smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccc(N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@H]3C2)nc1)C1CC1 ZINC001164430438 718956109 /nfs/dbraw/zinc/95/61/09/718956109.db2.gz VFIUOWUAYZEWCI-AMGIVPHBSA-N 1 1 491.640 2.048 20 0 JEADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164435104 718977937 /nfs/dbraw/zinc/97/79/37/718977937.db2.gz ZBDMPQJPTJPUDU-COKJOHSESA-N 1 1 488.629 2.429 20 0 JEADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164435104 718977941 /nfs/dbraw/zinc/97/79/41/718977941.db2.gz ZBDMPQJPTJPUDU-COKJOHSESA-N 1 1 488.629 2.429 20 0 JEADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC001164628625 719063306 /nfs/dbraw/zinc/06/33/06/719063306.db2.gz SVFPGHBRNWXNAD-GOTSBHOMSA-N 1 1 464.614 2.251 20 0 JEADMO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)nn1 ZINC001164636784 719266128 /nfs/dbraw/zinc/26/61/28/719266128.db2.gz KCFSVDWGVRRBEX-CPJSRVTESA-N 1 1 468.602 2.377 20 0 JEADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164635696 719273642 /nfs/dbraw/zinc/27/36/42/719273642.db2.gz TZGRRARJGWNXTC-UHFFFAOYSA-N 1 1 475.977 2.219 20 0 JEADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164635696 719273645 /nfs/dbraw/zinc/27/36/45/719273645.db2.gz TZGRRARJGWNXTC-UHFFFAOYSA-N 1 1 475.977 2.219 20 0 JEADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@H]3C2)nc1 ZINC001164655637 719296543 /nfs/dbraw/zinc/29/65/43/719296543.db2.gz ULPOFNWQPRYLQF-BDTNDASRSA-N 1 1 498.653 2.156 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@H]3C2)nc1 ZINC001164655637 719296548 /nfs/dbraw/zinc/29/65/48/719296548.db2.gz ULPOFNWQPRYLQF-BDTNDASRSA-N 1 1 498.653 2.156 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@@H](F)Oc4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663899 719357494 /nfs/dbraw/zinc/35/74/94/719357494.db2.gz IMYFERVBWPIHSE-UYAOXDASSA-N 1 1 451.934 2.237 20 0 JEADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164704715 719854959 /nfs/dbraw/zinc/85/49/59/719854959.db2.gz SMEQJRITQQPCAH-BXKMTCNYSA-N 1 1 473.574 2.211 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704037 719855104 /nfs/dbraw/zinc/85/51/04/719855104.db2.gz QPRVAYUBJTYQBE-IVZQSRNASA-N 1 1 462.934 2.303 20 0 JEADMO COC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c2ccccc2c1OC ZINC001164705031 719873585 /nfs/dbraw/zinc/87/35/85/719873585.db2.gz NBSGSVFJSZEMRP-UPCLLVRISA-N 1 1 457.527 2.263 20 0 JEADMO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164706313 719914590 /nfs/dbraw/zinc/91/45/90/719914590.db2.gz HMICZKOBYXFPAX-MDNUFGMLSA-N 1 1 463.582 2.288 20 0 JEADMO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164706313 719914600 /nfs/dbraw/zinc/91/46/00/719914600.db2.gz HMICZKOBYXFPAX-MDNUFGMLSA-N 1 1 463.582 2.288 20 0 JEADMO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710544 720082964 /nfs/dbraw/zinc/08/29/64/720082964.db2.gz JHVNRPUOJHUADN-BFLUCZKCSA-N 1 1 477.609 2.410 20 0 JEADMO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710544 720082969 /nfs/dbraw/zinc/08/29/69/720082969.db2.gz JHVNRPUOJHUADN-BFLUCZKCSA-N 1 1 477.609 2.410 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164811035 720133233 /nfs/dbraw/zinc/13/32/33/720133233.db2.gz KOWAWRGFHHEADL-OPAMFIHVSA-N 1 1 462.982 2.228 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164711685 720141070 /nfs/dbraw/zinc/14/10/70/720141070.db2.gz HVYSXVLAUVDWMC-HXUWFJFHSA-N 1 1 459.616 2.234 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1OC(C)=O ZINC001164812188 720231035 /nfs/dbraw/zinc/23/10/35/720231035.db2.gz CTOHFXJJQACCIG-UHFFFAOYSA-N 1 1 494.552 2.288 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C2)C1 ZINC001164720281 720231654 /nfs/dbraw/zinc/23/16/54/720231654.db2.gz UBIZSJMBMSWZFG-XMMPIXPASA-N 1 1 484.004 2.193 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C2)C1 ZINC001164720281 720231664 /nfs/dbraw/zinc/23/16/64/720231664.db2.gz UBIZSJMBMSWZFG-XMMPIXPASA-N 1 1 484.004 2.193 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CCC2 ZINC001164813800 720232069 /nfs/dbraw/zinc/23/20/69/720232069.db2.gz PFKGFKCSINECRF-UHFFFAOYSA-N 1 1 498.609 2.480 20 0 JEADMO O=C(NC[C@@H]1CC[C@@]2(COCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1cnccn1 ZINC001164820264 720273231 /nfs/dbraw/zinc/27/32/31/720273231.db2.gz VGPWVZYEBKWGRU-YADARESESA-N 1 1 487.004 2.305 20 0 JEADMO COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164819973 720370975 /nfs/dbraw/zinc/37/09/75/720370975.db2.gz KEIJKFGVAUTEKV-UHFFFAOYSA-N 1 1 469.615 2.156 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCOC[C@@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)n2)CC1 ZINC001164724832 720496163 /nfs/dbraw/zinc/49/61/63/720496163.db2.gz IFSDRAQWOIKRSR-NTKDMRAZSA-N 1 1 456.566 2.092 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001164833574 720571198 /nfs/dbraw/zinc/57/11/98/720571198.db2.gz AHDWKJNOWKWEHG-YPAWHYETSA-N 1 1 467.618 2.440 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164745705 720609332 /nfs/dbraw/zinc/60/93/32/720609332.db2.gz VOWQKJAGPOJYTG-IAGOWNOFSA-N 1 1 459.510 2.191 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744432 720640926 /nfs/dbraw/zinc/64/09/26/720640926.db2.gz SEYKYLHDZGIZSV-LSDHHAIUSA-N 1 1 451.909 2.407 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744432 720640947 /nfs/dbraw/zinc/64/09/47/720640947.db2.gz SEYKYLHDZGIZSV-LSDHHAIUSA-N 1 1 451.909 2.407 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)CC[C@@H]21 ZINC001164836964 720645543 /nfs/dbraw/zinc/64/55/43/720645543.db2.gz AKJCYJRTPXASGV-VYDXJSESSA-N 1 1 450.996 2.034 20 0 JEADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742010 720693741 /nfs/dbraw/zinc/69/37/41/720693741.db2.gz VIHWVANDOCZOCJ-BFYDXBDKSA-N 1 1 456.938 2.311 20 0 JEADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164740118 720697200 /nfs/dbraw/zinc/69/72/00/720697200.db2.gz QFCJGIUVRFJWQY-PMACEKPBSA-N 1 1 476.585 2.380 20 0 JEADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164740359 720728550 /nfs/dbraw/zinc/72/85/50/720728550.db2.gz KGVHHBAPPWQLBM-DNQXCXABSA-N 1 1 499.619 2.172 20 0 JEADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738545 720738884 /nfs/dbraw/zinc/73/88/84/720738884.db2.gz FYFGSNAZAYLNAU-NFQYPQQASA-N 1 1 480.569 2.384 20 0 JEADMO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164739951 720761640 /nfs/dbraw/zinc/76/16/40/720761640.db2.gz KASOSBKVZRBQMV-ZWKOTPCHSA-N 1 1 493.637 2.144 20 0 JEADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164746440 720772888 /nfs/dbraw/zinc/77/28/88/720772888.db2.gz YDSKZDXBMLIRRC-WOJBJXKFSA-N 1 1 476.560 2.074 20 0 JEADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737846 720783963 /nfs/dbraw/zinc/78/39/63/720783963.db2.gz CZOLQHYCPWATQY-SJORKVTESA-N 1 1 488.520 2.293 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164846556 720802024 /nfs/dbraw/zinc/80/20/24/720802024.db2.gz JIZRQKAHQIUCFQ-BHVFFLMSSA-N 1 1 499.656 2.000 20 0 JEADMO c1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164741831 720816341 /nfs/dbraw/zinc/81/63/41/720816341.db2.gz ONONFGKCHSPOQC-SVFBPWRDSA-N 1 1 480.642 2.499 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)c2)CC1 ZINC001164855704 720817224 /nfs/dbraw/zinc/81/72/24/720817224.db2.gz YHWDIIQAYSYLSN-QFQXNSOFSA-N 1 1 450.583 2.366 20 0 JEADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164742617 720830968 /nfs/dbraw/zinc/83/09/68/720830968.db2.gz QCVBAGDOAXRKEL-CEXWTWQISA-N 1 1 459.982 2.339 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c21 ZINC001164847688 720833124 /nfs/dbraw/zinc/83/31/24/720833124.db2.gz KGBGOFKNUXTXRI-MJGOQNOKSA-N 1 1 453.543 2.233 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749441 720837542 /nfs/dbraw/zinc/83/75/42/720837542.db2.gz VVHJAUGSFMMFCH-YTFSRNRJSA-N 1 1 494.644 2.227 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3cc(C)n4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164849004 720842913 /nfs/dbraw/zinc/84/29/13/720842913.db2.gz BHFFDVSXEHQKMU-DENIHFKCSA-N 1 1 485.610 2.150 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751818 720844316 /nfs/dbraw/zinc/84/43/16/720844316.db2.gz YYOUZEFLQLFOAE-BFYDXBDKSA-N 1 1 470.965 2.369 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@H]2C1 ZINC001164855380 720849445 /nfs/dbraw/zinc/84/94/45/720849445.db2.gz UDNPFLNKYONGLP-DOTOQJQBSA-N 1 1 474.936 2.415 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749883 720852585 /nfs/dbraw/zinc/85/25/85/720852585.db2.gz OMDBVQLGCICDMH-YPAWHYETSA-N 1 1 485.658 2.227 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C(=O)OCC ZINC001164751176 720860912 /nfs/dbraw/zinc/86/09/12/720860912.db2.gz QMXXHYOIOXUYCK-QKNQBKEWSA-N 1 1 482.585 2.406 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC[C@@H]2C1 ZINC001164854050 720862946 /nfs/dbraw/zinc/86/29/46/720862946.db2.gz INGLVINHAOWWEU-DENIHFKCSA-N 1 1 453.591 2.097 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851542 720864115 /nfs/dbraw/zinc/86/41/15/720864115.db2.gz ATBSLQGQRCCAFT-AHWVRZQESA-N 1 1 493.652 2.213 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164863714 720876217 /nfs/dbraw/zinc/87/62/17/720876217.db2.gz UADHTKUAGNGPHI-UYAOXDASSA-N 1 1 487.670 2.186 20 0 JEADMO NC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752456 720879583 /nfs/dbraw/zinc/87/95/83/720879583.db2.gz NAOYRQNEVWCKOA-WZONZLPQSA-N 1 1 456.978 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)CC[C@H]2C1 ZINC001164862222 720880004 /nfs/dbraw/zinc/88/00/04/720880004.db2.gz RJLGOKFZBXRLHH-REWPJTCUSA-N 1 1 470.593 2.116 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)CC[C@H]2C1 ZINC001164853390 720882221 /nfs/dbraw/zinc/88/22/21/720882221.db2.gz CJNQJZOKIRMGGA-HRAATJIYSA-N 1 1 482.553 2.334 20 0 JEADMO NC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755934 720883481 /nfs/dbraw/zinc/88/34/81/720883481.db2.gz NLIGFCGFXQRXGA-WZONZLPQSA-N 1 1 456.978 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC[C@@H]2C1 ZINC001164855331 720884632 /nfs/dbraw/zinc/88/46/32/720884632.db2.gz GYZVGDWDXJASSD-DYESRHJHSA-N 1 1 458.559 2.343 20 0 JEADMO NC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757157 720895442 /nfs/dbraw/zinc/89/54/42/720895442.db2.gz SZKCQJKMDNKGKN-MBSDFSHPSA-N 1 1 456.978 2.379 20 0 JEADMO CN1CC(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753994 720895801 /nfs/dbraw/zinc/89/58/01/720895801.db2.gz ICJSXCZJQNPLMP-CJFMBICVSA-N 1 1 463.586 2.015 20 0 JEADMO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753964 720897050 /nfs/dbraw/zinc/89/70/50/720897050.db2.gz HYLAYMFSOYQHSL-URXFXBBRSA-N 1 1 471.627 2.140 20 0 JEADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164757769 720897392 /nfs/dbraw/zinc/89/73/92/720897392.db2.gz VOZRFHMYBYIVIA-OZXSUGGESA-N 1 1 464.614 2.463 20 0 JEADMO NS(=O)(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164750844 720937583 /nfs/dbraw/zinc/93/75/83/720937583.db2.gz KYRYOYXONKJLNA-AUSIDOKSSA-N 1 1 475.590 2.018 20 0 JEADMO CCOC(=O)c1cnc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl ZINC001164864028 721031495 /nfs/dbraw/zinc/03/14/95/721031495.db2.gz WKMWFIBHBYMYBA-UHFFFAOYSA-N 1 1 451.865 2.356 20 0 JEADMO COCCOc1cc2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OCCOC ZINC001164762145 721090162 /nfs/dbraw/zinc/09/01/62/721090162.db2.gz CSDFUPKCJRJITJ-NHCUHLMSSA-N 1 1 496.612 2.372 20 0 JEADMO COCCOc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OCCOC ZINC001164762149 721090631 /nfs/dbraw/zinc/09/06/31/721090631.db2.gz CSDFUPKCJRJITJ-SFTDATJTSA-N 1 1 496.612 2.372 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)C1 ZINC001164875374 721149269 /nfs/dbraw/zinc/14/92/69/721149269.db2.gz LCCXINLQPASSSS-YPAWHYETSA-N 1 1 466.586 2.131 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877566 721152690 /nfs/dbraw/zinc/15/26/90/721152690.db2.gz OQVHTIIFMFZPPD-NHCUHLMSSA-N 1 1 459.616 2.423 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5ccn(S(=O)(=O)c6ccccc6)c5n4)C[C@@H]3C2)cn1 ZINC001164774436 721187304 /nfs/dbraw/zinc/18/73/04/721187304.db2.gz ZEHAKAXIZAPUAY-SFTDATJTSA-N 1 1 477.594 2.360 20 0 JEADMO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869195 721212423 /nfs/dbraw/zinc/21/24/23/721212423.db2.gz PDOCBYCJJJMIDA-IDISGSTGSA-N 1 1 485.592 2.383 20 0 JEADMO O=C(N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869195 721212429 /nfs/dbraw/zinc/21/24/29/721212429.db2.gz PDOCBYCJJJMIDA-IDISGSTGSA-N 1 1 485.592 2.383 20 0 JEADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869197 721212688 /nfs/dbraw/zinc/21/26/88/721212688.db2.gz PDOCBYCJJJMIDA-KDYSTLNUSA-N 1 1 485.592 2.383 20 0 JEADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869197 721212697 /nfs/dbraw/zinc/21/26/97/721212697.db2.gz PDOCBYCJJJMIDA-KDYSTLNUSA-N 1 1 485.592 2.383 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164762036 721223766 /nfs/dbraw/zinc/22/37/66/721223766.db2.gz BYVSBRXAEHGCJY-PKTZIBPZSA-N 1 1 458.614 2.495 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)C1 ZINC001164871882 721262115 /nfs/dbraw/zinc/26/21/15/721262115.db2.gz BDAZCSXWIWETNS-UHFFFAOYSA-N 1 1 452.333 2.335 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)CC2)C1 ZINC001164869909 721266470 /nfs/dbraw/zinc/26/64/70/721266470.db2.gz UKGLKXNUBGSQTP-UHFFFAOYSA-N 1 1 488.807 2.387 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)CC2)C1 ZINC001164868953 721272660 /nfs/dbraw/zinc/27/26/60/721272660.db2.gz GVRACZAJFLFKCS-GOSISDBHSA-N 1 1 492.024 2.186 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)CC2)C1 ZINC001164872951 721277179 /nfs/dbraw/zinc/27/71/79/721277179.db2.gz JFTGXJSHGMSXHI-UHFFFAOYSA-N 1 1 466.026 2.270 20 0 JEADMO COc1cccc(Oc2cncc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)n2)c1 ZINC001164874397 721280044 /nfs/dbraw/zinc/28/00/44/721280044.db2.gz PZRNDNGYEZLYBO-UHFFFAOYSA-N 1 1 455.559 2.285 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)C1 ZINC001164874543 721282646 /nfs/dbraw/zinc/28/26/46/721282646.db2.gz UKJPOMCWRYIHDE-UHFFFAOYSA-N 1 1 466.360 2.421 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)C1 ZINC001164878612 721287914 /nfs/dbraw/zinc/28/79/14/721287914.db2.gz RMANJFRLPYYCEZ-UHFFFAOYSA-N 1 1 481.597 2.312 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)C1 ZINC001164878671 721294458 /nfs/dbraw/zinc/29/44/58/721294458.db2.gz SIPJVWWDJDCVAM-UHFFFAOYSA-N 1 1 488.992 2.378 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001164777621 721336058 /nfs/dbraw/zinc/33/60/58/721336058.db2.gz OTOTVHRMLNIANO-VWLOTQADSA-N 1 1 469.586 2.278 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001164777621 721336064 /nfs/dbraw/zinc/33/60/64/721336064.db2.gz OTOTVHRMLNIANO-VWLOTQADSA-N 1 1 469.586 2.278 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779804 721347428 /nfs/dbraw/zinc/34/74/28/721347428.db2.gz WVCNPKAYJYZKLR-QHCPKHFHSA-N 1 1 459.547 2.386 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779804 721347433 /nfs/dbraw/zinc/34/74/33/721347433.db2.gz WVCNPKAYJYZKLR-QHCPKHFHSA-N 1 1 459.547 2.386 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164787074 721366758 /nfs/dbraw/zinc/36/67/58/721366758.db2.gz YKGZUVCJQNAUOE-QFIPXVFZSA-N 1 1 463.604 2.104 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164787074 721366762 /nfs/dbraw/zinc/36/67/62/721366762.db2.gz YKGZUVCJQNAUOE-QFIPXVFZSA-N 1 1 463.604 2.104 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cccnc4)C3)c2)CC1 ZINC001164780337 721381800 /nfs/dbraw/zinc/38/18/00/721381800.db2.gz GBXAWUJYVNNCOH-APTRMMRNSA-N 1 1 451.571 2.363 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc-2n1 ZINC001164892000 721408868 /nfs/dbraw/zinc/40/88/68/721408868.db2.gz XVSJDXBPAWZJFP-BXKMTCNYSA-N 1 1 457.575 2.124 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164898686 721426402 /nfs/dbraw/zinc/42/64/02/721426402.db2.gz WLSCSTWJRCZLLN-NLFFAJNJSA-N 1 1 459.635 2.324 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)C1=O ZINC001164897118 721429797 /nfs/dbraw/zinc/42/97/97/721429797.db2.gz SPCHHMDLDULTDS-SBUREZEXSA-N 1 1 463.026 2.260 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893651 721437240 /nfs/dbraw/zinc/43/72/40/721437240.db2.gz JVEABADFKAXRSU-RDPSFJRHSA-N 1 1 479.691 2.314 20 0 JEADMO COC(=O)c1nc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164889644 721450818 /nfs/dbraw/zinc/45/08/18/721450818.db2.gz OSBLMGHSCNNUND-XOBRGWDASA-N 1 1 458.390 2.335 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164890418 721451978 /nfs/dbraw/zinc/45/19/78/721451978.db2.gz RRPVPPQKUHCQFF-HYFFOGBASA-N 1 1 451.999 2.172 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164789400 721452934 /nfs/dbraw/zinc/45/29/34/721452934.db2.gz VIYYKHCWBRYJKU-GOSISDBHSA-N 1 1 457.575 2.430 20 0 JEADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164789400 721452939 /nfs/dbraw/zinc/45/29/39/721452939.db2.gz VIYYKHCWBRYJKU-GOSISDBHSA-N 1 1 457.575 2.430 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164789400 721452942 /nfs/dbraw/zinc/45/29/42/721452942.db2.gz VIYYKHCWBRYJKU-GOSISDBHSA-N 1 1 457.575 2.430 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889688 721453054 /nfs/dbraw/zinc/45/30/54/721453054.db2.gz PFHZOCFRHHXVQA-JTSKRJEESA-N 1 1 451.015 2.035 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)C3)O2)CC1 ZINC001164890398 721453197 /nfs/dbraw/zinc/45/31/97/721453197.db2.gz RLYGQFXOIKZSHM-PXNSSMCTSA-N 1 1 493.020 2.449 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164789923 721457687 /nfs/dbraw/zinc/45/76/87/721457687.db2.gz YNBYPTAFSPVYOE-QGZVFWFLSA-N 1 1 473.039 2.116 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164783297 721460483 /nfs/dbraw/zinc/46/04/83/721460483.db2.gz DDJHNBAYWDBEGL-NHCUHLMSSA-N 1 1 484.645 2.156 20 0 JEADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789489 721465209 /nfs/dbraw/zinc/46/52/09/721465209.db2.gz NFTXCADETTZFRF-XRSWDHFMSA-N 1 1 494.658 2.125 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164906784 721543043 /nfs/dbraw/zinc/54/30/43/721543043.db2.gz LHYBOTLEQZVHDI-PZJWPPBQSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001164808839 721566451 /nfs/dbraw/zinc/56/64/51/721566451.db2.gz VXOOOYUVDDLMAF-FDFHNCONSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807989 721571679 /nfs/dbraw/zinc/57/16/79/721571679.db2.gz UFTCNNGPMNUCOQ-RCCFBDPRSA-N 1 1 487.960 2.191 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807989 721571683 /nfs/dbraw/zinc/57/16/83/721571683.db2.gz UFTCNNGPMNUCOQ-RCCFBDPRSA-N 1 1 487.960 2.191 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)nc1 ZINC001164801341 721605402 /nfs/dbraw/zinc/60/54/02/721605402.db2.gz QEHZENYMLYROPB-SSGKUCQKSA-N 1 1 490.670 2.117 20 0 JEADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCOCC1)C2 ZINC001164910125 721758175 /nfs/dbraw/zinc/75/81/75/721758175.db2.gz NIENPVOQVCBGLA-UHFFFAOYSA-N 1 1 483.594 2.285 20 0 JEADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCOCC1)C2 ZINC001164910125 721758177 /nfs/dbraw/zinc/75/81/77/721758177.db2.gz NIENPVOQVCBGLA-UHFFFAOYSA-N 1 1 483.594 2.285 20 0 JEADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001165014712 721765859 /nfs/dbraw/zinc/76/58/59/721765859.db2.gz HWOIELVBABTQBM-UHFFFAOYSA-N 1 1 468.993 2.254 20 0 JEADMO Cn1cnc2c1nc(N1C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C1)nc2N1CCOCC1 ZINC001165023290 721807248 /nfs/dbraw/zinc/80/72/48/721807248.db2.gz JANNSEKGSGPEGT-SESVDKBCSA-N 1 1 462.602 2.332 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCOCC3)C[C@H]21 ZINC001165019002 721818671 /nfs/dbraw/zinc/81/86/71/721818671.db2.gz BIWFWEICGWUCBH-KSEOMHKRSA-N 1 1 471.627 2.234 20 0 JEADMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCn3ccnc3C2)n1 ZINC001165028345 721829263 /nfs/dbraw/zinc/82/92/63/721829263.db2.gz VOHJORLNTFBVIW-CEWLAPEOSA-N 1 1 475.601 2.229 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932347 721883914 /nfs/dbraw/zinc/88/39/14/721883914.db2.gz IZLLIURKKCDPPH-UXHICEINSA-N 1 1 451.543 2.375 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932347 721883915 /nfs/dbraw/zinc/88/39/15/721883915.db2.gz IZLLIURKKCDPPH-UXHICEINSA-N 1 1 451.543 2.375 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4S(=O)(=O)N4CCOCC4)CC3)C2)cc1 ZINC001164939131 721929265 /nfs/dbraw/zinc/92/92/65/721929265.db2.gz JGYGDBXUTXTYAJ-UHFFFAOYSA-N 1 1 486.638 2.282 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947641 721975473 /nfs/dbraw/zinc/97/54/73/721975473.db2.gz PTOULHYNIQFNDD-UHFFFAOYSA-N 1 1 497.987 2.014 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947641 721975476 /nfs/dbraw/zinc/97/54/76/721975476.db2.gz PTOULHYNIQFNDD-UHFFFAOYSA-N 1 1 497.987 2.014 20 0 JEADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164946917 