smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C2CCN(c3ccc(CN(C)C4CC4)cn3)CC2)CC1 ZINC001164617174 719032591 /nfs/dbraw/zinc/03/25/91/719032591.db2.gz IUHKAVBQEJVTDK-UHFFFAOYSA-N 1 3 400.567 2.920 20 0 HFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]21 ZINC001164835656 720589744 /nfs/dbraw/zinc/58/97/44/720589744.db2.gz CEOKGAQNKYNNLS-UWVAXJGDSA-N 1 3 414.985 2.955 20 0 HFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]21 ZINC001164835656 720589754 /nfs/dbraw/zinc/58/97/54/720589754.db2.gz CEOKGAQNKYNNLS-UWVAXJGDSA-N 1 3 414.985 2.955 20 0 HFADHO COc1cnccc1N1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000793086274 1078064898 /nfs/dbraw/zinc/06/48/98/1078064898.db2.gz SRZVBFUJGLHPRG-UHFFFAOYSA-N 1 3 401.555 2.719 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)N1CCCCC1 ZINC000793713732 1078262133 /nfs/dbraw/zinc/26/21/33/1078262133.db2.gz APXLQLPHPJKRBB-WOJBJXKFSA-N 1 3 414.594 2.757 20 0 HFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560270 1076864361 /nfs/dbraw/zinc/86/43/61/1076864361.db2.gz MCZIAFWILOPXOW-NRFANRHFSA-N 1 3 400.567 2.767 20 0 HFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560270 1076864368 /nfs/dbraw/zinc/86/43/68/1076864368.db2.gz MCZIAFWILOPXOW-NRFANRHFSA-N 1 3 400.567 2.767 20 0 HFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000787752625 1076927741 /nfs/dbraw/zinc/92/77/41/1076927741.db2.gz CXNITGANTNSPEU-HSZRJFAPSA-N 1 3 422.573 2.660 20 0 HFADHO Cc1cnc2c(N(CC[NH3+])c3ccc4c(c3)COC43CNC3)nc3ccc(C)cc3n12 ZINC001170147821 1077282811 /nfs/dbraw/zinc/28/28/11/1077282811.db2.gz HQWRFOIUARLYAV-UHFFFAOYSA-N 1 3 414.513 2.925 20 0 HFADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942794 1077372843 /nfs/dbraw/zinc/37/28/43/1077372843.db2.gz YDBCOOAPVALPGF-YADHBBJMSA-N 1 3 402.583 2.602 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164614683 719009861 /nfs/dbraw/zinc/00/98/61/719009861.db2.gz GECCXHXEYRQFCV-YKSBVNFPSA-N 1 3 412.578 2.827 20 0 HFADHO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N)n3)CC2)c2ccccc21 ZINC001164679950 719662515 /nfs/dbraw/zinc/66/25/15/719662515.db2.gz BEERNZZECVWBLD-GOSISDBHSA-N 1 3 407.562 2.757 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCCC1 ZINC000793720102 1078265013 /nfs/dbraw/zinc/26/50/13/1078265013.db2.gz GBBSTXROZMPHBA-FQEVSTJZSA-N 1 3 414.594 2.669 20 0 HFADHO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906033 /nfs/dbraw/zinc/90/60/33/1078906033.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 1 3 408.974 2.885 20 0 HFADHO CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906035 /nfs/dbraw/zinc/90/60/35/1078906035.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 1 3 408.974 2.885 20 0 HFADHO COc1cnccc1N1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000792867327 1078011545 /nfs/dbraw/zinc/01/15/45/1078011545.db2.gz MTPQQGIPPOIKRP-UHFFFAOYSA-N 1 3 415.582 2.967 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3cnc(OC4CCOCC4)cn3)c3ccccc23)CC1 ZINC001170528254 1080791770 /nfs/dbraw/zinc/79/17/70/1080791770.db2.gz IGOHBOSFMARRCW-UHFFFAOYSA-N 1 3 421.545 2.944 20 0 HFADHO Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808996 721532473 /nfs/dbraw/zinc/53/24/73/721532473.db2.gz SXOWWFDOUQVAFW-ZRCGQRJVSA-N 1 3 408.550 2.648 20 0 HFADHO Cc1ccc(N(c2ccc(CN(C)C3CC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959855 722025389 /nfs/dbraw/zinc/02/53/89/722025389.db2.gz JCUSKQTXXYINSN-NFBKMPQASA-N 1 3 408.550 2.823 20 0 HFADHO C[N@H+](Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146536 /nfs/dbraw/zinc/14/65/36/722146536.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 1 3 407.562 2.798 20 0 HFADHO C[N@@H+](Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146538 /nfs/dbraw/zinc/14/65/38/722146538.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 1 3 407.562 2.798 20 0 HFADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1)CC(C)C ZINC000793694069 1078270369 /nfs/dbraw/zinc/27/03/69/1078270369.db2.gz BDLJCTMEWQIXIL-FQEVSTJZSA-N 1 3 408.631 2.584 20 0 HFADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1)CC(C)C ZINC000793694069 1078270373 /nfs/dbraw/zinc/27/03/73/1078270373.db2.gz BDLJCTMEWQIXIL-FQEVSTJZSA-N 1 3 408.631 2.584 20 0 HFADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000805940770 1079343731 /nfs/dbraw/zinc/34/37/31/1079343731.db2.gz BVNZBQQAMZNDHG-JSRJAPPDSA-N 1 3 414.594 2.536 20 0 HFADHO C[NH+]1CCC(N2CCC(NC(=O)NOCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000746721228 1077007908 /nfs/dbraw/zinc/00/79/08/1077007908.db2.gz JTLNOCJQIFIIOZ-UHFFFAOYSA-N 1 3 414.472 2.995 20 0 HFADHO CC[N@H+](CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015829 /nfs/dbraw/zinc/01/58/29/1078015829.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 1 3 404.599 2.695 20 0 HFADHO CC[N@@H+](CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015834 /nfs/dbraw/zinc/01/58/34/1078015834.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 1 3 404.599 2.695 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)CN3CC[N@H+](C)C4(CCCCC4)C3)cc2)CC1 ZINC001170423290 1078029926 /nfs/dbraw/zinc/02/99/26/1078029926.db2.gz BWMCGSDPUGHXMF-UHFFFAOYSA-N 1 3 413.610 2.717 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)CN3CC[N@@H+](C)C4(CCCCC4)C3)cc2)CC1 ZINC001170423290 1078029931 /nfs/dbraw/zinc/02/99/31/1078029931.db2.gz BWMCGSDPUGHXMF-UHFFFAOYSA-N 1 3 413.610 2.717 20 0 HFADHO CCOC(=O)C1=C(Nc2ccc(CN3CCN(C(C)C)CC3)cc2F)CC[NH2+]C1 ZINC001170521651 1080506104 /nfs/dbraw/zinc/50/61/04/1080506104.db2.gz LAYIAHPVDVBSQM-UHFFFAOYSA-N 1 3 404.530 2.574 20 0 HFADHO [NH3+][C@]12C[C@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164418497 718887737 /nfs/dbraw/zinc/88/77/37/718887737.db2.gz OQIBPSZLWZINCJ-AOMKIAJQSA-N 1 3 424.932 2.934 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833955 720512821 /nfs/dbraw/zinc/51/28/21/720512821.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 1 3 409.582 2.960 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833955 720512827 /nfs/dbraw/zinc/51/28/27/720512827.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 1 3 409.582 2.960 20 0 HFADHO CN(C)Cc1ccnc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164845262 720743386 /nfs/dbraw/zinc/74/33/86/720743386.db2.gz YHEKILGYOFYFPH-UHFFFAOYSA-N 1 3 403.534 2.501 20 0 HFADHO Cc1ccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964293 722025461 /nfs/dbraw/zinc/02/54/61/722025461.db2.gz WGYKEHHDZHGOQI-NFBKMPQASA-N 1 3 408.550 2.825 20 0 HFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300867 1076748775 /nfs/dbraw/zinc/74/87/75/1076748775.db2.gz WLWZRTPYTRJBJK-ZZYHAFTGSA-N 1 3 424.589 2.670 20 0 HFADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057274 1077663602 /nfs/dbraw/zinc/66/36/02/1077663602.db2.gz ORZZZYCVXHXXKD-FGZHOGPDSA-N 1 3 402.583 2.747 20 0 HFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017748 /nfs/dbraw/zinc/01/77/48/1078017748.