2)on1 ZINC000012119470 132354564 /nfs/dbraw/zinc/35/45/64/132354564.db2.gz VHLVQJKMJVODSX-KRWDZBQOSA-N 1 1 412.538 2.554 40 0 HFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 ZINC000019741299 558262028 /nfs/dbraw/zinc/26/20/28/558262028.db2.gz KMRZDWFIJLZRNO-SFHVURJKSA-N 1 1 408.550 2.896 40 0 HFABMO Nc1[nH]nc2nc(C3CC[NH+](CC(=O)N4CCCCC4)CC3)cc(C(F)(F)F)c12 ZINC000019745068 558265688 /nfs/dbraw/zinc/26/56/88/558265688.db2.gz VEDRSHGEMQHJAJ-UHFFFAOYSA-N 1 1 410.444 2.751 40 0 HFABMO Cc1[nH+]ccn1CCC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000019749528 558269074 /nfs/dbraw/zinc/26/90/74/558269074.db2.gz XPAOESBXXLBZBK-FQEVSTJZSA-N 1 1 416.547 2.606 40 0 HFABMO O=C(C[N@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1)N1CCC1 ZINC000019761035 558276306 /nfs/dbraw/zinc/27/63/06/558276306.db2.gz ATSHYZJHOKYSFV-HNNXBMFYSA-N 1 1 421.526 2.965 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760975 558276453 /nfs/dbraw/zinc/27/64/53/558276453.db2.gz ZKNLIPZCWTUCMN-CQSZACIVSA-N 1 1 409.515 2.821 40 0 HFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1F ZINC000012366348 558388250 /nfs/dbraw/zinc/38/82/50/558388250.db2.gz PDPUJNBLBXOGHE-VSOVRNOCSA-N 1 1 401.457 2.957 40 0 HFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000022432100 558489458 /nfs/dbraw/zinc/48/94/58/558489458.db2.gz HOONPCACWRBALT-UHFFFAOYSA-N 1 1 412.515 2.572 40 0 HFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000022453073 558490281 /nfs/dbraw/zinc/49/02/81/558490281.db2.gz UCIWUQAFIWRWFY-SFHVURJKSA-N 1 1 416.591 2.812 40 0 HFABMO CCN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1)S(C)(=O)=O ZINC000022515089 558493692 /nfs/dbraw/zinc/49/36/92/558493692.db2.gz UGZCWELHDFDDLF-UHFFFAOYSA-N 1 1 412.515 2.897 40 0 HFABMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000022587162 558499982 /nfs/dbraw/zinc/49/99/82/558499982.db2.gz GIZNKRABTUYBJH-NRFANRHFSA-N 1 1 411.546 2.608 40 0 HFABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944357 558746237 /nfs/dbraw/zinc/74/62/37/558746237.db2.gz XTVXOGBIKAPLSI-OAHLLOKOSA-N 1 1 400.350 2.654 40 0 HFABMO O=C(NCCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000030944357 558746239 /nfs/dbraw/zinc/74/62/39/558746239.db2.gz XTVXOGBIKAPLSI-OAHLLOKOSA-N 1 1 400.350 2.654 40 0 HFABMO CC(C)C(=O)N1CCC[C@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2ccncc2)C1 ZINC000019085445 558841139 /nfs/dbraw/zinc/84/11/39/558841139.db2.gz MVNVRXVMJIFCKU-IBGZPJMESA-N 1 1 408.550 2.652 40 0 HFABMO Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCCC2)CC3)n1 ZINC000019290945 558863385 /nfs/dbraw/zinc/86/33/85/558863385.db2.gz MVTUHLUFEMJKBQ-HXUWFJFHSA-N 1 1 424.549 2.562 40 0 HFABMO O=C1CCC[C@]2(C[N@@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccncc2)N1 ZINC000019405426 558884890 /nfs/dbraw/zinc/88/48/90/558884890.db2.gz GXSHYPVIOLNWGA-NZQKXSOJSA-N 1 1 406.534 2.500 40 0 HFABMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c2ccccc21 ZINC000019449933 558888460 /nfs/dbraw/zinc/88/84/60/558888460.db2.gz