721987954 /nfs/dbraw/zinc/98/79/54/721987954.db2.gz BDMJPUBMKXEEJD-RBBKRZOGSA-N 1 1 455.628 2.204 20 0 JEADMO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955336 722008791 /nfs/dbraw/zinc/00/87/91/722008791.db2.gz USTKVFUVRKJHCQ-NLFFAJNJSA-N 1 1 450.587 2.434 20 0 JEADMO CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955336 722008795 /nfs/dbraw/zinc/00/87/95/722008795.db2.gz USTKVFUVRKJHCQ-NLFFAJNJSA-N 1 1 450.587 2.434 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@@H]32)cn1 ZINC001164958634 722031648 /nfs/dbraw/zinc/03/16/48/722031648.db2.gz PBRFFFDZYOKNLC-AABGKKOBSA-N 1 1 458.994 2.336 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2COC[C@@H]12 ZINC001164961596 722036747 /nfs/dbraw/zinc/03/67/47/722036747.db2.gz LRZPCRDFNPITSA-BGWNEDDSSA-N 1 1 458.566 2.007 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2COC[C@@H]12 ZINC001164961596 722036748 /nfs/dbraw/zinc/03/67/48/722036748.db2.gz LRZPCRDFNPITSA-BGWNEDDSSA-N 1 1 458.566 2.007 20 0 JEADMO O=C([C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164961060 722044954 /nfs/dbraw/zinc/04/49/54/722044954.db2.gz KYDWGOKIHAPXBO-JOCHJYFZSA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164961060 722044957 /nfs/dbraw/zinc/04/49/57/722044957.db2.gz KYDWGOKIHAPXBO-JOCHJYFZSA-N 1 1 477.609 2.269 20 0 JEADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964973 722054481 /nfs/dbraw/zinc/05/44/81/722054481.db2.gz ZNSFUIDRLYLTDU-UHFFFAOYSA-N 1 1 458.588 2.284 20 0 JEADMO O=C(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CCN(Cc2ccccc2)CC1 ZINC001164966562 722073586 /nfs/dbraw/zinc/07/35/86/722073586.db2.gz BHIIHCCRSQJNBF-PSWAGMNNSA-N 1 1 461.610 2.339 20 0 JEADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CCO2 ZINC001164968815 722083804 /nfs/dbraw/zinc/08/38/04/722083804.db2.gz HQFKBYDSACLILP-FQRUVTKNSA-N 1 1 487.645 2.098 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3)cc21 ZINC001164977357 722114725 /nfs/dbraw/zinc/11/47/25/722114725.db2.gz MSTWXVIDCCLHHE-RDPSFJRHSA-N 1 1 458.566 2.485 20 0 JEADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972678 722138694 /nfs/dbraw/zinc/13/86/94/722138694.db2.gz AGYSPCAVQNXFSW-FCHUYYIVSA-N 1 1 464.618 2.194 20 0 JEADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972687 722139140 /nfs/dbraw/zinc/13/91/40/722139140.db2.gz AGYSPCAVQNXFSW-VXKWHMMOSA-N 1 1 464.618 2.194 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974290 722140594 /nfs/dbraw/zinc/14/05/94/722140594.db2.gz DFYATSNCHUREDB-RBBKRZOGSA-N 1 1 459.616 2.234 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2C1 ZINC001164976140 722142705 /nfs/dbraw/zinc/14/27/05/722142705.db2.gz HKWUAZAJGHKAJC-DENIHFKCSA-N 1 1 452.559 2.114 20 0 JEADMO COC(=O)c1ccc2nc(Cl)c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2c1 ZINC001164997701 722230282 /nfs/dbraw/zinc/23/02/82/722230282.db2.gz SYAWBIIALFHVTG-UHFFFAOYSA-N 1 1 467.961 2.217 20 0 JEADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997562 722232142 /nfs/dbraw/zinc/23/21/42/722232142.db2.gz PXWHQSDSEGTDNV-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO COc1cc2nc(Cl)c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2cc1OC ZINC001164997621 722233975 /nfs/dbraw/zinc/23/39/75/722233975.db2.gz SGPLMJKUCBKBFC-UHFFFAOYSA-N 1 1 469.977 2.447 20 0 JEADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164628626 719063463 /nfs/dbraw/zinc/06/34/63/719063463.db2.gz SVFPGHBRNWXNAD-PKTZIBPZSA-N 1 1 464.614 2.251 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4nc(Cl)nc5c4CN(C)CC5)C3)C2)cc[nH+]1 ZINC001164664630 719357589 /nfs/dbraw/zinc/35/75/89/719357589.db2.gz PYAANMKMDNMCJH-QHCPKHFHSA-N 1 1 473.025 2.097 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@@H](F)Oc4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663493 719357710 /nfs/dbraw/zinc/35/77/10/719357710.db2.gz GLZOPAJCTZZSQX-QUCCMNQESA-N 1 1 451.934 2.237 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164686562 719733047 /nfs/dbraw/zinc/73/30/47/719733047.db2.gz PDPYADHUSDGMAI-NTMALXAHSA-N 1 1 471.602 2.433 20 0 JEADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(=O)n(Cc3ccc(OC)cc3)cc-2[nH]1 ZINC001164704335 719866611 /nfs/dbraw/zinc/86/66/11/719866611.db2.gz LBHKHDUAIUSCRF-DCFHFQCYSA-N 1 1 494.592 2.479 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164711682 720141460 /nfs/dbraw/zinc/14/14/60/720141460.db2.gz HVYSXVLAUVDWMC-FQEVSTJZSA-N 1 1 459.616 2.234 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccsc3c(N3CCOCC3)n1)CCC2 ZINC001164810293 720214511 /nfs/dbraw/zinc/21/45/11/720214511.db2.gz BGZOVZSMTDTDKK-UHFFFAOYSA-N 1 1 469.615 2.335 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164813888 720233853 /nfs/dbraw/zinc/23/38/53/720233853.db2.gz QWEYZIQLMFKAIZ-UHFFFAOYSA-N 1 1 459.938 2.205 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CCC2 ZINC001164813246 720235732 /nfs/dbraw/zinc/23/57/32/720235732.db2.gz LXUFXMBAZNBQGD-UHFFFAOYSA-N 1 1 452.897 2.310 20 0 JEADMO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)C1 ZINC001164734375 720521138 /nfs/dbraw/zinc/52/11/38/720521138.db2.gz PVXYBYGWZVUGIF-PMACEKPBSA-N 1 1 483.661 2.275 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001164833572 720569981 /nfs/dbraw/zinc/56/99/81/720569981.db2.gz AHDWKJNOWKWEHG-BHIFYINESA-N 1 1 467.618 2.440 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739555 720629525 /nfs/dbraw/zinc/62/95/25/720629525.db2.gz FVSHQHBKLZNNCX-RBUKOAKNSA-N 1 1 491.577 2.109 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164737137 720695798 /nfs/dbraw/zinc/69/57/98/720695798.db2.gz DSDZMANBUGDANZ-WAOWUJCRSA-N 1 1 464.574 2.088 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741018 720699792 /nfs/dbraw/zinc/69/97/92/720699792.db2.gz RVKNJJAUZLEMIX-DLBZAZTESA-N 1 1 451.531 2.110 20 0 JEADMO COc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001164838339 720724097 /nfs/dbraw/zinc/72/40/97/720724097.db2.gz IDHAQCNYKREGLE-NRFANRHFSA-N 1 1 490.612 2.357 20 0 JEADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743368 720728225 /nfs/dbraw/zinc/72/82/25/720728225.db2.gz PTGQFGDWPPNXGX-AZUAARDMSA-N 1 1 480.594 2.470 20 0 JEADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164740361 720728586 /nfs/dbraw/zinc/72/85/86/720728586.db2.gz KGVHHBAPPWQLBM-ZEQRLZLVSA-N 1 1 499.619 2.172 20 0 JEADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164739918 720752891 /nfs/dbraw/zinc/75/28/91/720752891.db2.gz JTIJAIBLQGFUCS-CABCVRRESA-N 1 1 452.519 2.437 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@]4(C(=O)NCCc4ccccc4)C3)c2)CC1 ZINC001164855701 720817123 /nfs/dbraw/zinc/81/71/23/720817123.db2.gz YHWDIIQAYSYLSN-HFZDXXHNSA-N 1 1 450.583 2.366 20 0 JEADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCOCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738769 720827399 /nfs/dbraw/zinc/82/73/99/720827399.db2.gz GJYVOCPFBFTXJL-ZFGGDYGUSA-N 1 1 474.613 2.437 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164743684 720835906 /nfs/dbraw/zinc/83/59/06/720835906.db2.gz JRQUYZYAZNUMGX-IIDMSEBBSA-N 1 1 470.965 2.369 20 0 JEADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748858 720843666 /nfs/dbraw/zinc/84/36/66/720843666.db2.gz VAPKWKCVHPVJFU-IXDOHACOSA-N 1 1 450.996 2.109 20 0 JEADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748855 720843696 /nfs/dbraw/zinc/84/36/96/720843696.db2.gz VAPKWKCVHPVJFU-GVDBMIGSSA-N 1 1 450.996 2.109 20 0 JEADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744590 720845579 /nfs/dbraw/zinc/84/55/79/720845579.db2.gz KUOAAQQHSUEAIH-FDFHNCONSA-N 1 1 478.649 2.043 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCOCC1 ZINC001164748391 720849815 /nfs/dbraw/zinc/84/98/15/720849815.db2.gz UQOJTQXWISPZSN-KCZVDYSFSA-N 1 1 486.020 2.178 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)CC[C@H]2C1 ZINC001164862217 720879251 /nfs/dbraw/zinc/87/92/51/720879251.db2.gz RJLGOKFZBXRLHH-NZQKXSOJSA-N 1 1 470.593 2.116 20 0 JEADMO NC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752448 720879442 /nfs/dbraw/zinc/87/94/42/720879442.db2.gz NAOYRQNEVWCKOA-JPYJTQIMSA-N 1 1 456.978 2.379 20 0 JEADMO NC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755932 720883778 /nfs/dbraw/zinc/88/37/78/720883778.db2.gz NLIGFCGFXQRXGA-JPYJTQIMSA-N 1 1 456.978 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC[C@@H]2C1 ZINC001164855336 720884680 /nfs/dbraw/zinc/88/46/80/720884680.db2.gz GYZVGDWDXJASSD-UTKZUKDTSA-N 1 1 458.559 2.343 20 0 JEADMO C[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2N1C ZINC001164758495 720891617 /nfs/dbraw/zinc/89/16/17/720891617.db2.gz YPIIPPTUZRZKOB-JDITYXQVSA-N 1 1 477.613 2.404 20 0 JEADMO NC(=O)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755068 720895336 /nfs/dbraw/zinc/89/53/36/720895336.db2.gz KNOUPNQFASMRRO-MBSDFSHPSA-N 1 1 456.978 2.379 20 0 JEADMO CN1CC(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753998 720896063 /nfs/dbraw/zinc/89/60/63/720896063.db2.gz ICJSXCZJQNPLMP-NBGIEHNGSA-N 1 1 463.586 2.015 20 0 JEADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]12)c1ccno1 ZINC001164859112 720907453 /nfs/dbraw/zinc/90/74/53/720907453.db2.gz OUQPYRVSCUOEIC-ZYKOEDHHSA-N 1 1 474.565 2.294 20 0 JEADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12)c1ccno1 ZINC001164859112 720907460 /nfs/dbraw/zinc/90/74/60/720907460.db2.gz OUQPYRVSCUOEIC-ZYKOEDHHSA-N 1 1 474.565 2.294 20 0 JEADMO Cc1cc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C(=O)NC2=O ZINC001164755018 720908193 /nfs/dbraw/zinc/90/81/93/720908193.db2.gz XUPQMICNPCEBKM-IBVKSMDESA-N 1 1 461.566 2.424 20 0 JEADMO CS(=O)(=O)c1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1Cl ZINC001164863326 721034347 /nfs/dbraw/zinc/03/43/47/721034347.db2.gz RLKKYKIUGKFMLP-UHFFFAOYSA-N 1 1 456.906 2.187 20 0 JEADMO c1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164867090 721059867 /nfs/dbraw/zinc/05/98/67/721059867.db2.gz HSNJOEZFIKLFEO-RBUKOAKNSA-N 1 1 452.584 2.403 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863312 721099953 /nfs/dbraw/zinc/09/99/53/721099953.db2.gz BMBZCHQEZKURDD-SJORKVTESA-N 1 1 465.385 2.495 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863312 721099958 /nfs/dbraw/zinc/09/99/58/721099958.db2.gz BMBZCHQEZKURDD-SJORKVTESA-N 1 1 465.385 2.495 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1C ZINC001164881181 721135384 /nfs/dbraw/zinc/13/53/84/721135384.db2.gz ZNWRDXYRSIBKOU-HOTGVXAUSA-N 1 1 456.934 2.283 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c21 ZINC001164872415 721261087 /nfs/dbraw/zinc/26/10/87/721261087.db2.gz DMPVRMRHQOPSFG-UHFFFAOYSA-N 1 1 494.596 2.066 20 0 JEADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164874474 721277975 /nfs/dbraw/zinc/27/79/75/721277975.db2.gz SCQTUJZFROQFQI-UHFFFAOYSA-N 1 1 466.026 2.224 20 0 JEADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164877703 721289512 /nfs/dbraw/zinc/28/95/12/721289512.db2.gz ODLBCDSLNVBZIH-UHFFFAOYSA-N 1 1 453.587 2.371 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)C1 ZINC001164873870 721290273 /nfs/dbraw/zinc/29/02/73/721290273.db2.gz CIERISYZAYFVHX-UHFFFAOYSA-N 1 1 450.587 2.034 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4OCC[C@@H]4[C@H](C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164881336 721304858 /nfs/dbraw/zinc/30/48/58/721304858.db2.gz VOQKLIJMMGENHJ-ZLNRFVROSA-N 1 1 451.571 2.107 20 0 JEADMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880602 721321684 /nfs/dbraw/zinc/32/16/84/721321684.db2.gz YOVXDXLHEMVAJP-KSNOWIBYSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880602 721321688 /nfs/dbraw/zinc/32/16/88/721321688.db2.gz YOVXDXLHEMVAJP-KSNOWIBYSA-N 1 1 485.592 2.239 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164776389 721346708 /nfs/dbraw/zinc/34/67/08/721346708.db2.gz AYLDKMZFAVEKLA-HXUWFJFHSA-N 1 1 469.995 2.106 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164776389 721346711 /nfs/dbraw/zinc/34/67/11/721346711.db2.gz AYLDKMZFAVEKLA-HXUWFJFHSA-N 1 1 469.995 2.106 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782197 721357656 /nfs/dbraw/zinc/35/76/56/721357656.db2.gz LAKKZPMBQOWWSR-QFIPXVFZSA-N 1 1 463.604 2.104 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782197 721357658 /nfs/dbraw/zinc/35/76/58/721357658.db2.gz LAKKZPMBQOWWSR-QFIPXVFZSA-N 1 1 463.604 2.104 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N(C)C)cn3)C2)C1 ZINC001164781681 721365612 /nfs/dbraw/zinc/36/56/12/721365612.db2.gz KXMNQBIIJKEXLM-JOCHJYFZSA-N 1 1 463.604 2.056 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N(C)C)cn3)C2)C1 ZINC001164781681 721365614 /nfs/dbraw/zinc/36/56/14/721365614.db2.gz KXMNQBIIJKEXLM-JOCHJYFZSA-N 1 1 463.604 2.056 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC(C)C)cn3)C2)C1 ZINC001164780284 721366739 /nfs/dbraw/zinc/36/67/39/721366739.db2.gz FMXPSRBNYFIIST-QHCPKHFHSA-N 1 1 477.631 2.492 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC(C)C)cn3)C2)C1 ZINC001164780284 721366742 /nfs/dbraw/zinc/36/67/42/721366742.db2.gz FMXPSRBNYFIIST-QHCPKHFHSA-N 1 1 477.631 2.492 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001164785035 721366886 /nfs/dbraw/zinc/36/68/86/721366886.db2.gz RVCRUEZTYUTXTP-HSZRJFAPSA-N 1 1 475.615 2.246 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001164785035 721366890 /nfs/dbraw/zinc/36/68/90/721366890.db2.gz RVCRUEZTYUTXTP-HSZRJFAPSA-N 1 1 475.615 2.246 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)C1 ZINC001164780035 721370433 /nfs/dbraw/zinc/37/04/33/721370433.db2.gz CMQSGKVXTXZBEM-HXUWFJFHSA-N 1 1 469.995 2.106 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)C1 ZINC001164780035 721370437 /nfs/dbraw/zinc/37/04/37/721370437.db2.gz CMQSGKVXTXZBEM-HXUWFJFHSA-N 1 1 469.995 2.106 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891025 721405873 /nfs/dbraw/zinc/40/58/73/721405873.db2.gz VASPZTZBUJHURS-JTSKRJEESA-N 1 1 451.999 2.001 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)C3)O2)CC1 ZINC001164886696 721407492 /nfs/dbraw/zinc/40/74/92/721407492.db2.gz KTQHPJBSJHVMGR-FQRUVTKNSA-N 1 1 464.614 2.128 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)C3)O2)CC1 ZINC001164886692 721407790 /nfs/dbraw/zinc/40/77/90/721407790.db2.gz KTQHPJBSJHVMGR-FNZWTVRRSA-N 1 1 464.614 2.128 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)O2)CC1 ZINC001164894300 721430312 /nfs/dbraw/zinc/43/03/12/721430312.db2.gz LLLDSYHBJOCUSS-FOIQADDNSA-N 1 1 457.953 2.144 20 0 JEADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)no1 ZINC001164892179 721432554 /nfs/dbraw/zinc/43/25/54/721432554.db2.gz HNQWXUNFEQLBSL-NTKDMRAZSA-N 1 1 454.575 2.396 20 0 JEADMO COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(N2CCCCCC2)n1 ZINC001164898291 721432571 /nfs/dbraw/zinc/43/25/71/721432571.db2.gz VOVZEXANYVGKLF-YKSBVNFPSA-N 1 1 459.639 2.026 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164890271 721435682 /nfs/dbraw/zinc/43/56/82/721435682.db2.gz CXGNFOKZNALQNB-LIRRHRJNSA-N 1 1 455.941 2.268 20 0 JEADMO COC(=O)c1nc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164889642 721451094 /nfs/dbraw/zinc/45/10/94/721451094.db2.gz OSBLMGHSCNNUND-VBKZILBWSA-N 1 1 458.390 2.335 20 0 JEADMO COC(=O)c1nc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164889641 721451223 /nfs/dbraw/zinc/45/12/23/721451223.db2.gz OSBLMGHSCNNUND-JLTOFOAXSA-N 1 1 458.390 2.335 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164783222 721451294 /nfs/dbraw/zinc/45/12/94/721451294.db2.gz ABOJDCMDPHRGNL-QHCPKHFHSA-N 1 1 472.630 2.288 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)C3)O2)CC1 ZINC001164888461 721451493 /nfs/dbraw/zinc/45/14/93/721451493.db2.gz MKDIFQUDDKLHPJ-NJNPRVFISA-N 1 1 451.999 2.063 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164783296 721460271 /nfs/dbraw/zinc/46/02/71/721460271.db2.gz DDJHNBAYWDBEGL-LEWJYISDSA-N 1 1 484.645 2.156 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164791320 721466784 /nfs/dbraw/zinc/46/67/84/721466784.db2.gz WZIMAQKXNLHYIM-HXUWFJFHSA-N 1 1 466.648 2.066 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164786706 721473175 /nfs/dbraw/zinc/47/31/75/721473175.db2.gz BZGRXYYRXQYVMS-QGZVFWFLSA-N 1 1 485.050 2.194 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C(=O)OCC ZINC001164900291 721522981 /nfs/dbraw/zinc/52/29/81/721522981.db2.gz PTUYFJHBJUESIQ-WMZOPIPTSA-N 1 1 458.490 2.311 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809660 721577614 /nfs/dbraw/zinc/57/76/14/721577614.db2.gz UIYDCSFYVPBUGW-XJUOHMSHSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809660 721577617 /nfs/dbraw/zinc/57/76/17/721577617.db2.gz UIYDCSFYVPBUGW-XJUOHMSHSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164810939 721584977 /nfs/dbraw/zinc/58/49/77/721584977.db2.gz WSAPDZZDOQTRFD-XJUOHMSHSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164810939 721584980 /nfs/dbraw/zinc/58/49/80/721584980.db2.gz WSAPDZZDOQTRFD-XJUOHMSHSA-N 1 1 457.600 2.129 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2C1 ZINC001164806873 721591195 /nfs/dbraw/zinc/59/11/95/721591195.db2.gz NKXZKWOMBBHVBZ-MWIHYIROSA-N 1 1 451.571 2.408 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2C1 ZINC001164806873 721591196 /nfs/dbraw/zinc/59/11/96/721591196.db2.gz NKXZKWOMBBHVBZ-MWIHYIROSA-N 1 1 451.571 2.408 20 0 JEADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)C2 ZINC001164911838 721762921 /nfs/dbraw/zinc/76/29/21/721762921.db2.gz SQEABXIATGMFQU-UHFFFAOYSA-N 1 1 495.605 2.135 20 0 JEADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)C2 ZINC001164911838 721762924 /nfs/dbraw/zinc/76/29/24/721762924.db2.gz SQEABXIATGMFQU-UHFFFAOYSA-N 1 1 495.605 2.135 20 0 JEADMO COc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c(OC)c1 ZINC001164916998 721785768 /nfs/dbraw/zinc/78/57/68/721785768.db2.gz VCKDDLDYMZDZIR-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c(OC)c1 ZINC001164916998 721785770 /nfs/dbraw/zinc/78/57/70/721785770.db2.gz VCKDDLDYMZDZIR-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914043 721790776 /nfs/dbraw/zinc/79/07/76/721790776.db2.gz AFNFQOBJUFEZJM-NZHPTEEQSA-N 1 1 463.538 2.252 20 0 JEADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914043 721790779 /nfs/dbraw/zinc/79/07/79/721790779.db2.gz AFNFQOBJUFEZJM-NZHPTEEQSA-N 1 1 463.538 2.252 20 0 JEADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914042 721791170 /nfs/dbraw/zinc/79/11/70/721791170.db2.gz AFNFQOBJUFEZJM-MGPWBUOISA-N 1 1 463.538 2.252 20 0 JEADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914042 721791171 /nfs/dbraw/zinc/79/11/71/721791171.db2.gz AFNFQOBJUFEZJM-MGPWBUOISA-N 1 1 463.538 2.252 20 0 JEADMO COc1cc(OC)c2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164914707 721801032 /nfs/dbraw/zinc/80/10/32/721801032.db2.gz QPMINSZVCHNJAH-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc(OC)c2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164914707 721801034 /nfs/dbraw/zinc/80/10/34/721801034.db2.gz QPMINSZVCHNJAH-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO Cn1cnc2c1nc(N1C[C@H]3[C@@H](C1)CCC[C@H]3[N@@H+](C)Cc1ccccn1)nc2N1CCOCC1 ZINC001165023288 721807411 /nfs/dbraw/zinc/80/74/11/721807411.db2.gz JANNSEKGSGPEGT-HLAWJBBLSA-N 1 1 462.602 2.332 20 0 JEADMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCn3ccnc3C2)n1 ZINC001165028349 721829179 /nfs/dbraw/zinc/82/91/79/721829179.db2.gz VOHJORLNTFBVIW-SESVDKBCSA-N 1 1 475.601 2.229 20 0 JEADMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCn3ccnc3C2)n1 ZINC001165028352 721829435 /nfs/dbraw/zinc/82/94/35/721829435.db2.gz VOHJORLNTFBVIW-TYPHKJRUSA-N 1 1 475.601 2.229 20 0 JEADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165034946 721875893 /nfs/dbraw/zinc/87/58/93/721875893.db2.gz QUMHHYCUDIJUFP-INIZCTEOSA-N 1 1 457.600 2.424 20 0 JEADMO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939135 721917547 /nfs/dbraw/zinc/91/75/47/721917547.db2.gz SEZYAIIRMVTSIS-CUNXSJBXSA-N 1 1 477.609 2.412 20 0 JEADMO O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939135 721917550 /nfs/dbraw/zinc/91/75/50/721917550.db2.gz SEZYAIIRMVTSIS-CUNXSJBXSA-N 1 1 477.609 2.412 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1C ZINC001164947158 721977692 /nfs/dbraw/zinc/97/76/92/721977692.db2.gz NXVVKTANUNOONC-UHFFFAOYSA-N 1 1 482.972 2.379 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1C ZINC001164947158 721977698 /nfs/dbraw/zinc/97/76/98/721977698.db2.gz NXVVKTANUNOONC-UHFFFAOYSA-N 1 1 482.972 2.379 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)c2c1C ZINC001164951272 721989580 /nfs/dbraw/zinc/98/95/80/721989580.db2.gz LRJJHTYJQFMWNP-ROUUACIJSA-N 1 1 478.688 2.468 20 0 JEADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)CC3)c1 