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 1 3 404.599 2.837 20 0 HFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017754 /nfs/dbraw/zinc/01/77/54/1078017754.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 1 3 404.599 2.837 20 0 HFADHO Cn1cnc2nc(Cl)nc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c21 ZINC001170523000 1080564760 /nfs/dbraw/zinc/56/47/60/1080564760.db2.gz WMQAFIYMWAGOEE-UHFFFAOYSA-N 1 3 409.925 2.926 20 0 HFADHO COC(=O)c1c(OC)ccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524289 1080608048 /nfs/dbraw/zinc/60/80/48/1080608048.db2.gz JZFKQJBIQHEVEM-UHFFFAOYSA-N 1 3 408.502 2.786 20 0 HFADHO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N)n3)CC2)c2ccccc21 ZINC001164679951 719663159 /nfs/dbraw/zinc/66/31/59/719663159.db2.gz BEERNZZECVWBLD-SFHVURJKSA-N 1 3 407.562 2.757 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833949 720513411 /nfs/dbraw/zinc/51/34/11/720513411.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 1 3 409.582 2.960 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833949 720513413 /nfs/dbraw/zinc/51/34/13/720513413.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 1 3 409.582 2.960 20 0 HFADHO CN1CCc2nc(Cl)nc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2C1 ZINC001164796057 721597328 /nfs/dbraw/zinc/59/73/28/721597328.db2.gz BCGUASITMWXOKS-UHFFFAOYSA-N 1 3 412.900 2.798 20 0 HFADHO c1ccc(CN2CCc3nc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070112 /nfs/dbraw/zinc/07/01/12/722070112.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 1 3 404.558 2.939 20 0 HFADHO c1ccc(CN2CCc3nc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070115 /nfs/dbraw/zinc/07/01/15/722070115.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 1 3 404.558 2.939 20 0 HFADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977052 722138892 /nfs/dbraw/zinc/13/88/92/722138892.db2.gz IDYXZHOVAYBZOC-GOTSBHOMSA-N 1 3 407.562 2.800 20 0 HFADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942787 1077372823 /nfs/dbraw/zinc/37/28/23/1077372823.db2.gz YDBCOOAPVALPGF-FGZHOGPDSA-N 1 3 402.583 2.602 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784061 /nfs/dbraw/zinc/78/40/61/1077784061.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 1 3 404.551 2.744 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784069 /nfs/dbraw/zinc/78/40/69/1077784069.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 1 3 404.551 2.744 20 0 HFADHO CC[NH+]1CCC(NC(=O)CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000792330141 1077792586 /nfs/dbraw/zinc/79/25/86/1077792586.db2.gz BBEHSNLUPABUON-UHFFFAOYSA-N 1 3 422.614 2.700 20 0 HFADHO CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170523019 1080567292 /nfs/dbraw/zinc/56/72/92/1080567292.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 1 3 421.545 2.626 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822858 720344228 /nfs/dbraw/zinc/34/42/28/720344228.db2.gz FZMGHEYXHBQGOA-FCHUYYIVSA-N 1 3 411.594 2.587 20 0 HFADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]21 ZINC001164835658 720590038 /nfs/dbraw/zinc/59/00/38/720590038.db2.gz CEOKGAQNKYNNLS-ZWOKBUDYSA-N 1 3 414.985 2.955 20 0 HFADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]21 ZINC001164835658 720590058 /nfs/dbraw/zinc/59/00/58/720590058.db2.gz CEOKGAQNKYNNLS-ZWOKBUDYSA-N 1 3 414.985 2.955 20 0 HFADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800822 /nfs/dbraw/zinc/80/08/22/720800822.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 1 3 408.550 2.760 20 0 HFADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800823 /nfs/dbraw/zinc/80/08/23/720800823.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 1 3 408.550 2.760 20 0 HFADHO Cc1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964296 722025362 /nfs/dbraw/zinc/02/53/62/722025362.db2.gz WGYKEHHDZHGOQI-NZQKXSOJSA-N 1 3 408.550 2.825 20 0 HFADHO CC[N@H+](CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018702 /nfs/dbraw/zinc/01/87/02/1078018702.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 1 3 406.615 2.941 20 0 HFADHO CC[N@@H+](CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018708 /nfs/dbraw/zinc/01/87/08/1078018708.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 1 3 406.615 2.941 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)N(C)C)cc1 ZINC000806738575 1079929528 /nfs/dbraw/zinc/92/95/28/1079929528.db2.gz ILJVYXWFWFGKCG-FKBYEOEOSA-N 1 3 402.583 2.650 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)N(C)C)cc1 ZINC000806738575 1079929533 /nfs/dbraw/zinc/92/95/33/1079929533.db2.gz ILJVYXWFWFGKCG-FKBYEOEOSA-N 1 3 402.583 2.650 20 0 HFADHO CNc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1C(=O)OC ZINC001170523843 1080599446 /nfs/dbraw/zinc/59/94/46/1080599446.db2.gz FRFLGWOEPQJCJD-UHFFFAOYSA-N 1 3 407.518 2.819 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833932 720513058 /nfs/dbraw/zinc/51/30/58/720513058.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 1 3 409.582 2.960 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833932 720513060 /nfs/dbraw/zinc/51/30/60/720513060.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 1 3 409.582 2.960 20 0 HFADHO CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906071 /nfs/dbraw/zinc/90/60/71/1078906071.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 1 3 408.974 2.885 20 0 HFADHO CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906074 /nfs/dbraw/zinc/90/60/74/1078906074.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 1 3 408.974 2.885 20 0 HFADHO CC(C)[NH+]1CCC(NC(=O)COC(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000772719552 1077162513 /nfs/dbraw/zinc/16/25/13/1077162513.db2.gz UETYDUDKLNQLKH-UHFFFAOYSA-N 1 3 415.578 2.821 20 0 HFADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057275 1077663633 /nfs/dbraw/zinc/66/36/33/1077663633.db2.gz ORZZZYCVXHXXKD-VXKWHMMOSA-N 1 3 402.583 2.747 20 0 HFADHO Cc1nc(-n2ccnc2)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170525198 1080644357 /nfs/dbraw/zinc/64/43/57/1080644357.db2.gz JTPRPZIPZZNTDT-UHFFFAOYSA-N 1 3 401.518 2.880 20 0 HFADHO COc1ccc2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c2n1 ZINC001170525686 1080735096 /nfs/dbraw/zinc/73/50/96/1080735096.db2.gz MHABKAGQGGGSGN-UHFFFAOYSA-N 1 3 402.502 2.943 20 0 HFADHO CNC(=S)Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170525800 1080738331 /nfs/dbraw/zinc/73/83/31/1080738331.db2.gz OXOVKNLNEQQFRD-UHFFFAOYSA-N 1 3 408.575 2.907 20 0 HFADHO CN(C)C(=O)c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cnc1F ZINC001170528296 1080795581 /nfs/dbraw/zinc/79/55/81/1080795581.db2.gz KOLTWBGFMNCTQZ-UHFFFAOYSA-N 1 3 409.509 2.832 20 0 HFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835652 