KIIWAJNTDAHMKO-NRFANRHFSA-N 1 1 412.578 2.853 40 0 HFABMO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)[nH]n1 ZINC000019451841 558889893 /nfs/dbraw/zinc/88/98/93/558889893.db2.gz FAMAZUJQSQWWGI-LJQANCHMSA-N 1 1 412.538 2.750 40 0 HFABMO COCCOc1ccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1OC ZINC000019453755 558890932 /nfs/dbraw/zinc/89/09/32/558890932.db2.gz BXQZAKLDGSBFRQ-UHFFFAOYSA-N 1 1 401.507 2.528 40 0 HFABMO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019463345 558894280 /nfs/dbraw/zinc/89/42/80/558894280.db2.gz ULFOUKLGNKCACO-DKICVRJWSA-N 1 1 410.493 2.787 40 0 HFABMO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019463345 558894282 /nfs/dbraw/zinc/89/42/82/558894282.db2.gz ULFOUKLGNKCACO-DKICVRJWSA-N 1 1 410.493 2.787 40 0 HFABMO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)C1 ZINC000019501124 558899082 /nfs/dbraw/zinc/89/90/82/558899082.db2.gz LFCLFRRBCNJCSV-QGZVFWFLSA-N 1 1 410.518 2.865 40 0 HFABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN([C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000019523561 558904690 /nfs/dbraw/zinc/90/46/90/558904690.db2.gz AABREMRLSFBYBA-DENIHFKCSA-N 1 1 420.561 2.749 40 0 HFABMO CCn1cc(-c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)on2)c(C)n1 ZINC000019524724 558905842 /nfs/dbraw/zinc/90/58/42/558905842.db2.gz LGVHHHAZGXVJCF-UHFFFAOYSA-N 1 1 409.490 2.629 40 0 HFABMO COc1cc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019550108 558914861 /nfs/dbraw/zinc/91/48/61/558914861.db2.gz GUTWLDJONLWFSS-UHFFFAOYSA-N 1 1 420.460 2.581 40 0 HFABMO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCN(C(=O)C5CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555543 558918239 /nfs/dbraw/zinc/91/82/39/558918239.db2.gz AXPMBBUJJZFBLP-GOSISDBHSA-N 1 1 422.529 2.865 40 0 HFABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1C ZINC000019567319 558926704 /nfs/dbraw/zinc/92/67/04/558926704.db2.gz USNGWXMCOANATR-SFHVURJKSA-N 1 1 412.534 2.612 40 0 HFABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019570575 558929450 /nfs/dbraw/zinc/92/94/50/558929450.db2.gz QNQQOQOKVOAIHW-SFHVURJKSA-N 1 1 422.529 2.865 40 0 HFABMO CSc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019574126 558931781 /nfs/dbraw/zinc/93/17/81/558931781.db2.gz WYECRBYHUKEYKS-INIZCTEOSA-N 1 1 400.552 2.652 40 0 HFABMO CN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019588182 558940104 /nfs/dbraw/zinc/94/01/04/558940104.db2.gz KIBNHIFLHIRUAT-DHIUTWEWSA-N 1 1 423.532 2.967 40 0 HFABMO CN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019588182 558940105 /nfs/dbraw/zinc/94/01/05/558940105.db2.gz KIBNHIFLHIRUAT-DHIUTWEWSA-N 1 1 423.532 2.967 40 0 HFABMO COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019592837 558943847 /nfs/dbraw/zinc/94/38/47/558943847.db2.gz DZVFWHGFBYVIFC-IBGZPJMESA-N 1 1 402.539 2.821 40 0 HFABMO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019593164 558944005 /nfs/dbraw/zinc/94/40/05/558944005.db2.gz BIAOFGBEFLGQGR-GOSISDBHSA-N 1 1 416.547 