ZINC001164953658 722013993 /nfs/dbraw/zinc/01/39/93/722013993.db2.gz FUHPDOBOWLNCQX-UHFFFAOYSA-N 1 1 479.629 2.037 20 0 JEADMO O=S(=O)(c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1)N1CCCC1 ZINC001164963351 722060875 /nfs/dbraw/zinc/06/08/75/722060875.db2.gz XGSUQPOZYADSJM-UHFFFAOYSA-N 1 1 471.627 2.380 20 0 JEADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164966592 722076505 /nfs/dbraw/zinc/07/65/05/722076505.db2.gz CZPRTJJTCBUKHQ-CALCHBBNSA-N 1 1 450.511 2.460 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)nc1 ZINC001164969844 722087710 /nfs/dbraw/zinc/08/77/10/722087710.db2.gz APFBOBIMAHDWMC-YPAWHYETSA-N 1 1 477.675 2.337 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982610 722127291 /nfs/dbraw/zinc/12/72/91/722127291.db2.gz XIYLATMUBSQNCR-QZTJIDSGSA-N 1 1 485.976 2.165 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164975210 722128948 /nfs/dbraw/zinc/12/89/48/722128948.db2.gz FSSFPQJWZOZAIM-DHIUTWEWSA-N 1 1 480.613 2.378 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974288 722141076 /nfs/dbraw/zinc/14/10/76/722141076.db2.gz DFYATSNCHUREDB-IRLDBZIGSA-N 1 1 459.616 2.234 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)NCc2ccccc2)CC3)CC1 ZINC001164997671 722230311 /nfs/dbraw/zinc/23/03/11/722230311.db2.gz RVCLWKGRUAATFZ-UHFFFAOYSA-N 1 1 457.582 2.159 20 0 JEADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996803 722232855 /nfs/dbraw/zinc/23/28/55/722232855.db2.gz JLRYSFDRKMJBQC-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO CCOC(=O)c1cc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2s1 ZINC001164997548 722235457 /nfs/dbraw/zinc/23/54/57/722235457.db2.gz PGUDRILLKCAYGR-UHFFFAOYSA-N 1 1 453.572 2.015 20 0 JEADMO COc1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)c(OC)c1 ZINC001165001098 722238479 /nfs/dbraw/zinc/23/84/79/722238479.db2.gz CDXCEMUBXGMCEV-UHFFFAOYSA-N 1 1 461.570 2.308 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CCC5(C[C@H]5CCO)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164393699 718811295 /nfs/dbraw/zinc/81/12/95/718811295.db2.gz TVYRWSITBNLBTM-LJQANCHMSA-N 1 1 486.686 2.264 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5CC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408620 718870391 /nfs/dbraw/zinc/87/03/91/718870391.db2.gz MUIYULQENMHUSN-DOTOQJQBSA-N 1 1 464.586 2.367 20 0 JEADMO COC(=O)[C@H]1CNCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164629723 719135528 /nfs/dbraw/zinc/13/55/28/719135528.db2.gz CQBYQUNFOUPXIM-GOSISDBHSA-N 1 1 470.957 2.348 20 0 JEADMO CN1CCN(c2ccc(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)nn2)CC1 ZINC001164630257 719138375 /nfs/dbraw/zinc/13/83/75/719138375.db2.gz IFTRKZSDHGLWLE-UHFFFAOYSA-N 1 1 484.612 2.471 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)C3)C2)cc[nH+]1 ZINC001164662842 719357526 /nfs/dbraw/zinc/35/75/26/719357526.db2.gz AHQWTBUVDPULLD-FQEVSTJZSA-N 1 1 468.936 2.498 20 0 JEADMO CCn1nnc2c1[C@@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164662685 719361211 /nfs/dbraw/zinc/36/12/11/719361211.db2.gz DLFUYJGJFSGOOF-QZTJIDSGSA-N 1 1 485.633 2.242 20 0 JEADMO CCn1nnc2c1[C@@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164662685 719361213 /nfs/dbraw/zinc/36/12/13/719361213.db2.gz DLFUYJGJFSGOOF-QZTJIDSGSA-N 1 1 485.633 2.242 20 0 JEADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164687705 719692524 /nfs/dbraw/zinc/69/25/24/719692524.db2.gz UGWFSNXPWPULDI-GOSISDBHSA-N 1 1 454.575 2.079 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1C ZINC001164700504 719839024 /nfs/dbraw/zinc/83/90/24/719839024.db2.gz KXOABUYPFGGEOR-NYHFZMIOSA-N 1 1 462.572 2.409 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c21 ZINC001164700882 719839062 /nfs/dbraw/zinc/83/90/62/719839062.db2.gz KZUAJHWZFUAEQV-GKVSMKOHSA-N 1 1 481.553 2.292 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164712596 720097482 /nfs/dbraw/zinc/09/74/82/720097482.db2.gz XGRNVOTYCICMBS-HSZRJFAPSA-N 1 1 465.598 2.457 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164718577 720112602 /nfs/dbraw/zinc/11/26/02/720112602.db2.gz SPRYFEXYPOKURF-QGZVFWFLSA-N 1 1 466.007 2.285 20 0 JEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164814234 720152685 /nfs/dbraw/zinc/15/26/85/720152685.db2.gz FDPIAEYJTVDIIB-KDOFPFPSSA-N 1 1 464.966 2.112 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CCC2 ZINC001164812941 720210915 /nfs/dbraw/zinc/21/09/15/720210915.db2.gz NIUKDFHGMQDYOG-UHFFFAOYSA-N 1 1 454.909 2.186 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1N1CCOCC1)CCC2 ZINC001164812187 720222522 /nfs/dbraw/zinc/22/25/22/720222522.db2.gz GLHPALVMBWMORT-UHFFFAOYSA-N 1 1 463.586 2.274 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CCC2 ZINC001164812951 720226857 /nfs/dbraw/zinc/22/68/57/720226857.db2.gz KXAFQFOWLZOLFT-UHFFFAOYSA-N 1 1 482.416 2.427 20 0 JEADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)C1 ZINC001164812642 720239128 /nfs/dbraw/zinc/23/91/28/720239128.db2.gz HGBRNTIJPXELOW-IBGZPJMESA-N 1 1 483.617 2.063 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1C ZINC001164723831 720283453 /nfs/dbraw/zinc/28/34/53/720283453.db2.gz YEKFJXVTXGRAFO-HSZRJFAPSA-N 1 1 475.615 2.150 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1C ZINC001164723831 720283459 /nfs/dbraw/zinc/28/34/59/720283459.db2.gz YEKFJXVTXGRAFO-HSZRJFAPSA-N 1 1 475.615 2.150 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164720789 720290295 /nfs/dbraw/zinc/29/02/95/720290295.db2.gz DVMNFZVLVBPZMX-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164720789 720290300 /nfs/dbraw/zinc/29/03/00/720290300.db2.gz DVMNFZVLVBPZMX-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164721831 720320349 /nfs/dbraw/zinc/32/03/49/720320349.db2.gz IBGWNAZJPAQDQD-NKKJXINNSA-N 1 1 465.598 2.266 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164721831 720320354 /nfs/dbraw/zinc/32/03/54/720320354.db2.gz IBGWNAZJPAQDQD-NKKJXINNSA-N 1 1 465.598 2.266 20 0 JEADMO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)C1 ZINC001164734530 720520845 /nfs/dbraw/zinc/52/08/45/720520845.db2.gz PVXYBYGWZVUGIF-WOJBJXKFSA-N 1 1 483.661 2.275 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C(=O)OCC ZINC001164833318 720524307 /nfs/dbraw/zinc/52/43/07/720524307.db2.gz DAHNGRKLWXHKBT-NLWGTHIKSA-N 1 1 470.574 2.404 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835514 720573380 /nfs/dbraw/zinc/57/33/80/720573380.db2.gz HPNNUPIFVUBALO-QHAWAJNXSA-N 1 1 458.632 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@@H]21 ZINC001164842782 720612392 /nfs/dbraw/zinc/61/23/92/720612392.db2.gz VNSIKGPYKLJHQH-ACRUOGEOSA-N 1 1 465.602 2.486 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739554 720630844 /nfs/dbraw/zinc/63/08/44/720630844.db2.gz FVSHQHBKLZNNCX-OALUTQOASA-N 1 1 491.577 2.109 20 0 JEADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164740119 720698278 /nfs/dbraw/zinc/69/82/78/720698278.db2.gz QFCJGIUVRFJWQY-UXHICEINSA-N 1 1 476.585 2.380 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164841629 720712003 /nfs/dbraw/zinc/71/20/03/720712003.db2.gz VDVOXFNVBJEPAV-JOCHJYFZSA-N 1 1 486.638 2.362 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164836424 720720235 /nfs/dbraw/zinc/72/02/35/720720235.db2.gz AFSRSGYGWXFTLM-SFTDATJTSA-N 1 1 450.587 2.191 20 0 JEADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738541 720735971 /nfs/dbraw/zinc/73/59/71/720735971.db2.gz FYFGSNAZAYLNAU-DRICUUHLSA-N 1 1 480.569 2.384 20 0 JEADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)CC1 ZINC001164746436 720773871 /nfs/dbraw/zinc/77/38/71/720773871.db2.gz YDSKZDXBMLIRRC-PMACEKPBSA-N 1 1 476.560 2.074 20 0 JEADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747076 720818145 /nfs/dbraw/zinc/81/81/45/720818145.db2.gz ZYUSBGQUDJNQPK-ZHALLVOQSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747076 720818147 /nfs/dbraw/zinc/81/81/47/720818147.db2.gz ZYUSBGQUDJNQPK-ZHALLVOQSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747076 720818150 /nfs/dbraw/zinc/81/81/50/720818150.db2.gz ZYUSBGQUDJNQPK-ZHALLVOQSA-N 1 1 450.547 2.106 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)cc21 ZINC001164742636 720826279 /nfs/dbraw/zinc/82/62/79/720826279.db2.gz QFHRZUWHPPERTF-MZLICYQSSA-N 1 1 472.597 2.334 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742199 720830233 /nfs/dbraw/zinc/83/02/33/720830233.db2.gz QBGLAYGVBFLUOX-ZIFCJYIRSA-N 1 1 459.982 2.207 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164743686 720836301 /nfs/dbraw/zinc/83/63/01/720836301.db2.gz JRQUYZYAZNUMGX-RLFYNMQTSA-N 1 1 470.965 2.369 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749432 720837608 /nfs/dbraw/zinc/83/76/08/720837608.db2.gz VVHJAUGSFMMFCH-RJGXRXQPSA-N 1 1 494.644 2.227 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748989 720842338 /nfs/dbraw/zinc/84/23/38/720842338.db2.gz VKEWRMHBDZOEBN-WSTZPKSXSA-N 1 1 464.574 2.116 20 0 JEADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747778 720843815 /nfs/dbraw/zinc/84/38/15/720843815.db2.gz RPXXERUOAJHWGI-IIDMSEBBSA-N 1 1 465.936 2.350 20 0 JEADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744593 720845764 /nfs/dbraw/zinc/84/57/64/720845764.db2.gz KUOAAQQHSUEAIH-FKBYEOEOSA-N 1 1 478.649 2.043 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)N1CCCCC1 ZINC001164747977 720847143 /nfs/dbraw/zinc/84/71/43/720847143.db2.gz SCSLHVANYJLDLD-QZNHQXDQSA-N 1 1 485.658 2.227 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741838 720848963 /nfs/dbraw/zinc/84/89/63/720848963.db2.gz FQNMQCCLYNJJDQ-FUPPJEDESA-N 1 1 487.674 2.377 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753972 720861009 /nfs/dbraw/zinc/86/10/09/720861009.db2.gz ZJFHIAFAUSGSQL-YQVWRLOYSA-N 1 1 458.998 2.241 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164751227 720861110 /nfs/dbraw/zinc/86/11/10/720861110.db2.gz QWOZJACTMRGFNM-WRHDZBKDSA-N 1 1 465.602 2.116 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753970 720861328 /nfs/dbraw/zinc/86/13/28/720861328.db2.gz ZJFHIAFAUSGSQL-JENIJYKNSA-N 1 1 458.998 2.241 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851543 720864920 /nfs/dbraw/zinc/86/49/20/720864920.db2.gz ATBSLQGQRCCAFT-AOYPEHQESA-N 1 1 493.652 2.213 20 0 JEADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)ncn2)C3)c1 ZINC001164752233 720873967 /nfs/dbraw/zinc/87/39/67/720873967.db2.gz MFFGBLXSUWSMMD-JYFHCDHNSA-N 1 1 464.614 2.463 20 0 JEADMO NC(=O)c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752452 720879225 /nfs/dbraw/zinc/87/92/25/720879225.db2.gz NAOYRQNEVWCKOA-MBSDFSHPSA-N 1 1 456.978 2.379 20 0 JEADMO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@@H]2C1 ZINC001164863882 720882902 /nfs/dbraw/zinc/88/29/02/720882902.db2.gz UVNMMOCMFUXAKW-XLIONFOSSA-N 1 1 464.563 2.195 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@@H]2C1 ZINC001164863882 720882905 /nfs/dbraw/zinc/88/29/05/720882905.db2.gz UVNMMOCMFUXAKW-XLIONFOSSA-N 1 1 464.563 2.195 20 0 JEADMO NC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757155 720894985 /nfs/dbraw/zinc/89/49/85/720894985.db2.gz SZKCQJKMDNKGKN-FDDCHVKYSA-N 1 1 456.978 2.379 20 0 JEADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164757772 720897203 /nfs/dbraw/zinc/89/72/03/720897203.db2.gz VOZRFHMYBYIVIA-ZEQKJWHPSA-N 1 1 464.614 2.463 20 0 JEADMO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753968 720897339 /nfs/dbraw/zinc/89/73/39/720897339.db2.gz HYLAYMFSOYQHSL-ZJSXRUAMSA-N 1 1 471.627 2.140 20 0 JEADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164746516 720942154 /nfs/dbraw/zinc/94/21/54/720942154.db2.gz BGAFJWKMLNJMFG-SQJMNOBHSA-N 1 1 489.686 2.339 20 0 JEADMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164759705 721024493 /nfs/dbraw/zinc/02/44/93/721024493.db2.gz NFFZMCLIJHPHMI-FQEVSTJZSA-N 1 1 471.569 2.062 20 0 JEADMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164759705 721024502 /nfs/dbraw/zinc/02/45/02/721024502.db2.gz NFFZMCLIJHPHMI-FQEVSTJZSA-N 1 1 471.569 2.062 20 0 JEADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164871597 721143555 /nfs/dbraw/zinc/14/35/55/721143555.db2.gz FVJXCBKNXMAIIR-SFTDATJTSA-N 1 1 457.600 2.131 20 0 JEADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164872632 721151077 /nfs/dbraw/zinc/15/10/77/721151077.db2.gz HYPHJBPDTYIISK-PMACEKPBSA-N 1 1 457.962 2.082 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869727 721165393 /nfs/dbraw/zinc/16/53/93/721165393.db2.gz AGDXNBDSAWATGF-NHCUHLMSSA-N 1 1 457.600 2.131 20 0 JEADMO CNC(=O)[C@]12CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870609 721205863 /nfs/dbraw/zinc/20/58/63/721205863.db2.gz WBNMEUDNOKRFDU-WZONZLPQSA-N 1 1 455.994 2.342 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164762034 721222724 /nfs/dbraw/zinc/22/27/24/721222724.db2.gz BYVSBRXAEHGCJY-DHIUTWEWSA-N 1 1 458.614 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164769869 721248368 /nfs/dbraw/zinc/24/83/68/721248368.db2.gz ZWNJOHLKKRDDHP-HOTGVXAUSA-N 1 1 452.390 2.312 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164874381 721258776 /nfs/dbraw/zinc/25/87/76/721258776.db2.gz KXUACCUQSDTFOB-BWKNWUBXSA-N 1 1 450.587 2.176 20 0 JEADMO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164879742 721264057 /nfs/dbraw/zinc/26/40/57/721264057.db2.gz YLBYLROWKPOWOF-UHFFFAOYSA-N 1 1 463.982 2.404 20 0 JEADMO O=C(NCc1cnc2n1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2)c1ccno1 ZINC001164764431 721268186 /nfs/dbraw/zinc/26/81/86/721268186.db2.gz GOTYREQLKDPAPP-UHFFFAOYSA-N 1 1 470.537 2.170 20 0 JEADMO O=C(NCc1cnc2n1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2)c1ccno1 ZINC001164764431 721268188 /nfs/dbraw/zinc/26/81/88/721268188.db2.gz GOTYREQLKDPAPP-UHFFFAOYSA-N 1 1 470.537 2.170 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC2)C1 ZINC001164868954 721272290 /nfs/dbraw/zinc/27/22/90/721272290.db2.gz GVRACZAJFLFKCS-SFHVURJKSA-N 1 1 492.024 2.186 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)[nH]c(C)c(C)c-2n1 ZINC001164875938 721276589 /nfs/dbraw/zinc/27/65/89/721276589.db2.gz ZPMGRKXAEGZLGU-UHFFFAOYSA-N 1 1 471.602 2.363 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4nc3N3CCCC3)CC2)C1 ZINC001164874467 721283460 /nfs/dbraw/zinc/28/34/60/721283460.db2.gz RZVNCFCIOPDIKX-UHFFFAOYSA-N 1 1 452.603 2.237 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164875894 721284202 /nfs/dbraw/zinc/28/42/02/721284202.db2.gz ZKDAEXNLSBLFHV-UHFFFAOYSA-N 1 1 490.004 2.467 20 0 JEADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1)C1CC1 ZINC001164874294 721284293 /nfs/dbraw/zinc/28/42/93/721284293.db2.gz PJESNVOPGWQLON-NRFANRHFSA-N 1 1 458.603 2.145 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4OCC[C@@H]4[C@@H](C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164881334 721305178 /nfs/dbraw/zinc/30/51/78/721305178.db2.gz VOQKLIJMMGENHJ-VJBWXMMDSA-N 1 1 451.571 2.107 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4OCC[C@H]4[C@@H](C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164881333 721305223 /nfs/dbraw/zinc/30/52/23/721305223.db2.gz VOQKLIJMMGENHJ-VABKMULXSA-N 1 1 451.571 2.107 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)N(C)C)cn3)C2)C1 ZINC001164781687 721365147 /nfs/dbraw/zinc/36/51/47/721365147.db2.gz KXMNQBIIJKEXLM-QFIPXVFZSA-N 1 1 463.604 2.056 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)N(C)C)cn3)C2)C1 ZINC001164781687 721365150 /nfs/dbraw/zinc/36/51/50/721365150.db2.gz KXMNQBIIJKEXLM-QFIPXVFZSA-N 1 1 463.604 2.056 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164781413 721369613 /nfs/dbraw/zinc/36/96/13/721369613.db2.gz JBNOGFNLTLAZGN-VWLOTQADSA-N 1 1 484.601 2.109 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164781413 721369617 /nfs/dbraw/zinc/36/96/17/721369617.db2.gz JBNOGFNLTLAZGN-VWLOTQADSA-N 1 1 484.601 2.109 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH]1 ZINC001164891931 721420369 /nfs/dbraw/zinc/42/03/69/721420369.db2.gz WRQJCIKKGIRINO-QRQCRPRQSA-N 1 1 462.982 2.163 20 0 JEADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)no1 ZINC001164892176 721432460 /nfs/dbraw/zinc/43/24/60/721432460.db2.gz HNQWXUNFEQLBSL-DVECYGJZSA-N 1 1 454.575 2.396 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)C1 ZINC001164894260 721435908 /nfs/dbraw/zinc/43/59/08/721435908.db2.gz LFUYGXFDEHBXDB-XLGIIRLISA-N 1 1 486.661 2.022 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164888728 721437382 /nfs/dbraw/zinc/43/73/82/721437382.db2.gz AOVHJJXIZOZPHW-HFMPRLQTSA-N 1 1 479.691 2.314 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)C3)O2)CC1 ZINC001164896188 721442025 /nfs/dbraw/zinc/44/20/25/721442025.db2.gz QXSYQMDODUTICP-QPPBQGQZSA-N 1 1 477.675 2.022 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164787131 721465245 /nfs/dbraw/zinc/46/52/45/721465245.db2.gz CNUDBJYVUNBOII-HXUWFJFHSA-N 1 1 471.602 2.489 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164788812 721467523 /nfs/dbraw/zinc/46/75/23/721467523.db2.gz LIIHUFBFOLAXRV-HXUWFJFHSA-N 1 1 466.648 2.114 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164787962 721468821 /nfs/dbraw/zinc/46/88/21/721468821.db2.gz GZVDLKOUOZBWMZ-NRFANRHFSA-N 1 1 453.587 2.361 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164788864 721469225 /nfs/dbraw/zinc/46/92/25/721469225.db2.gz LWUGZKLEOCURHK-JOCHJYFZSA-N 1 1 487.645 2.119 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164787328 721469609 /nfs/dbraw/zinc/46/96/09/721469609.db2.gz DWJRISQVGLWRRM-LJQANCHMSA-N 1 1 464.632 2.476 20 0 JEADMO COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001164796286 721503266 /nfs/dbraw/zinc/50/32/66/721503266.db2.gz RDGNTYHLWHVXLV-UHFFFAOYSA-N 1 1 475.601 2.373 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C(=O)OCC ZINC001164801372 721541523 /nfs/dbraw/zinc/54/15/23/721541523.db2.gz FDAMPQSTCNGNBO-DYXWJJEUSA-N 1 1 469.542 2.093 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C(=O)OCC ZINC001164801372 721541526 /nfs/dbraw/zinc/54/15/26/721541526.db2.gz FDAMPQSTCNGNBO-DYXWJJEUSA-N 1 1 469.542 2.093 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)CC1 ZINC001164804640 721568309 /nfs/dbraw/zinc/56/83/09/721568309.db2.gz LCZOXYBSNZTUKR-GIWBLDEGSA-N 1 1 466.586 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)CC1 ZINC001164804640 721568312 /nfs/dbraw/zinc/56/83/12/721568312.db2.gz LCZOXYBSNZTUKR-GIWBLDEGSA-N 1 1 466.586 2.129 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810484 721571336 /nfs/dbraw/zinc/57/13/36/721571336.db2.gz YMDOJHDPBYBXBF-IRFCIJBXSA-N 1 1 450.543 2.408 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164810484 721571338 /nfs/dbraw/zinc/57/13/38/721571338.db2.gz YMDOJHDPBYBXBF-IRFCIJBXSA-N 1 1 450.543 2.408 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164810488 721571625 /nfs/dbraw/zinc/57/16/25/721571625.db2.gz YMDOJHDPBYBXBF-ZJOUEHCJSA-N 1 1 450.543 2.408 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164810488 721571627 /nfs/dbraw/zinc/57/16/27/721571627.db2.gz YMDOJHDPBYBXBF-ZJOUEHCJSA-N 1 1 450.543 2.408 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806919 721577523 /nfs/dbraw/zinc/57/75/23/721577523.db2.gz NQGXKPMIWCIOKF-FUPPJEDESA-N 1 1 459.616 2.375 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806919 721577528 /nfs/dbraw/zinc/57/75/28/721577528.db2.gz NQGXKPMIWCIOKF-FUPPJEDESA-N 1 1 459.616 2.375 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2C1 ZINC001164806222 721579319 /nfs/dbraw/zinc/57/93/19/721579319.db2.gz MKQMGOOXCSWPKJ-QNWVGRARSA-N 1 1 452.559 2.254 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2C1 ZINC001164806222 721579323 /nfs/dbraw/zinc/57/93/23/721579323.db2.gz MKQMGOOXCSWPKJ-QNWVGRARSA-N 1 1 452.559 2.254 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809540 721581043 /nfs/dbraw/zinc/58/10/43/721581043.db2.gz TUDNGNOFILULRZ-TUNNFDKTSA-N 1 1 464.570 2.175 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2C1 ZINC001164806875 721591439 /nfs/dbraw/zinc/59/14/39/721591439.db2.gz NKXZKWOMBBHVBZ-UWSZBUKDSA-N 1 1 451.571 2.408 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2C1 ZINC001164806875 721591440 /nfs/dbraw/zinc/59/14/40/721591440.db2.gz NKXZKWOMBBHVBZ-UWSZBUKDSA-N 1 1 451.571 2.408 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@@]4(CN(c5ccsc5)C(=O)CO4)C3)c2)CC1 ZINC001164797266 721594484 /nfs/dbraw/zinc/59/44/84/721594484.db2.gz FVJBYSFOORNHCO-QHCPKHFHSA-N 1 1 458.584 2.255 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)[C@@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1 ZINC001164801336 721605406 /nfs/dbraw/zinc/60/54/06/721605406.db2.gz QEHZENYMLYROPB-AFXVXQJMSA-N 1 1 490.670 2.117 20 0 JEADMO C[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009813 