720590230 /nfs/dbraw/zinc/59/02/30/720590230.db2.gz CEOKGAQNKYNNLS-ABSDTBQOSA-N 1 3 414.985 2.955 20 0 HFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835652 720590245 /nfs/dbraw/zinc/59/02/45/720590245.db2.gz CEOKGAQNKYNNLS-ABSDTBQOSA-N 1 3 414.985 2.955 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N1CCCCC1 ZINC000793720172 1078264987 /nfs/dbraw/zinc/26/49/87/1078264987.db2.gz GKCMRBBBXODVDO-FQEVSTJZSA-N 1 3 414.594 2.525 20 0 HFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001170437311 1078293307 /nfs/dbraw/zinc/29/33/07/1078293307.db2.gz MJZDCZPMZUJGMS-FQEVSTJZSA-N 1 3 411.546 2.561 20 0 HFADHO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001170437311 1078293312 /nfs/dbraw/zinc/29/33/12/1078293312.db2.gz MJZDCZPMZUJGMS-FQEVSTJZSA-N 1 3 411.546 2.561 20 0 HFADHO COC(=O)c1cc2ccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)[nH]c-2n1 ZINC001170486695 1079224582 /nfs/dbraw/zinc/22/45/82/1079224582.db2.gz MQHFLHMKCFASNP-QQFBHYJXSA-N 1 3 421.501 2.721 20 0 HFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303302 1076752152 /nfs/dbraw/zinc/75/21/52/1076752152.db2.gz KYDWMALSXHAFDZ-CRAIPNDOSA-N 1 3 404.523 2.910 20 0 HFADHO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000788480617 1077174567 /nfs/dbraw/zinc/17/45/67/1077174567.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 1 3 416.610 2.993 20 0 HFADHO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000788480617 1077174571 /nfs/dbraw/zinc/17/45/71/1077174571.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 1 3 416.610 2.993 20 0 HFADHO CC[N@H+](CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018536 /nfs/dbraw/zinc/01/85/36/1078018536.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 1 3 406.615 2.941 20 0 HFADHO CC[N@@H+](CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018541 /nfs/dbraw/zinc/01/85/41/1078018541.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 1 3 406.615 2.941 20 0 HFADHO COC(=O)c1ncc(Cl)nc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170523833 1080599521 /nfs/dbraw/zinc/59/95/21/1080599521.db2.gz FEYFHTPFVXFJLA-UHFFFAOYSA-N 1 3 413.909 2.826 20 0 HFADHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc(N2CCOCC2)n1 ZINC001170524951 1080641622 /nfs/dbraw/zinc/64/16/22/1080641622.db2.gz POEIKTSSJYLNCV-UHFFFAOYSA-N 1 3 420.561 2.531 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750355 720845872 /nfs/dbraw/zinc/84/58/72/720845872.db2.gz XIFWKOIULOPTDG-VABKMULXSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750355 720845873 /nfs/dbraw/zinc/84/58/73/720845873.db2.gz XIFWKOIULOPTDG-VABKMULXSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750202 720858093 /nfs/dbraw/zinc/85/80/93/720858093.db2.gz OQNTTWRAEAHCGW-XPWALMASSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750202 720858096 /nfs/dbraw/zinc/85/80/96/720858096.db2.gz OQNTTWRAEAHCGW-XPWALMASSA-N 1 3 421.593 2.648 20 0 HFADHO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000788480616 1077174630 /nfs/dbraw/zinc/17/46/30/1077174630.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 1 3 416.610 2.993 20 0 HFADHO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000788480616 1077174632 /nfs/dbraw/zinc/17/46/32/1077174632.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 1 3 416.610 2.993 20 0 HFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164791311 721469302 /nfs/dbraw/zinc/46/93/02/721469302.db2.gz WXXLMNGORLGOEP-QFIPXVFZSA-N 1 3 416.610 2.877 20 0 HFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164791311 721469306 /nfs/dbraw/zinc/46/93/06/721469306.db2.gz WXXLMNGORLGOEP-QFIPXVFZSA-N 1 3 416.610 2.877 20 0 HFADHO Cc1ccc(N(c2ccc(CN(C)C3CC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959867 722025403 /nfs/dbraw/zinc/02/54/03/722025403.db2.gz JCUSKQTXXYINSN-OFNKIYASSA-N 1 3 408.550 2.823 20 0 HFADHO C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000793258342 1078112449 /nfs/dbraw/zinc/11/24/49/1078112449.db2.gz XWGKBEGNLBYNNK-QFIPXVFZSA-N 1 3 411.619 2.984 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)N1CCCCC1 ZINC000793713729 1078261961 /nfs/dbraw/zinc/26/19/61/1078261961.db2.gz APXLQLPHPJKRBB-PMACEKPBSA-N 1 3 414.594 2.757 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)N1CCCCC1 ZINC000793713730 1078261969 /nfs/dbraw/zinc/26/19/69/1078261969.db2.gz APXLQLPHPJKRBB-UXHICEINSA-N 1 3 414.594 2.757 20 0 HFADHO NC(=O)c1cc2c(nc1-n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)CCC2 ZINC001170526920 1080764525 /nfs/dbraw/zinc/76/45/25/1080764525.db2.gz YLKZHKOWMSZAJG-UHFFFAOYSA-N 1 3 403.530 2.579 20 0 HFADHO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)CC1 ZINC001164614091 719021992 /nfs/dbraw/zinc/02/19/92/719021992.db2.gz NBBHJONOZDJEEF-UHFFFAOYSA-N 1 3 401.555 2.629 20 0 HFADHO c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750200 720858647 /nfs/dbraw/zinc/85/86/47/720858647.db2.gz OQNTTWRAEAHCGW-DNVJHFABSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750200 720858648 /nfs/dbraw/zinc/85/86/48/720858648.db2.gz OQNTTWRAEAHCGW-DNVJHFABSA-N 1 3 421.593 2.648 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCCCC1 ZINC000793714633 1078262917 /nfs/dbraw/zinc/26/29/17/1078262917.db2.gz QQAJGNNEOSFGIH-FQEVSTJZSA-N 1 3 414.594 2.669 20 0 HFADHO C[N@H+](Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146410 /nfs/dbraw/zinc/14/64/10/722146410.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 1 3 407.562 2.798 20 0 HFADHO C[N@@H+](Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146412 /nfs/dbraw/zinc/14/64/12/722146412.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 1 3 407.562 2.798 20 0 HFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707646 1078102739 /nfs/dbraw/zinc/10/27/39/1078102739.db2.gz BLNMZUZONUJIOE-AEFFLSMTSA-N 1 3 403.398 2.770 20 0 HFADHO COC(=O)c1cnc(NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C(F)(F)F ZINC000804397835 1078462176 /nfs/dbraw/zinc/46/21/76/1078462176.db2.gz IPOJFARYDNIMMB-UHFFFAOYSA-N 1 3 400.445 2.858 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](OCC[NH+](CC)CC)C3)cc2)CC1 ZINC000746720894 1077008836 /nfs/dbraw/zinc/00/88/36/1077008836.db2.gz XOUPHHHIDIYTHT-QFIPXVFZSA-N 1 3 417.598 2.793 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@]3(CO)CC(C)C)cc2)CC1 ZINC000789513076 1077604762 /nfs/dbraw/zinc/60/47/62/1077604762.db2.gz DPOMKMKNCFIXFQ-HSZRJFAPSA-N 1 3 402.583 2.640 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@]3(CO)CC(C)C)cc2)CC1 ZINC000789513076 1077604766 /nfs/dbraw/zinc/60/47/66/1077604766.db2.gz DPOMKMKNCFIXFQ-HSZRJFAPSA-N 1 3 402.583 2.640 20 0 HFADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000746861969 1077851749 /nfs/dbraw/zinc/85/17/49/1077851749.db2.gz KKNQHXKIRNTQJN-SFHVURJKSA-N 1 3 410.603 2.556 20 0 HFADHO CN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001170204933 1077905252 /nfs/dbraw/zinc/90/52/52/1077905252.