2.892 40 0 HFABMO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019593164 558944007 /nfs/dbraw/zinc/94/40/07/558944007.db2.gz BIAOFGBEFLGQGR-GOSISDBHSA-N 1 1 416.547 2.892 40 0 HFABMO COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000072347483 558944441 /nfs/dbraw/zinc/94/44/41/558944441.db2.gz FUUHYYVGNZRROZ-INIZCTEOSA-N 1 1 422.529 2.849 40 0 HFABMO COCc1ccc(OC)c(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019594333 558945086 /nfs/dbraw/zinc/94/50/86/558945086.db2.gz BWEDLRZEKVFBTM-SFHVURJKSA-N 1 1 406.486 2.976 40 0 HFABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(-n3ccnc3)cc2)CC1 ZINC000019657978 558949803 /nfs/dbraw/zinc/94/98/03/558949803.db2.gz NSDXBARWMWAVHZ-UHFFFAOYSA-N 1 1 417.513 2.938 40 0 HFABMO CC(=O)N1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355246 558952595 /nfs/dbraw/zinc/95/25/95/558952595.db2.gz FJEJFRPOXGHMSZ-IBGZPJMESA-N 1 1 406.534 2.547 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371358 558958206 /nfs/dbraw/zinc/95/82/06/558958206.db2.gz TYLLMJXLPURBEJ-CQSZACIVSA-N 1 1 410.440 2.928 40 0 HFABMO CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371358 558958209 /nfs/dbraw/zinc/95/82/09/558958209.db2.gz TYLLMJXLPURBEJ-CQSZACIVSA-N 1 1 410.440 2.928 40 0 HFABMO CN(C)C(=O)C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371358 558958211 /nfs/dbraw/zinc/95/82/11/558958211.db2.gz TYLLMJXLPURBEJ-CQSZACIVSA-N 1 1 410.440 2.928 40 0 HFABMO Cc1nonc1CNC(=O)C1(Cc2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372237 558959533 /nfs/dbraw/zinc/95/95/33/558959533.db2.gz XGKVJLDKSLDIHP-HXUWFJFHSA-N 1 1 412.534 2.843 40 0 HFABMO CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000019697304 558964919 /nfs/dbraw/zinc/96/49/19/558964919.db2.gz AYIZSEZTSRWWGH-OAQYLSRUSA-N 1 1 421.545 2.569 40 0 HFABMO CCc1ncc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cc(NC)ncn4)n3)C2)cn1 ZINC000072378083 558967367 /nfs/dbraw/zinc/96/73/67/558967367.db2.gz JXURKUSEKCEWRA-INIZCTEOSA-N 1 1 405.510 2.784 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019708862 558971501 /nfs/dbraw/zinc/97/15/01/558971501.db2.gz KQRYZQUMMQRXOA-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCc1ccccc1OC)CC2 ZINC000019710327 558972158 /nfs/dbraw/zinc/97/21/58/558972158.db2.gz FWLDAFDVXJYBKS-GOSISDBHSA-N 1 1 423.561 2.854 40 0 HFABMO C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000072399051 558976532 /nfs/dbraw/zinc/97/65/32/558976532.db2.gz GYIXNGBNPZDIMQ-YQQAZPJKSA-N 1 1 412.559 2.752 40 0 HFABMO Cc1ccc([C@@H]2C[N@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000257328494 559012466 /nfs/dbraw/zinc/01/24/66/559012466.db2.gz XFWBVZLYKTZAPZ-PBWTXFEYSA-N 1 1 400.548 2.665 40 0 HFABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000257328494 559012468 /nfs/dbraw/zinc/01/24/68/559012468.db2.gz XFWBVZLYKTZAPZ-PBWTXFEYSA-N 1 1 400.548 2.665 40 0 HFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106183 559028571 /nfs/dbraw/zinc/02/85/71/559028571.db2.gz VUQZLOHMPPDKCW-UHOSZYNNSA-N 1 1 