721691729 /nfs/dbraw/zinc/69/17/29/721691729.db2.gz RAAYUKPIMTYKOU-LJFZDNNRSA-N 1 1 451.575 2.026 20 0 JEADMO FC1(F)CCN(c2nc(Cl)nc(N3CCOCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903769 721692612 /nfs/dbraw/zinc/69/26/12/721692612.db2.gz CGDYJJUAJXBWHI-HXUWFJFHSA-N 1 1 465.936 2.494 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCOCC1 ZINC001164905499 721715285 /nfs/dbraw/zinc/71/52/85/721715285.db2.gz GYLZPADHDWBGIM-JOCHJYFZSA-N 1 1 493.580 2.235 20 0 JEADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)nc1 ZINC001165012585 721751418 /nfs/dbraw/zinc/75/14/18/721751418.db2.gz FEHWRWYLMRFXIP-NRFANRHFSA-N 1 1 490.612 2.259 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914557 721783140 /nfs/dbraw/zinc/78/31/40/721783140.db2.gz DYEXQRUYJCARKW-AREMUKBSSA-N 1 1 494.596 2.481 20 0 JEADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914045 721791080 /nfs/dbraw/zinc/79/10/80/721791080.db2.gz AFNFQOBJUFEZJM-YQRKEEQESA-N 1 1 463.538 2.252 20 0 JEADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914045 721791082 /nfs/dbraw/zinc/79/10/82/721791082.db2.gz AFNFQOBJUFEZJM-YQRKEEQESA-N 1 1 463.538 2.252 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165024666 721791368 /nfs/dbraw/zinc/79/13/68/721791368.db2.gz SMIGLIMGVQYSHZ-QKNQBKEWSA-N 1 1 492.624 2.375 20 0 JEADMO Cc1nc(CN2CCOC[C@]3(CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CCO3)C2)cs1 ZINC001164924575 721833916 /nfs/dbraw/zinc/83/39/16/721833916.db2.gz NHTQPTNIMWUHKQ-XMMPIXPASA-N 1 1 473.643 2.427 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5c(ncn5C)c(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164940859 721923866 /nfs/dbraw/zinc/92/38/66/721923866.db2.gz VGIOGVIJOYNWOS-UHFFFAOYSA-N 1 1 477.613 2.380 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CCN(S(=O)(=O)N(C)C)C[C@H]4C3)c2c1C ZINC001164951273 721989728 /nfs/dbraw/zinc/98/97/28/721989728.db2.gz LRJJHTYJQFMWNP-ZWKOTPCHSA-N 1 1 478.688 2.468 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CCn5cccc5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165052447 721991685 /nfs/dbraw/zinc/99/16/85/721991685.db2.gz YVWSPUVJEIDAGJ-UHFFFAOYSA-N 1 1 453.616 2.097 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@@H]23)cn1 ZINC001164961972 722031128 /nfs/dbraw/zinc/03/11/28/722031128.db2.gz WOUQWFQFVPDURQ-FBLLAGFSSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]23)cn1 ZINC001164961972 722031130 /nfs/dbraw/zinc/03/11/30/722031130.db2.gz WOUQWFQFVPDURQ-FBLLAGFSSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@H]32)cn1 ZINC001164958636 722031553 /nfs/dbraw/zinc/03/15/53/722031553.db2.gz PBRFFFDZYOKNLC-AQNXPRMDSA-N 1 1 458.994 2.336 20 0 JEADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2)C1=O ZINC001164962432 722060224 /nfs/dbraw/zinc/06/02/24/722060224.db2.gz RWNNVTBFRLRTNJ-UHFFFAOYSA-N 1 1 478.597 2.426 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164969318 722079498 /nfs/dbraw/zinc/07/94/98/722079498.db2.gz IYGHJDBKUBYRPV-RUZDIDTESA-N 1 1 482.654 2.483 20 0 JEADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CCO2 ZINC001164968817 722083816 /nfs/dbraw/zinc/08/38/16/722083816.db2.gz HQFKBYDSACLILP-RXFWQSSRSA-N 1 1 487.645 2.098 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCCCC1 ZINC001164974253 722141039 /nfs/dbraw/zinc/14/10/39/722141039.db2.gz CWZPQPUVUQTXEH-FYYLOGMGSA-N 1 1 471.627 2.379 20 0 JEADMO O=C(c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164972628 722143959 /nfs/dbraw/zinc/14/39/59/722143959.db2.gz AEWZWNZKOUKBMP-UGKGYDQZSA-N 1 1 471.989 2.330 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1C ZINC001164998167 722229174 /nfs/dbraw/zinc/22/91/74/722229174.db2.gz YZQCOJUYWCCAOK-UHFFFAOYSA-N 1 1 467.599 2.323 20 0 JEADMO COC(=O)C[C@@H](c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1)C1CC1 ZINC001165001599 722237013 /nfs/dbraw/zinc/23/70/13/722237013.db2.gz JZDFWELHCOFIOZ-OAQYLSRUSA-N 1 1 450.587 2.285 20 0 JEADMO COc1ccc(Cn2cc3[nH]c(N4CCc5ncnc(N6CC[NH+](C)CC6)c5CC4)ccc-3c2=O)cc1 ZINC001165002235 722237280 /nfs/dbraw/zinc/23/72/80/722237280.db2.gz RQOLWTYXTOTAFZ-UHFFFAOYSA-N 1 1 499.619 2.393 20 0 JEADMO COc1ccc(CN(C)c2ccnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n2)cc1 ZINC001165002186 722239034 /nfs/dbraw/zinc/23/90/34/722239034.db2.gz QIPTUCUWMYGJEP-UHFFFAOYSA-N 1 1 474.613 2.269 20 0 JEADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000058172945 195371074 /nfs/dbraw/zinc/37/10/74/195371074.db2.gz UJOUUPFEDJLXJK-NRFANRHFSA-N 1 1 456.568 2.042 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCO[C@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164416972 718891226 /nfs/dbraw/zinc/89/12/26/718891226.db2.gz GRBDPJLDGVVPIJ-INIZCTEOSA-N 1 1 458.364 2.217 20 0 JEADMO C[N@@H+](Cc1ccc(N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)nc1)C1CC1 ZINC001164430439 718956494 /nfs/dbraw/zinc/95/64/94/718956494.db2.gz VFIUOWUAYZEWCI-CUNXSJBXSA-N 1 1 491.640 2.048 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664909 719356590 /nfs/dbraw/zinc/35/65/90/719356590.db2.gz RZJIKHNNKHRPNK-OAQYLSRUSA-N 1 1 495.962 2.358 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)c21 ZINC001164685489 719695804 /nfs/dbraw/zinc/69/58/04/719695804.db2.gz KOZBXCHVSZQFCW-UHFFFAOYSA-N 1 1 450.543 2.240 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)CC2 ZINC001164682365 719706458 /nfs/dbraw/zinc/70/64/58/719706458.db2.gz DLCQKPZIEARMJQ-UHFFFAOYSA-N 1 1 482.610 2.158 20 0 JEADMO COCCNC(=O)[C@H]1Cn2nccc2CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC001164695389 719829127 /nfs/dbraw/zinc/82/91/27/719829127.db2.gz CFOJQENAUXKANT-GOSISDBHSA-N 1 1 483.642 2.499 20 0 JEADMO COC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)Cc2cn(C)nc21 ZINC001164695380 719832258 /nfs/dbraw/zinc/83/22/58/719832258.db2.gz MFEZWZJZKPYPPN-MJGOQNOKSA-N 1 1 470.618 2.364 20 0 JEADMO COC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)Cc2cn(C)nc21 ZINC001164695380 719832260 /nfs/dbraw/zinc/83/22/60/719832260.db2.gz MFEZWZJZKPYPPN-MJGOQNOKSA-N 1 1 470.618 2.364 20 0 JEADMO COC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c2ccccc2c1OC ZINC001164705029 719873266 /nfs/dbraw/zinc/87/32/66/719873266.db2.gz NBSGSVFJSZEMRP-FYSMJZIKSA-N 1 1 457.527 2.263 20 0 JEADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708609 719933114 /nfs/dbraw/zinc/93/31/14/719933114.db2.gz NBQAEGGMJDMYGA-NRFANRHFSA-N 1 1 451.619 2.312 20 0 JEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164703720 720048376 /nfs/dbraw/zinc/04/83/76/720048376.db2.gz LWJJJPIRBWOIDL-UHFFFAOYSA-N 1 1 485.636 2.324 20 0 JEADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164709694 720097648 /nfs/dbraw/zinc/09/76/48/720097648.db2.gz CFYRDHUOVWLLKN-QFIPXVFZSA-N 1 1 451.619 2.131 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164709694 720097657 /nfs/dbraw/zinc/09/76/57/720097657.db2.gz CFYRDHUOVWLLKN-QFIPXVFZSA-N 1 1 451.619 2.131 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164714212 720120804 /nfs/dbraw/zinc/12/08/04/720120804.db2.gz ASPPMKXEKKJHOF-LEWJYISDSA-N 1 1 477.613 2.324 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nn2)CC1 ZINC001164809701 720140720 /nfs/dbraw/zinc/14/07/20/720140720.db2.gz IJBVXNUPDQPSKC-BWKNWUBXSA-N 1 1 457.619 2.441 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164712190 720142163 /nfs/dbraw/zinc/14/21/63/720142163.db2.gz KUICMPKFFARWHC-OAQYLSRUSA-N 1 1 471.627 2.425 20 0 JEADMO CCOC(=O)c1cnc2cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)[nH]cc1-2 ZINC001164716679 720195501 /nfs/dbraw/zinc/19/55/01/720195501.db2.gz RIHCETYPNFWUNK-HXUWFJFHSA-N 1 1 453.547 2.084 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CCC2 ZINC001164813363 720232002 /nfs/dbraw/zinc/23/20/02/720232002.db2.gz NKUYABUQNZUZDA-UHFFFAOYSA-N 1 1 454.909 2.186 20 0 JEADMO CCOC(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C(=O)OCC ZINC001164817824 720247177 /nfs/dbraw/zinc/24/71/77/720247177.db2.gz URXKZYLZESUSQR-UHFFFAOYSA-N 1 1 471.558 2.242 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1C ZINC001164723833 720282994 /nfs/dbraw/zinc/28/29/94/720282994.db2.gz YEKFJXVTXGRAFO-QHCPKHFHSA-N 1 1 475.615 2.150 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1C ZINC001164723833 720282999 /nfs/dbraw/zinc/28/29/99/720282999.db2.gz YEKFJXVTXGRAFO-QHCPKHFHSA-N 1 1 475.615 2.150 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164721838 720320528 /nfs/dbraw/zinc/32/05/28/720320528.db2.gz IBGWNAZJPAQDQD-TUACAJSNSA-N 1 1 465.598 2.266 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164721838 720320534 /nfs/dbraw/zinc/32/05/34/720320534.db2.gz IBGWNAZJPAQDQD-TUACAJSNSA-N 1 1 465.598 2.266 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCOC[C@@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)n2)CC1 ZINC001164724833 720496536 /nfs/dbraw/zinc/49/65/36/720496536.db2.gz IFSDRAQWOIKRSR-YADARESESA-N 1 1 456.566 2.092 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCOC[C@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)n2)CC1 ZINC001164724830 720496824 /nfs/dbraw/zinc/49/68/24/720496824.db2.gz IFSDRAQWOIKRSR-DVECYGJZSA-N 1 1 456.566 2.092 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001164833571 720570792 /nfs/dbraw/zinc/57/07/92/720570792.db2.gz AHDWKJNOWKWEHG-BHDDXSALSA-N 1 1 467.618 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@@H]21 ZINC001164835507 720573507 /nfs/dbraw/zinc/57/35/07/720573507.db2.gz HPNNUPIFVUBALO-ACRUOGEOSA-N 1 1 458.632 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@@H]21 ZINC001164842255 720604795 /nfs/dbraw/zinc/60/47/95/720604795.db2.gz VDCWXABAEOIHJK-ONTIZHBOSA-N 1 1 458.632 2.440 20 0 JEADMO Cc1cc2c(ncnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164746258 720652324 /nfs/dbraw/zinc/65/23/24/720652324.db2.gz WKFNCVUCHNWURY-RTBURBONSA-N 1 1 491.577 2.109 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743204 720694802 /nfs/dbraw/zinc/69/48/02/720694802.db2.gz WYUPXGPUWWTNKO-QWHCGFSZSA-N 1 1 450.952 2.161 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164736763 720696031 /nfs/dbraw/zinc/69/60/31/720696031.db2.gz BAKOLUREFXJFJJ-IRFCIJBXSA-N 1 1 478.601 2.113 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCc4nc(C(=O)NCc5ccccc5)sc4CC3)n2)CC1 ZINC001164843501 720746664 /nfs/dbraw/zinc/74/66/64/720746664.db2.gz