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 1 3 404.580 2.611 20 0 HFADHO CN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001170204933 1077905254 /nfs/dbraw/zinc/90/52/54/1077905254.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 1 3 404.580 2.611 20 0 HFADHO Cc1nccn1-c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170525515 1080728031 /nfs/dbraw/zinc/72/80/31/1080728031.db2.gz QJYFRLKWBZWCBI-UHFFFAOYSA-N 1 3 401.518 2.880 20 0 HFADHO Cc1nccn1-c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170525611 1080733711 /nfs/dbraw/zinc/73/37/11/1080733711.db2.gz KORXGVQUWWHMFA-UHFFFAOYSA-N 1 3 401.518 2.880 20 0 HFADHO COC(=O)[C@@H](N)Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170528383 1080800252 /nfs/dbraw/zinc/80/02/52/1080800252.db2.gz OQCDZQQUAJFRHD-QHCPKHFHSA-N 1 3 420.557 2.639 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833954 720513384 /nfs/dbraw/zinc/51/33/84/720513384.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 1 3 409.582 2.960 20 0 HFADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833954 720513388 /nfs/dbraw/zinc/51/33/88/720513388.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 1 3 409.582 2.960 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850690 /nfs/dbraw/zinc/85/06/90/720850690.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850693 /nfs/dbraw/zinc/85/06/93/720850693.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850874 /nfs/dbraw/zinc/85/08/74/720850874.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850880 /nfs/dbraw/zinc/85/08/80/720850880.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 1 3 421.593 2.647 20 0 HFADHO C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000793258340 1078112330 /nfs/dbraw/zinc/11/23/30/1078112330.db2.gz XWGKBEGNLBYNNK-JOCHJYFZSA-N 1 3 411.619 2.984 20 0 HFADHO COCC[NH+](CCOC)C1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001170075852 1076899818 /nfs/dbraw/zinc/89/98/18/1076899818.db2.gz VWWXAHTUEMDQPU-UHFFFAOYSA-N 1 3 413.603 2.693 20 0 HFADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942791 1077372780 /nfs/dbraw/zinc/37/27/80/1077372780.db2.gz YDBCOOAPVALPGF-VXKWHMMOSA-N 1 3 402.583 2.602 20 0 HFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017665 /nfs/dbraw/zinc/01/76/65/1078017665.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 1 3 404.599 2.837 20 0 HFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017669 /nfs/dbraw/zinc/01/76/69/1078017669.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 1 3 404.599 2.837 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3ccc(N4CCOCC4)cn3)c3ccccc23)CC1 ZINC001170525534 1080729431 /nfs/dbraw/zinc/72/94/31/1080729431.db2.gz RHIFVGROOXPUEV-UHFFFAOYSA-N 1 3 405.546 2.828 20 0 HFADHO COC(=O)c1cc(OC)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528150 1080784882 /nfs/dbraw/zinc/78/48/82/1080784882.db2.gz ISGPCFWWMBYMTQ-UHFFFAOYSA-N 1 3 408.502 2.786 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851110 /nfs/dbraw/zinc/85/11/10/720851110.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851113 /nfs/dbraw/zinc/85/11/13/720851113.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1)C1CC1 ZINC001164762327 721041140 /nfs/dbraw/zinc/04/11/40/721041140.db2.gz HVQHVYXAMPXXDI-UHFFFAOYSA-N 1 3 403.534 2.751 20 0 HFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164783224 721451904 /nfs/dbraw/zinc/45/19/04/721451904.db2.gz ACKLZDZKZOOUIJ-HXUWFJFHSA-N 1 3 402.583 2.882 20 0 HFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164783224 721451907 /nfs/dbraw/zinc/45/19/07/721451907.db2.gz ACKLZDZKZOOUIJ-HXUWFJFHSA-N 1 3 402.583 2.882 20 0 HFADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977051 722138669 /nfs/dbraw/zinc/13/86/69/722138669.db2.gz IDYXZHOVAYBZOC-DHIUTWEWSA-N 1 3 407.562 2.800 20 0 HFADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662403 1077257744 /nfs/dbraw/zinc/25/77/44/1077257744.db2.gz XVUAPPKOJUYORL-SFHVURJKSA-N 1 3 422.614 2.556 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164617577 719011282 /nfs/dbraw/zinc/01/12/82/719011282.db2.gz OQDAMEIWWTZDPW-YKSBVNFPSA-N 1 3 412.578 2.827 20 0 HFADHO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3CN3CCCC3)CC2)CC1 ZINC001164617932 719034390 /nfs/dbraw/zinc/03/43/90/719034390.db2.gz PKGBYFISRZBTFZ-UHFFFAOYSA-N 1 3 400.567 2.921 20 0 HFADHO CN(Cc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822863 720344009 /nfs/dbraw/zinc/34/40/09/720344009.db2.gz FZMGHEYXHBQGOA-YADHBBJMSA-N 1 3 411.594 2.587 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750201 720858253 /nfs/dbraw/zinc/85/82/53/720858253.db2.gz OQNTTWRAEAHCGW-RJGXRXQPSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750201 720858255 /nfs/dbraw/zinc/85/82/55/720858255.db2.gz OQNTTWRAEAHCGW-RJGXRXQPSA-N 1 3 421.593 2.648 20 0 HFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164791309 721469593 /nfs/dbraw/zinc/46/95/93/721469593.db2.gz WXXLMNGORLGOEP-JOCHJYFZSA-N 1 3 416.610 2.877 20 0 HFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164791309 721469596 /nfs/dbraw/zinc/46/95/96/721469596.db2.gz WXXLMNGORLGOEP-JOCHJYFZSA-N 1 3 416.610 2.877 20 0 HFADHO c1cncc(CN2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977053 722139192 /nfs/dbraw/zinc/13/91/92/722139192.db2.gz IDYXZHOVAYBZOC-PKTZIBPZSA-N 1 3 407.562 2.800 20 0 HFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560272 1076864438 /nfs/dbraw/zinc/86/44/38/1076864438.db2.gz MCZIAFWILOPXOW-OAQYLSRUSA-N 1 3 400.567 2.767 20 0 HFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560272 1076864442 /nfs/dbraw/zinc/86/44/42/1076864442.db2.gz MCZIAFWILOPXOW-OAQYLSRUSA-N 1 3 400.567 2.767 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784371 /nfs/dbraw/zinc/78/43/71/1077784371.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 1 3 404.551 2.744 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784380 /nfs/dbraw/zinc/78/43/80/1077784380.