417.981 2.968 40 0 HFABMO C[N@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)c3ccc5c(c3)OCO5)CC4)c2C1 ZINC000585111201 559031674 /nfs/dbraw/zinc/03/16/74/559031674.db2.gz IUFBHDGASMXBME-UHFFFAOYSA-N 1 1 416.481 2.923 40 0 HFABMO O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC21CCN(Cc2ccc(F)cc2)CC1 ZINC000096036343 559089952 /nfs/dbraw/zinc/08/99/52/559089952.db2.gz SEFMEJIIWYCRFQ-DEOSSOPVSA-N 1 1 408.521 2.825 40 0 HFABMO O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CCN(Cc2ccc(F)cc2)CC1 ZINC000096036343 559089954 /nfs/dbraw/zinc/08/99/54/559089954.db2.gz SEFMEJIIWYCRFQ-DEOSSOPVSA-N 1 1 408.521 2.825 40 0 HFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Cc3ccsc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144196 559096475 /nfs/dbraw/zinc/09/64/75/559096475.db2.gz XDVASLYQRCFBQW-QFIPXVFZSA-N 1 1 403.592 2.720 40 0 HFABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144366 559096712 /nfs/dbraw/zinc/09/67/12/559096712.db2.gz RXHWNTHRSJIHGL-HSZRJFAPSA-N 1 1 414.550 2.501 40 0 HFABMO CC(C)CC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145922 559097638 /nfs/dbraw/zinc/09/76/38/559097638.db2.gz IDSXTAHHBUIVFY-OALUTQOASA-N 1 1 409.596 2.510 40 0 HFABMO CC(C)CC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145922 559097640 /nfs/dbraw/zinc/09/76/40/559097640.db2.gz IDSXTAHHBUIVFY-OALUTQOASA-N 1 1 409.596 2.510 40 0 HFABMO C[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)C[C@H](C)O1 ZINC000096156172 559100280 /nfs/dbraw/zinc/10/02/80/559100280.db2.gz JHWLUCMKLCBTBB-WSTZPKSXSA-N 1 1 419.529 2.968 40 0 HFABMO Cc1cnc(C(=O)N2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)cn1 ZINC000096242491 559104111 /nfs/dbraw/zinc/10/41/11/559104111.db2.gz QSYWYNSZKOMWOD-UHFFFAOYSA-N 1 1 419.573 2.870 40 0 HFABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OC)c(OCCOC)c1 ZINC000585269963 559116073 /nfs/dbraw/zinc/11/60/73/559116073.db2.gz RCAQNXUCJQNKIH-LJQANCHMSA-N 1 1 419.518 2.991 40 0 HFABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287594 559123138 /nfs/dbraw/zinc/12/31/38/559123138.db2.gz PGHNQXJRRJERHG-BPCBYJRWSA-N 1 1 409.542 2.970 40 0 HFABMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257210098 559282612 /nfs/dbraw/zinc/28/26/12/559282612.db2.gz BTDQYYYAYJOLQG-HSZRJFAPSA-N 1 1 405.502 2.524 40 0 HFABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257311783 559286151 /nfs/dbraw/zinc/28/61/51/559286151.db2.gz UKZMULWUGNIHPA-FQEVSTJZSA-N 1 1 404.551 2.830 40 0 HFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257308799 559286212 /nfs/dbraw/zinc/28/62/12/559286212.db2.gz TYDIVHZHLBKLIX-FQEVSTJZSA-N 1 1 404.551 2.830 40 0 HFABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000575402649 560546703 /nfs/dbraw/zinc/54/67/03/560546703.db2.gz DQYXUVZISYLKKV-PGRDOPGGSA-N 1 1 407.514 2.525 40 0 HFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)[C@H]3Cc4ccccc4O3)C2)OC1 ZINC000575403344 560546904 /nfs/dbraw/zinc/54/69/04/560546904.db2.gz IJDBNMKEDOCCEK-DENIHFKCSA-N 1 1 407.514 2.525 