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 1 3 404.551 2.744 20 0 HFADHO COC(=O)c1cc(Cl)nnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524162 1080599863 /nfs/dbraw/zinc/59/98/63/1080599863.db2.gz GGAOZUPAEZQSMR-UHFFFAOYSA-N 1 3 413.909 2.826 20 0 HFADHO Cc1cn(-c2cc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ncn2)cn1 ZINC001170523859 1080599910 /nfs/dbraw/zinc/59/99/10/1080599910.db2.gz GBVNIQYHLOEZDR-UHFFFAOYSA-N 1 3 401.518 2.880 20 0 HFADHO NC(=O)C1(c2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc2)CC1 ZINC001170526650 1080753222 /nfs/dbraw/zinc/75/32/22/1080753222.db2.gz UJXFZDTWDYAPGU-UHFFFAOYSA-N 1 3 403.530 2.508 20 0 HFADHO [NH3+][C@@H]1[C@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164440597 718985504 /nfs/dbraw/zinc/98/55/04/718985504.db2.gz PSUANWFZUYUUOG-MNZLEMJZSA-N 1 3 424.932 2.790 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164617564 719011329 /nfs/dbraw/zinc/01/13/29/719011329.db2.gz OQDAMEIWWTZDPW-GBXCKJPGSA-N 1 3 412.578 2.827 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750359 720845546 /nfs/dbraw/zinc/84/55/46/720845546.db2.gz XIFWKOIULOPTDG-VJBWXMMDSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750359 720845549 /nfs/dbraw/zinc/84/55/49/720845549.db2.gz XIFWKOIULOPTDG-VJBWXMMDSA-N 1 3 421.593 2.648 20 0 HFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300865 1076748607 /nfs/dbraw/zinc/74/86/07/1076748607.db2.gz WLWZRTPYTRJBJK-NHCUHLMSSA-N 1 3 424.589 2.670 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@]3(CO)CC(C)C)cc2)CC1 ZINC000789513077 1077604853 /nfs/dbraw/zinc/60/48/53/1077604853.db2.gz DPOMKMKNCFIXFQ-QHCPKHFHSA-N 1 3 402.583 2.640 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@]3(CO)CC(C)C)cc2)CC1 ZINC000789513077 1077604855 /nfs/dbraw/zinc/60/48/55/1077604855.db2.gz DPOMKMKNCFIXFQ-QHCPKHFHSA-N 1 3 402.583 2.640 20 0 HFADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057276 1077663613 /nfs/dbraw/zinc/66/36/13/1077663613.db2.gz ORZZZYCVXHXXKD-YADHBBJMSA-N 1 3 402.583 2.747 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)N(C)C)cc1 ZINC000806738577 1079929663 /nfs/dbraw/zinc/92/96/63/1079929663.db2.gz ILJVYXWFWFGKCG-VSKRKVRLSA-N 1 3 402.583 2.650 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)N(C)C)cc1 ZINC000806738577 1079929666 /nfs/dbraw/zinc/92/96/66/1079929666.db2.gz ILJVYXWFWFGKCG-VSKRKVRLSA-N 1 3 402.583 2.650 20 0 HFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709816 1079938840 /nfs/dbraw/zinc/93/88/40/1079938840.db2.gz KVRNIFIVYQQHHM-JOCHJYFZSA-N 1 3 418.969 2.898 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3cncc(C(=O)N4CCCC4)n3)c3ccccc23)CC1 ZINC001170524803 1080632840 /nfs/dbraw/zinc/63/28/40/1080632840.db2.gz MVSIJPQHTRUULW-UHFFFAOYSA-N 1 3 418.545 2.622 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4c3CC(=O)N4)c3ccccc23)CC1 ZINC001170525537 1080729373 /nfs/dbraw/zinc/72/93/73/1080729373.db2.gz RMKVJFLXVRJLFM-UHFFFAOYSA-N 1 3 410.909 2.534 20 0 HFADHO COC(=O)c1nc2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)[nH]c-2n1 ZINC001170527926 1080783241 /nfs/dbraw/zinc/78/32/41/1080783241.db2.gz DOFCKZUPETZTSC-UHFFFAOYSA-N 1 3 418.501 2.654 20 0 HFADHO c1nc2n(c1CN(c1ccccn1)c1ccc(CN3CCCC3)cn1)CC[NH2+]CC2 ZINC001164761405 721041651 /nfs/dbraw/zinc/04/16/51/721041651.db2.gz FYVSNBUFTKVIIS-UHFFFAOYSA-N 1 3 403.534 2.753 20 0 HFADHO c1cn(-c2cc[nH+]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2)cn1 ZINC001164962332 722060853 /nfs/dbraw/zinc/06/08/53/722060853.db2.gz RBWVCKDAEYWHKK-UHFFFAOYSA-N 1 3 404.518 2.781 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCCCC1 ZINC000793714634 1078262911 /nfs/dbraw/zinc/26/29/11/1078262911.db2.gz QQAJGNNEOSFGIH-HXUWFJFHSA-N 1 3 414.594 2.669 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)N(C)C)cc1 ZINC000806738574 1079929626 /nfs/dbraw/zinc/92/96/26/1079929626.db2.gz ILJVYXWFWFGKCG-BDTNDASRSA-N 1 3 402.583 2.650 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)N(C)C)cc1 ZINC000806738574 1079929627 /nfs/dbraw/zinc/92/96/27/1079929627.db2.gz ILJVYXWFWFGKCG-BDTNDASRSA-N 1 3 402.583 2.650 20 0 HFADHO COc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1NC1CC1 ZINC001170522976 1080564022 /nfs/dbraw/zinc/56/40/22/1080564022.db2.gz VPRXXUHICOGDMS-UHFFFAOYSA-N 1 3 406.534 2.969 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164617570 719011265 /nfs/dbraw/zinc/01/12/65/719011265.db2.gz OQDAMEIWWTZDPW-HYBUGGRVSA-N 1 3 412.578 2.827 20 0 HFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925806 721857737 /nfs/dbraw/zinc/85/77/37/721857737.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 1 3 405.590 2.855 20 0 HFADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925806 721857738 /nfs/dbraw/zinc/85/77/38/721857738.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 1 3 405.590 2.855 20 0 HFADHO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925806 721857741 /nfs/dbraw/zinc/85/77/41/721857741.db2.gz GDUPGUXMQZONPA-RPWUZVMVSA-N 1 3 405.590 2.855 20 0 HFADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977054 722139225 /nfs/dbraw/zinc/13/92/25/722139225.db2.gz IDYXZHOVAYBZOC-XZOQPEGZSA-N 1 3 407.562 2.800 20 0 HFADHO COc1cnccc1N1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000793076908 1078063405 /nfs/dbraw/zinc/06/34/05/1078063405.db2.gz WIIAHWZKPMMIIM-UHFFFAOYSA-N 1 3 403.571 2.968 20 0 HFADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](OCC[NH+](CC)CC)C3)cc2)CC1 ZINC000746720886 1077008741 /nfs/dbraw/zinc/00/87/41/1077008741.db2.gz XOUPHHHIDIYTHT-JOCHJYFZSA-N 1 3 417.598 2.793 20 0 HFADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662398 1077257762 /nfs/dbraw/zinc/25/77/62/1077257762.db2.gz XVUAPPKOJUYORL-GOSISDBHSA-N 1 3 422.614 2.556 20 0 HFADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057273 1077663567 /nfs/dbraw/zinc/66/35/67/1077663567.db2.gz ORZZZYCVXHXXKD-FCHUYYIVSA-N 1 3 402.583 2.747 20 0 HFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017620 /nfs/dbraw/zinc/01/76/20/1078017620.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 1 3 404.599 2.837 20 0 HFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017625 /nfs/dbraw/zinc/01/76/25/1078017625.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 1 3 404.599 2.837 20 0 HFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709817 1079938771 /nfs/dbraw/zinc/93/87/71/1079938771.db2.gz KVRNIFIVYQQHHM-QFIPXVFZSA-N 1 3 418.969 2.898 20 0 HFADHO Cc1nccn1-c1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526652 1080753187 /nfs/dbraw/zinc/75/31/87/1080753187.db2.gz UMJLIRXADUYMSN-UHFFFAOYSA-N 1 3 401.518 2.880 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164617780 719011357 /nfs/dbraw/zinc/01/13/57/719011357.db2.gz PORDJWSAANBNIP-RDPSFJRHSA-N 1 3 412.578 2.825 20 0 HFADHO CN(Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822861 720343742 /nfs/dbraw/zinc/34/37/42/720343742.db2.gz FZMGHEYXHBQGOA-VXKWHMMOSA-N 1 3 411.594 2.587 20 0 HFADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2CN2CCCC2)CC1 ZINC001164829348 720352968 /nfs/dbraw/zinc/35/29/68/720352968.db2.gz RMADNKVYQHXJOD-FCHUYYIVSA-N 1 3 411.594 2.589 20 0 HFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2CN2CCCC2)CC1 ZINC001164829354 720353479 /nfs/dbraw/zinc/35/34/79/720353479.db2.gz RMADNKVYQHXJOD-YADHBBJMSA-N 1 3 411.594 2.589 20 0 HFADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801012 /nfs/dbraw/zinc/80/10/12/720801012.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 1 3 408.550 2.760 20 0 HFADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801015 /nfs/dbraw/zinc/80/10/15/720801015.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 1 3 408.550 2.760 20 0 HFADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164790248 721452124 /nfs/dbraw/zinc/45/21/24/721452124.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 1 3 417.598 2.585 20 0 HFADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164790248 721452122 /nfs/dbraw/zinc/45/21/22/721452122.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 1 3 417.598 2.585 20 0 HFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164790246 721452148 /nfs/dbraw/zinc/45/21/48/721452148.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 1 3 417.598 2.585 20 0 HFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164790246 721452151 /nfs/dbraw/zinc/45/21/51/721452151.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 1 3 417.598 2.585 20 0 HFADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000787752626 1076927772 /nfs/dbraw/zinc/92/77/72/1076927772.db2.gz CXNITGANTNSPEU-QHCPKHFHSA-N 1 3 422.573 2.660 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4nccnc43)c3ccccc23)CC1 ZINC001170526229 1080685659 /nfs/dbraw/zinc/68/56/59/1080685659.db2.gz WOZAEGKAWFLPFE-UHFFFAOYSA-N 1 3 407.909 2.983 20 0 HFADHO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4c3CCNC4)CC2)CC1 ZINC001164617928 719030728 /nfs/dbraw/zinc/03/07/28/719030728.db2.gz SEGUQJQQDKIRCN-UHFFFAOYSA-N 1 3 406.958 2.625 20 0 HFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164712508 720097521 /nfs/dbraw/zinc/09/75/21/720097521.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 1 3 410.566 2.754 20 0 HFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164712508 720097526 /nfs/dbraw/zinc/09/75/26/720097526.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 1 3 410.566 2.754 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750364 720846008 /nfs/dbraw/zinc/84/60/08/720846008.db2.gz XIFWKOIULOPTDG-XPWALMASSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750364 720846010 /nfs/dbraw/zinc/84/60/10/720846010.db2.gz XIFWKOIULOPTDG-XPWALMASSA-N 1 3 421.593 2.648 20 0 HFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925808 721857521 /nfs/dbraw/zinc/85/75/21/721857521.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 1 3 405.590 2.855 20 0 HFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925808 721857522 /nfs/dbraw/zinc/85/75/22/721857522.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 1 3 405.590 2.855 20 0 HFADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925808 721857525 /nfs/dbraw/zinc/85/75/25/721857525.db2.gz GDUPGUXMQZONPA-ZEQRLZLVSA-N 1 3 405.590 2.855 20 0 HFADHO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)CCCC1)c1ccccc1 ZINC000793713731 1078262084 /nfs/dbraw/zinc/26/20/84/1078262084.db2.gz APXLQLPHPJKRBB-VQTJNVASSA-N 1 3 414.594 2.757 20 0 HFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017582 /nfs/dbraw/zinc/01/75/82/1078017582.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 1 3 404.599 2.837 20 0 HFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017588 /nfs/dbraw/zinc/01/75/88/1078017588.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 1 3 404.599 2.837 20 0 HFADHO COC(=O)c1cc(OC)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170522273 1080533384 /nfs/dbraw/zinc/53/33/84/1080533384.db2.gz GFDUFHOVWLJIED-UHFFFAOYSA-N 1 3 408.502 2.786 20 0 HFADHO CC(C)NC(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170526699 1080756343 /nfs/dbraw/zinc/75/63/43/1080756343.db2.gz VBGFIUFVUPDIDW-UHFFFAOYSA-N 1 3 406.534 2.524 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164614676 719010152 /nfs/dbraw/zinc/01/01/52/719010152.db2.gz GECCXHXEYRQFCV-HYBUGGRVSA-N 1 3 412.578 2.827 20 0 HFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303310 1076751976 /nfs/dbraw/zinc/75/19/76/1076751976.db2.gz KYDWMALSXHAFDZ-YJBOKZPZSA-N 1 3 404.523 2.910 20 0 HFADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)CC1 ZINC000792269935 1077787352 /nfs/dbraw/zinc/78/73/52/1077787352.db2.gz ZIRWHTVQYSCUHV-UHFFFAOYSA-N 1 3 401.599 2.572 20 0 HFADHO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000746861968 1077851653 /nfs/dbraw/zinc/85/16/53/1077851653.db2.gz KKNQHXKIRNTQJN-GOSISDBHSA-N 1 3 410.603 2.556 20 0 HFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004893 /nfs/dbraw/zinc/00/48/93/1078004893.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 1 3 412.578 2.705 20 0 HFADHO C[N@H+](Cc1ccccc1)CC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004899 /nfs/dbraw/zinc/00/48/99/1078004899.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 1 3 412.578 2.705 20 0 HFADHO [NH3+][C@@]12C[C@@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164418502 718887808 /nfs/dbraw/zinc/88/78/08/718887808.db2.gz OQIBPSZLWZINCJ-OPAMFIHVSA-N 1 3 424.932 2.934 20 0 HFADHO c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750203 720858502 /nfs/dbraw/zinc/85/85/02/720858502.db2.gz OQNTTWRAEAHCGW-YTFSRNRJSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750203 720858505 /nfs/dbraw/zinc/85/85/05/720858505.db2.gz OQNTTWRAEAHCGW-YTFSRNRJSA-N 1 3 421.593 2.648 20 0 HFADHO Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808993 721530728 /nfs/dbraw/zinc/53/07/28/721530728.db2.gz SXOWWFDOUQVAFW-JTAQYXEDSA-N 1 3 408.550 2.648 20 0 HFADHO CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906118 /nfs/dbraw/zinc/90/61/18/1078906118.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 1 3 408.974 2.885 20 0 HFADHO CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906120 /nfs/dbraw/zinc/90/61/20/1078906120.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 1 3 408.974 2.885 20 0 HFADHO O=C(CCCCCCCCC(=O)N1CC[NH+]2CCC1CC2)N1CCN2CCC1CC2 ZINC000787522722 1076846523 /nfs/dbraw/zinc/84/65/23/1076846523.db2.gz BLZCFGCHGVJYKV-UHFFFAOYSA-N 1 3 418.626 2.720 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822859 720343698 /nfs/dbraw/zinc/34/36/98/720343698.db2.gz FZMGHEYXHBQGOA-FGZHOGPDSA-N 1 3 411.594 2.587 20 0 HFADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835654 720591434 /nfs/dbraw/zinc/59/14/34/720591434.db2.gz CEOKGAQNKYNNLS-FUHIMQAGSA-N 1 3 414.985 2.955 20 0 HFADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835654 720591455 /nfs/dbraw/zinc/59/14/55/720591455.db2.gz CEOKGAQNKYNNLS-FUHIMQAGSA-N 1 3 414.985 2.955 20 0 HFADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164783223 721451860 /nfs/dbraw/zinc/45/18/60/721451860.db2.gz ACKLZDZKZOOUIJ-FQEVSTJZSA-N 1 3 402.583 2.882 20 0 HFADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164783223 721451863 /nfs/dbraw/zinc/45/18/63/721451863.db2.gz ACKLZDZKZOOUIJ-FQEVSTJZSA-N 1 3 402.583 2.882 20 0 HFADHO Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808994 721530782 /nfs/dbraw/zinc/53/07/82/721530782.db2.gz SXOWWFDOUQVAFW-QTEQDKRBSA-N 1 3 408.550 2.648 20 0 HFADHO CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905986 /nfs/dbraw/zinc/90/59/86/1078905986.