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@H+]3C)cc1 ZINC000575404180 560547109 /nfs/dbraw/zinc/54/71/09/560547109.db2.gz QIPWNCXSZWLFOS-IBGZPJMESA-N 1 1 415.559 2.692 40 0 HFABMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@@H+]3C)cc1 ZINC000575404180 560547110 /nfs/dbraw/zinc/54/71/10/560547110.db2.gz QIPWNCXSZWLFOS-IBGZPJMESA-N 1 1 415.559 2.692 40 0 HFABMO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000001380845 560582955 /nfs/dbraw/zinc/58/29/55/560582955.db2.gz JZTIJKABPVWTFJ-UHFFFAOYSA-N 1 1 411.437 2.633 40 0 aggregator HFABMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)n2ncnc2N1 ZINC000022438249 568486361 /nfs/dbraw/zinc/48/63/61/568486361.db2.gz DEXXFFFRZIRAHZ-QFIPXVFZSA-N 1 1 414.513 2.911 40 0 HFABMO CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026441017 568549551 /nfs/dbraw/zinc/54/95/51/568549551.db2.gz VVKRBGMFRAJLGC-UHFFFAOYSA-N 1 1 422.529 2.889 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000224860717 568600810 /nfs/dbraw/zinc/60/08/10/568600810.db2.gz PKHZAQKBLBNRFJ-HXUWFJFHSA-N 1 1 409.596 2.527 40 0 HFABMO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC[NH+]1CCOCC1 ZINC000225053425 568611387 /nfs/dbraw/zinc/61/13/87/568611387.db2.gz NMIRXFZNIDNATB-SILNSSARSA-N 1 1 413.543 2.666 40 0 HFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225511440 568645072 /nfs/dbraw/zinc/64/50/72/568645072.db2.gz TUFXTSVONLHYHA-WOJBJXKFSA-N 1 1 421.607 2.858 40 0 HFABMO Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)C[NH+]3CCCCC3)[C@H]2C(C)C)cc1 ZINC000247994296 568746882 /nfs/dbraw/zinc/74/68/82/568746882.db2.gz AOTICUSQQDCENT-RXVVDRJESA-N 1 1 407.580 2.684 40 0 HFABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)N1CCc2ccccc21 ZINC000257200660 568776275 /nfs/dbraw/zinc/77/62/75/568776275.db2.gz AEHSISWLJJLJBP-ZCYQVOJMSA-N 1 1 405.542 2.677 40 0 HFABMO c1cnc2c(c1)cccc2C[C@@H]1COCC[N@@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000257217123 568780970 /nfs/dbraw/zinc/78/09/70/568780970.db2.gz CXOALVUVWGJASI-IBGZPJMESA-N 1 1 419.529 2.553 40 0 HFABMO c1cnc2c(c1)cccc2C[C@H]1COCC[N@@H+](Cc2ccnc(N3CCOCC3)n2)C1 ZINC000257217124 568781025 /nfs/dbraw/zinc/78/10/25/568781025.db2.gz CXOALVUVWGJASI-LJQANCHMSA-N 1 1 419.529 2.553 40 0 HFABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309714 568807249 /nfs/dbraw/zinc/80/72/49/568807249.db2.gz UCCFHGNNZNPOBI-HXUWFJFHSA-N 1 1 415.501 2.639 40 0 HFABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257309714 568807252 /nfs/dbraw/zinc/80/72/52/568807252.db2.gz UCCFHGNNZNPOBI-HXUWFJFHSA-N 1 1 415.501 2.639 40 0 HFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC000257340833 568816194 /nfs/dbraw/zinc/81/61/94/568816194.db2.gz ZHRNWACTMGBFDZ-DEOSSOPVSA-N 1 1 414.521 2.736 40 0 HFABMO CN1C[C@H](C(=O)NCc2cccs2)OC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306123068 568886307 /nfs/dbraw/zinc/88/63/07/568886307.db2.gz ADUREHQGFKRQPF-HXUWFJFHSA-N 1 1 417.550 2.869 40 0 HFABMO CC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306125068 