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 1 3 408.974 2.885 20 0 HFADHO CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905990 /nfs/dbraw/zinc/90/59/90/1078905990.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 1 3 408.974 2.885 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)Cc1ccccc1 ZINC000805940771 1079343631 /nfs/dbraw/zinc/34/36/31/1079343631.db2.gz BVNZBQQAMZNDHG-KPQWGBOZSA-N 1 3 414.594 2.536 20 0 HFADHO CN(CCC1CCN(C2CC[NH+](C)CC2)CC1)CCS(=O)(=O)Cc1ccccc1 ZINC000791472583 1077444950 /nfs/dbraw/zinc/44/49/50/1077444950.db2.gz KZTUQTHDBPMFHV-UHFFFAOYSA-N 1 3 421.651 2.730 20 0 HFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CCS(=O)(=O)Cc1ccccc1 ZINC000791472583 1077444951 /nfs/dbraw/zinc/44/49/51/1077444951.db2.gz KZTUQTHDBPMFHV-UHFFFAOYSA-N 1 3 421.651 2.730 20 0 HFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004771 /nfs/dbraw/zinc/00/47/71/1078004771.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 1 3 412.578 2.705 20 0 HFADHO C[N@H+](Cc1ccccc1)CC1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004776 /nfs/dbraw/zinc/00/47/76/1078004776.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 1 3 412.578 2.705 20 0 HFADHO COC(=O)c1c2cnn(CN(C)CC3CC[NH+](C)CC3)c2ccc1Br ZINC000790444752 1078033955 /nfs/dbraw/zinc/03/39/55/1078033955.db2.gz FSRGBJXSBUWRBQ-UHFFFAOYSA-N 1 3 409.328 2.817 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164617778 719011095 /nfs/dbraw/zinc/01/10/95/719011095.db2.gz PORDJWSAANBNIP-GBXCKJPGSA-N 1 3 412.578 2.825 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164617779 719011299 /nfs/dbraw/zinc/01/12/99/719011299.db2.gz PORDJWSAANBNIP-HYBUGGRVSA-N 1 3 412.578 2.825 20 0 HFADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1)CC(C)C ZINC000793694070 1078270391 /nfs/dbraw/zinc/27/03/91/1078270391.db2.gz BDLJCTMEWQIXIL-HXUWFJFHSA-N 1 3 408.631 2.584 20 0 HFADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1)CC(C)C ZINC000793694070 1078270395 /nfs/dbraw/zinc/27/03/95/1078270395.db2.gz BDLJCTMEWQIXIL-HXUWFJFHSA-N 1 3 408.631 2.584 20 0 HFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300866 1076748527 /nfs/dbraw/zinc/74/85/27/1076748527.db2.gz WLWZRTPYTRJBJK-SFTDATJTSA-N 1 3 424.589 2.670 20 0 HFADHO CCN(CC)Cc1cncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170074384 1076826423 /nfs/dbraw/zinc/82/64/23/1076826423.db2.gz GQNBFFZXTIDMLF-UHFFFAOYSA-N 1 3 413.547 2.626 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784126 /nfs/dbraw/zinc/78/41/26/1077784126.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 1 3 404.551 2.744 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784134 /nfs/dbraw/zinc/78/41/34/1077784134.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 1 3 404.551 2.744 20 0 HFADHO NC(=S)c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C2CC2)n1 ZINC001170526658 1080754870 /nfs/dbraw/zinc/75/48/70/1080754870.db2.gz UQIXQXUFJJLQES-UHFFFAOYSA-N 1 3 420.586 2.898 20 0 HFADHO CON(C)C(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170528301 1080795912 /nfs/dbraw/zinc/79/59/12/1080795912.db2.gz KTVVPJFQKLGRFS-UHFFFAOYSA-N 1 3 407.518 2.625 20 0 HFADHO Cc1ccc(N(c2ccc(CN(C)C3CC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959864 722025518 /nfs/dbraw/zinc/02/55/18/722025518.db2.gz JCUSKQTXXYINSN-NZQKXSOJSA-N 1 3 408.550 2.823 20 0 HFADHO Cc1ccc(N(c2ccc(CN(C)C3CC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959870 722025532 /nfs/dbraw/zinc/02/55/32/722025532.db2.gz JCUSKQTXXYINSN-REWPJTCUSA-N 1 3 408.550 2.823 20 0 HFADHO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1)N1CCCCC1 ZINC000793726568 1078268509 /nfs/dbraw/zinc/26/85/09/1078268509.db2.gz SCTAXNQUJUMBGY-FQEVSTJZSA-N 1 3 414.594 2.669 20 0 HFADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801098 /nfs/dbraw/zinc/80/10/98/720801098.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 1 3 408.550 2.760 20 0 HFADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801100 /nfs/dbraw/zinc/80/11/00/720801100.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 1 3 408.550 2.760 20 0 HFADHO Cc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001164808995 721531209 /nfs/dbraw/zinc/53/12/09/721531209.db2.gz SXOWWFDOUQVAFW-SXWKCWPCSA-N 1 3 408.550 2.648 20 0 HFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925801 721857701 /nfs/dbraw/zinc/85/77/01/721857701.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 1 3 405.590 2.855 20 0 HFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925801 721857702 /nfs/dbraw/zinc/85/77/02/721857702.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 1 3 405.590 2.855 20 0 HFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925801 721857703 /nfs/dbraw/zinc/85/77/03/721857703.db2.gz GDUPGUXMQZONPA-BJKOFHAPSA-N 1 3 405.590 2.855 20 0 HFADHO C[N@H+](Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146182 /nfs/dbraw/zinc/14/61/82/722146182.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 1 3 407.562 2.798 20 0 HFADHO C[N@@H+](Cc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146184 /nfs/dbraw/zinc/14/61/84/722146184.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 1 3 407.562 2.798 20 0 HFADHO Cc1nc(SC(F)F)sc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793300430 1078122368 /nfs/dbraw/zinc/12/23/68/1078122368.db2.gz XOXGHRVXIFQIPO-UHFFFAOYSA-N 1 3 418.579 2.984 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N1CCCCC1 ZINC000793720174 1078264851 /nfs/dbraw/zinc/26/48/51/1078264851.db2.gz GKCMRBBBXODVDO-HXUWFJFHSA-N 1 3 414.594 2.525 20 0 HFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303305 1076752116 /nfs/dbraw/zinc/75/21/16/1076752116.db2.gz KYDWMALSXHAFDZ-MAUKXSAKSA-N 1 3 404.523 2.910 20 0 HFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000789283897 1077495054 /nfs/dbraw/zinc/49/50/54/1077495054.db2.gz CXHVBOQFTDOKPZ-UHFFFAOYSA-N 1 3 414.594 2.656 20 0 HFADHO COc1nccc2c1ncnc2-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525540 1080729384 /nfs/dbraw/zinc/72/93/84/1080729384.db2.gz ROCRNOJORWQMQU-UHFFFAOYSA-N 1 3 402.502 2.943 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)CC1 ZINC001170528264 1080792159 /nfs/dbraw/zinc/79/21/59/1080792159.db2.gz IYBZJRWOHACJPA-UHFFFAOYSA-N 1 3 419.573 2.823 20 0 HFADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164614674 719009827 /nfs/dbraw/zinc/00/98/27/719009827.db2.gz GECCXHXEYRQFCV-GBXCKJPGSA-N 1 3 412.578 2.827 20 0 HFADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2CN2CCCC2)CC1 ZINC001164829352 720353178 /nfs/dbraw/zinc/35/31/78/720353178.db2.gz RMADNKVYQHXJOD-VXKWHMMOSA-N 1 3 411.594 2.589 20 0 HFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2CN2CCCC2)CC1 ZINC001164829350 720353350 /nfs/dbraw/zinc/35/33/50/720353350.db2.gz RMADNKVYQHXJOD-FGZHOGPDSA-N 1 3 411.594 2.589 20 0 HFADHO c1nc(CNC2CCC2)c2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164837492 720738026 /nfs/dbraw/zinc/73/80/26/720738026.db2.gz MDWMIMZEEAUCCV-UHFFFAOYSA-N 1 3 410.566 2.805 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750350 720845735 /nfs/dbraw/zinc/84/57/35/720845735.db2.gz XIFWKOIULOPTDG-RJGXRXQPSA-N 1 3 421.593 2.648 20 0 HFADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750350 720845737 /nfs/dbraw/zinc/84/57/37/720845737.db2.gz XIFWKOIULOPTDG-RJGXRXQPSA-N 1 3 421.593 2.648 20 0 HFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707647 1078102601 /nfs/dbraw/zinc/10/26/01/1078102601.db2.gz BLNMZUZONUJIOE-FUHWJXTLSA-N 1 3 403.398 2.770 20 0 HFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001170437313 1078293549 /nfs/dbraw/zinc/29/35/49/1078293549.db2.gz MJZDCZPMZUJGMS-HXUWFJFHSA-N 1 3 411.546 2.561 20 0 HFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001170437313 1078293550 /nfs/dbraw/zinc/29/35/50/1078293550.db2.gz MJZDCZPMZUJGMS-HXUWFJFHSA-N 1 3 411.546 2.561 20 0 HFADHO COC(=O)c1cc(OC)ncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528173 1080784821 /nfs/dbraw/zinc/78/48/21/1080784821.db2.gz JKOMBIOUMRKUDC-UHFFFAOYSA-N 1 3 408.502 2.786 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001164617781 719011245 /nfs/dbraw/zinc/01/12/45/719011245.db2.gz PORDJWSAANBNIP-YKSBVNFPSA-N 1 3 412.578 2.825 20 0 HFADHO Cc1ccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964300 722025420 /nfs/dbraw/zinc/02/54/20/722025420.db2.gz WGYKEHHDZHGOQI-OFNKIYASSA-N 1 3 408.550 2.825 20 0 HFADHO C[N@H+](Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146520 /nfs/dbraw/zinc/14/65/20/722146520.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 1 3 407.562 2.798 20 0 HFADHO C[N@@H+](Cc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146523 /nfs/dbraw/zinc/14/65/23/722146523.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 1 3 407.562 2.798 20 0 HFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303307 1076752076 /nfs/dbraw/zinc/75/20/76/1076752076.db2.gz KYDWMALSXHAFDZ-QAPCUYQASA-N 1 3 404.523 2.910 20 0 HFADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942784 1077372877 /nfs/dbraw/zinc/37/28/77/1077372877.db2.gz YDBCOOAPVALPGF-FCHUYYIVSA-N 1 3 402.583 2.602 20 0 HFADHO CCOC(=O)c1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc(C)n1 ZINC001170526280 1080686447 /nfs/dbraw/zinc/68/64/47/1080686447.db2.gz XHPQFLKRXLMAOT-UHFFFAOYSA-N 1 3 407.518 2.871 20 0 HFADHO COC(=O)c1nnc(Cl)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525603 1080733601 /nfs/dbraw/zinc/73/36/01/1080733601.db2.gz VDINDXDDSHBVJY-UHFFFAOYSA-N 1 3 413.909 2.826 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164614680 719009956 /nfs/dbraw/zinc/00/99/56/719009956.db2.gz GECCXHXEYRQFCV-RDPSFJRHSA-N 1 3 412.578 2.827 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCCC1 ZINC000793720103 1078264833 /nfs/dbraw/zinc/26/48/33/1078264833.db2.gz GBBSTXROZMPHBA-HXUWFJFHSA-N 1 3 414.594 2.669 20 0 HFADHO CC[N@H+](CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015762 /nfs/dbraw/zinc/01/57/62/1078015762.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 1 3 404.599 2.695 20 0 HFADHO CC[N@@H+](CCC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015766 /nfs/dbraw/zinc/01/57/66/1078015766.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 1 3 404.599 2.695 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)N(C)C)cc1 ZINC000806738576 1079929581 /nfs/dbraw/zinc/92/95/81/1079929581.db2.gz ILJVYXWFWFGKCG-FSSWDIPSSA-N 1 3 402.583 2.650 20 0 HFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)N(C)C)cc1 ZINC000806738576 1079929585 /nfs/dbraw/zinc/92/95/85/1079929585.db2.gz ILJVYXWFWFGKCG-FSSWDIPSSA-N 1 3 402.583 2.650 20 0 HFADHO CON(C)C(=O)c1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528407 1080800710 /nfs/dbraw/zinc/80/07/10/1080800710.db2.gz KYQUKAQKLNXJRU-UHFFFAOYSA-N 1 3 407.518 2.625 20 0 HFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164712506 720097798 /nfs/dbraw/zinc/09/77/98/720097798.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 1 3 410.566 2.754 20 0 HFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164712506 720097809 /nfs/dbraw/zinc/09/78/09/720097809.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 1 3 410.566 2.754 20 0 HFADHO C[C@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793299861 1078122001 /nfs/dbraw/zinc/12/20/01/1078122001.db2.gz QLCCBBAPXBNKSK-ROUUACIJSA-N 1 3 422.614 2.697 20 0 HFADHO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1)N1CCCCC1 ZINC000793726581 1078268522 /nfs/dbraw/zinc/26/85/22/1078268522.db2.gz SCTAXNQUJUMBGY-HXUWFJFHSA-N 1 3 414.594 2.669 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784278 /nfs/dbraw/zinc/78/42/78/1077784278.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 1 3 404.551 2.744 20 0 HFADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784289 /nfs/dbraw/zinc/78/42/89/1077784289.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 1 3 404.551 2.744 20 0 HFADHO [NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4c3COC4=O)c3ccccc23)CC1 ZINC001170524808 1080632744 /nfs/dbraw/zinc/63/27/44/1080632744.db2.gz NEBUUQTZAJJBLK-UHFFFAOYSA-N 1 3 411.893 2.710 20 0 HFADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800834 /nfs/dbraw/zinc/80/08/34/720800834.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 1 3 408.550 2.760 20 0 HFADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800837 /nfs/dbraw/zinc/80/08/37/720800837.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 1 3 408.550 2.760 20 0 HFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925803 721857831 /nfs/dbraw/zinc/85/78/31/721857831.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 1 3 405.590 2.855 20 0 HFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925803 721857832 /nfs/dbraw/zinc/85/78/32/721857832.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 1 3 405.590 2.855 20 0 HFADHO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164925803 721857834 /nfs/dbraw/zinc/85/78/34/721857834.db2.gz GDUPGUXMQZONPA-DNQXCXABSA-N 1 3 405.590 2.855 20 0 HFADHO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164617576 719011053 /nfs/dbraw/zinc/01/10/53/719011053.db2.gz OQDAMEIWWTZDPW-RDPSFJRHSA-N 1 3 412.578 2.827 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851178 /nfs/dbraw/zinc/85/11/78/720851178.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 1 3 421.593 2.647 20 0 HFADHO CN(Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851181 /nfs/dbraw/zinc/85/11/81/720851181.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 1 3 421.593 2.647 20 0 HFADHO Cc1ccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964304 722025544 /nfs/dbraw/zinc/02/55/44/722025544.db2.gz WGYKEHHDZHGOQI-REWPJTCUSA-N 1 3 408.550 2.825 20 0 HFADHO