568887844 /nfs/dbraw/zinc/88/78/44/568887844.db2.gz CGEHQONXOYPJSU-FYYLOGMGSA-N 1 1 411.477 2.656 40 0 HFABMO O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@@]1(CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306126777 568889472 /nfs/dbraw/zinc/88/94/72/568889472.db2.gz FEZYZIOOXBADGG-RUZDIDTESA-N 1 1 414.509 2.721 40 0 HFABMO COc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130119 568892483 /nfs/dbraw/zinc/89/24/83/568892483.db2.gz IWNPVSVMNUENQS-IBGZPJMESA-N 1 1 407.518 2.954 40 0 HFABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306130360 568892739 /nfs/dbraw/zinc/89/27/39/568892739.db2.gz JDKBTWHNXDXAHP-ZCYQVOJMSA-N 1 1 414.509 2.874 40 0 HFABMO CC(C)n1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306131592 568893900 /nfs/dbraw/zinc/89/39/00/568893900.db2.gz KJJYIUYJPPTEJW-QZTJIDSGSA-N 1 1 405.506 2.612 40 0 HFABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000306135258 568897331 /nfs/dbraw/zinc/89/73/31/568897331.db2.gz OLYVURFGGLJBQC-GCJKJVERSA-N 1 1 407.514 2.525 40 0 HFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306136342 568898208 /nfs/dbraw/zinc/89/82/08/568898208.db2.gz PQMUAVORWZQSIC-SJORKVTESA-N 1 1 417.469 2.563 40 0 HFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000306142046 568903485 /nfs/dbraw/zinc/90/34/85/568903485.db2.gz WNPASNWHBUJQTK-VQTJNVASSA-N 1 1 402.454 2.693 40 0 HFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccn1 ZINC000306142046 568903486 /nfs/dbraw/zinc/90/34/86/568903486.db2.gz WNPASNWHBUJQTK-VQTJNVASSA-N 1 1 402.454 2.693 40 0 HFABMO O=C(NCCc1cnc[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101493775 569013660 /nfs/dbraw/zinc/01/36/60/569013660.db2.gz MYLVTZNJYAHIHL-GASCZTMLSA-N 1 1 424.954 2.507 40 0 HFABMO CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546892 569050134 /nfs/dbraw/zinc/05/01/34/569050134.db2.gz IEFGRADEUAHHMH-YLJYHZDGSA-N 1 1 407.605 2.935 40 0 HFABMO Cn1nc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257198830 569058950 /nfs/dbraw/zinc/05/89/50/569058950.db2.gz JOOVBUDCBFQMDE-KXXHFCIOSA-N 1 1 418.541 2.969 40 0 HFABMO c1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)ccn1 ZINC000253588428 569318060 /nfs/dbraw/zinc/31/80/60/569318060.db2.gz BYXODLRNBQEJRG-UYAOXDASSA-N 1 1 409.534 2.591 40 0 HFABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219529 569344764 /nfs/dbraw/zinc/34/47/64/569344764.db2.gz NCCCWHSQAMPDHF-IBGZPJMESA-N 1 1 407.518 2.956 40 0 HFABMO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O ZINC000019701356 569347268 /nfs/dbraw/zinc/34/72/68/569347268.db2.gz XQNWJBHRLCZVOU-UHFFFAOYSA-N 1 1 416.541 2.833 40 0 HFABMO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3NC1=O)[N@@H+]1CCC[C@@H]21 ZINC000009332547 569392375 /nfs/dbraw/zinc/39/23/75/569392375.db2.gz DANMZDFCDJOVND-GSRZOBFVSA-N 1 1 401.466 2.735 40 0 HFABMO OCCCNc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329059609 571308360 /nfs/dbraw/zinc/30/83/60/571308360.db2.gz WIICXQFUKWGFHQ-UHFFFAOYSA-N 1 1 403.324 3.474 40 0 HFABMO