LSKMBKIXIVLEPJ-UHFFFAOYSA-N 1 1 463.611 2.220 20 0 JEADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2[nH]cnc21 ZINC001164739920 720752987 /nfs/dbraw/zinc/75/29/87/720752987.db2.gz JTIJAIBLQGFUCS-HUUCEWRRSA-N 1 1 452.519 2.437 20 0 JEADMO c1ncc(O[C@H]2C[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164739943 720763237 /nfs/dbraw/zinc/76/32/37/720763237.db2.gz KASOSBKVZRBQMV-MSOLQXFVSA-N 1 1 493.637 2.144 20 0 JEADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164740677 720812017 /nfs/dbraw/zinc/81/20/17/720812017.db2.gz ABNZJOCSJBGVQG-HLLBOEOZSA-N 1 1 465.936 2.350 20 0 JEADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164740681 720812183 /nfs/dbraw/zinc/81/21/83/720812183.db2.gz ABNZJOCSJBGVQG-ZMSDIMECSA-N 1 1 465.936 2.350 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc-2n1 ZINC001164743329 720826957 /nfs/dbraw/zinc/82/69/57/720826957.db2.gz SGFJZNDWLMAXQE-XGHQBKJUSA-N 1 1 465.558 2.329 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c21 ZINC001164847686 720832949 /nfs/dbraw/zinc/83/29/49/720832949.db2.gz KGBGOFKNUXTXRI-IEBWSBKVSA-N 1 1 453.543 2.233 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164743681 720836274 /nfs/dbraw/zinc/83/62/74/720836274.db2.gz JRQUYZYAZNUMGX-HDMKZQKVSA-N 1 1 470.965 2.369 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1C ZINC001164747378 720844244 /nfs/dbraw/zinc/84/42/44/720844244.db2.gz QKSYMQXNPTZCOC-JFIYKMOQSA-N 1 1 484.992 2.379 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751820 720844304 /nfs/dbraw/zinc/84/43/04/720844304.db2.gz YYOUZEFLQLFOAE-YQQAZPJKSA-N 1 1 470.965 2.369 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)C1 ZINC001164748007 720848526 /nfs/dbraw/zinc/84/85/26/720848526.db2.gz SCWUATLCMZMIOK-SSGKUCQKSA-N 1 1 494.644 2.227 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCOCC1 ZINC001164748393 720849517 /nfs/dbraw/zinc/84/95/17/720849517.db2.gz UQOJTQXWISPZSN-TUNNFDKTSA-N 1 1 486.020 2.178 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCOCC1 ZINC001164748392 720849714 /nfs/dbraw/zinc/84/97/14/720849714.db2.gz UQOJTQXWISPZSN-RZUBCFFCSA-N 1 1 486.020 2.178 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)CC[C@H]2C1 ZINC001164852616 720854237 /nfs/dbraw/zinc/85/42/37/720854237.db2.gz DUKFXTNTYWMFML-GVDBMIGSSA-N 1 1 450.971 2.352 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164851558 720854641 /nfs/dbraw/zinc/85/46/41/720854641.db2.gz AYNYXJRDTXTPCN-DUXKGJEZSA-N 1 1 458.607 2.130 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747675 720860662 /nfs/dbraw/zinc/86/06/62/720860662.db2.gz JACLCJBTTZLIKV-NRSFXHEJSA-N 1 1 459.982 2.377 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753974 720861211 /nfs/dbraw/zinc/86/12/11/720861211.db2.gz ZJFHIAFAUSGSQL-ZHALLVOQSA-N 1 1 458.998 2.241 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C(=O)OCC ZINC001164751174 720861385 /nfs/dbraw/zinc/86/13/85/720861385.db2.gz QMXXHYOIOXUYCK-IRFCIJBXSA-N 1 1 482.585 2.406 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC[C@H]2C1 ZINC001164854052 720863154 /nfs/dbraw/zinc/86/31/54/720863154.db2.gz INGLVINHAOWWEU-SIKLNZKXSA-N 1 1 453.591 2.097 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164862396 720867819 /nfs/dbraw/zinc/86/78/19/720867819.db2.gz ZYSOBBHBBRAUEW-TXJPBUDTSA-N 1 1 474.602 2.426 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164862388 720867841 /nfs/dbraw/zinc/86/78/41/720867841.db2.gz ZYSOBBHBBRAUEW-PVTIJVJISA-N 1 1 474.602 2.426 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC[C@@H]2C1 ZINC001164856625 720873037 /nfs/dbraw/zinc/87/30/37/720873037.db2.gz IPSLFMLLCHAYQK-HYBUGGRVSA-N 1 1 466.582 2.420 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754955 720873123 /nfs/dbraw/zinc/87/31/23/720873123.db2.gz UVDBNQCNAKNQHX-SQHAQQRYSA-N 1 1 477.657 2.379 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754955 720873126 /nfs/dbraw/zinc/87/31/26/720873126.db2.gz UVDBNQCNAKNQHX-SQHAQQRYSA-N 1 1 477.657 2.379 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754954 720873470 /nfs/dbraw/zinc/87/34/70/720873470.db2.gz UVDBNQCNAKNQHX-SHQCIBLASA-N 1 1 477.657 2.379 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)CC1 ZINC001164754954 720873476 /nfs/dbraw/zinc/87/34/76/720873476.db2.gz UVDBNQCNAKNQHX-SHQCIBLASA-N 1 1 477.657 2.379 20 0 JEADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)ncn2)C3)c1 ZINC001164752236 720874260 /nfs/dbraw/zinc/87/42/60/720874260.db2.gz MFFGBLXSUWSMMD-OZXSUGGESA-N 1 1 464.614 2.463 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164855376 720875967 /nfs/dbraw/zinc/87/59/67/720875967.db2.gz HBTMJAGONQRXGG-VQTJNVASSA-N 1 1 475.659 2.314 20 0 JEADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cnc1Cl ZINC001164860988 720892895 /nfs/dbraw/zinc/89/28/95/720892895.db2.gz WSKDSXRUCSWACT-ZBFHGGJFSA-N 1 1 467.966 2.247 20 0 JEADMO O=c1cc(Cn2ccnc2)nc2n1CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164860105 720895333 /nfs/dbraw/zinc/89/53/33/720895333.db2.gz SIKXOBFABPJPQM-UHFFFAOYSA-N 1 1 468.565 2.247 20 0 JEADMO O=c1cc(Cn2ccnc2)nc2n1CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164860105 720895334 /nfs/dbraw/zinc/89/53/34/720895334.db2.gz SIKXOBFABPJPQM-UHFFFAOYSA-N 1 1 468.565 2.247 20 0 JEADMO CCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164750134 720923604 /nfs/dbraw/zinc/92/36/04/720923604.db2.gz JJQQCPWFDLBHTB-BWKNWUBXSA-N 1 1 450.587 2.376 20 0 JEADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164746481 720925127 /nfs/dbraw/zinc/92/51/27/720925127.db2.gz AWAQXLNBXLDFCC-KHVXQDHOSA-N 1 1 491.640 2.081 20 0 JEADMO COC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1OC ZINC001164754253 720937713 /nfs/dbraw/zinc/93/77/13/720937713.db2.gz VOFWRWAJMHNNAO-NLFFAJNJSA-N 1 1 467.570 2.422 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858120 720984193 /nfs/dbraw/zinc/98/41/93/720984193.db2.gz HDNHHRVVNKHNOL-KRWDZBQOSA-N 1 1 457.579 2.108 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@H](C(=O)NCc5ccccn5)[C@H]4C3)c2)CC1 ZINC001164757634 721022624 /nfs/dbraw/zinc/02/26/24/721022624.db2.gz FHSQOJUBGDLZTI-VXNXHJTFSA-N 1 1 465.598 2.497 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@@H](C(=O)NCc5ccccn5)[C@H]4C3)c2)CC1 ZINC001164757633 721022667 /nfs/dbraw/zinc/02/26/67/721022667.db2.gz FHSQOJUBGDLZTI-SMIHKQSGSA-N 1 1 465.598 2.497 20 0 JEADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164861499 721035174 /nfs/dbraw/zinc/03/51/74/721035174.db2.gz IDXLTGKPIGRRQT-MUUNZHRXSA-N 1 1 497.603 2.274 20 0 JEADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164861499 721035178 /nfs/dbraw/zinc/03/51/78/721035178.db2.gz IDXLTGKPIGRRQT-MUUNZHRXSA-N 1 1 497.603 2.274 20 0 JEADMO O=C1COC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)CN1c1cncnc1 ZINC001164862640 721037965 /nfs/dbraw/zinc/03/79/65/721037965.db2.gz NQCVSFDBEXTOHQ-UHFFFAOYSA-N 1 1 471.565 2.227 20 0 JEADMO O=C1COC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)CN1c1cncnc1 ZINC001164862640 721037974 /nfs/dbraw/zinc/03/79/74/721037974.db2.gz NQCVSFDBEXTOHQ-UHFFFAOYSA-N 1 1 471.565 2.227 20 0 JEADMO c1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164867088 721060337 /nfs/dbraw/zinc/06/03/37/721060337.db2.gz HSNJOEZFIKLFEO-MOPGFXCFSA-N 1 1 452.584 2.403 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164865977 721112763 /nfs/dbraw/zinc/11/27/63/721112763.db2.gz QPPLWVLKQVOCGZ-YADHBBJMSA-N 1 1 466.586 2.131 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164865919 721119694 /nfs/dbraw/zinc/11/96/94/721119694.db2.gz PTUBFUTWWSYXBL-UXHICEINSA-N 1 1 477.521 2.355 20 0 JEADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164871592 721141907 /nfs/dbraw/zinc/14/19/07/721141907.db2.gz FVJXCBKNXMAIIR-LEWJYISDSA-N 1 1 457.600 2.131 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872288 721151031 /nfs/dbraw/zinc/15/10/31/721151031.db2.gz HHRZPCDLMSWRET-CEWLAPEOSA-N 1 1 459.616 2.423 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164871650 721152265 /nfs/dbraw/zinc/15/22/65/721152265.db2.gz GCMHZNIIHLXDPW-RTWAWAEBSA-N 1 1 459.616 2.281 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871653 721152820 /nfs/dbraw/zinc/15/28/20/721152820.db2.gz GCMHZNIIHLXDPW-SFTDATJTSA-N 1 1 459.616 2.281 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869728 721164876 /nfs/dbraw/zinc/16/48/76/721164876.db2.gz AGDXNBDSAWATGF-RTWAWAEBSA-N 1 1 457.600 2.131 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164874977 721259143 /nfs/dbraw/zinc/25/91/43/721259143.db2.gz KXUACCUQSDTFOB-SQJMNOBHSA-N 1 1 450.587 2.176 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)C1 ZINC001164868998 721264179 /nfs/dbraw/zinc/26/41/79/721264179.db2.gz ISILXQLRTSYIPW-UHFFFAOYSA-N 1 1 452.333 2.335 20 0 JEADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1Cl ZINC001164869429 721266494 /nfs/dbraw/zinc/26/64/94/721266494.db2.gz OAPVHWLMUYVMNU-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccnc3C3SCCCS3)CC2)C1 ZINC001164868570 721268166 /nfs/dbraw/zinc/26/81/66/721268166.db2.gz CNXJMZJUGQXWJQ-UHFFFAOYSA-N 1 1 451.662 2.352 20 0 JEADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875913 721280675 /nfs/dbraw/zinc/28/06/75/721280675.db2.gz ZMBRIXDRICGFJG-UHFFFAOYSA-N 1 1 482.629 2.023 20 0 JEADMO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)c(OC)c1OC ZINC001164875932 721290007 /nfs/dbraw/zinc/29/00/07/721290007.db2.gz IBYUVOSNGXZAMG-UHFFFAOYSA-N 1 1 499.612 2.176 20 0 JEADMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880599 721321531 /nfs/dbraw/zinc/32/15/31/721321531.db2.gz YOVXDXLHEMVAJP-BUUDZMLXSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880599 721321539 /nfs/dbraw/zinc/32/15/39/721321539.db2.gz YOVXDXLHEMVAJP-BUUDZMLXSA-N 1 1 485.592 2.239 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001164785061 721366214 /nfs/dbraw/zinc/36/62/14/721366214.db2.gz RVCRUEZTYUTXTP-QHCPKHFHSA-N 1 1 475.615 2.246 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC4CC4)cn3)C2)C1 ZINC001164785061 721366216 /nfs/dbraw/zinc/36/62/16/721366216.db2.gz RVCRUEZTYUTXTP-QHCPKHFHSA-N 1 1 475.615 2.246 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)C3)O2)CC1 ZINC001164889759 721391232 /nfs/dbraw/zinc/39/12/32/721391232.db2.gz MFBYDQDBEIUDPR-CYFREDJKSA-N 1 1 472.659 2.293 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)C3)O2)CC1 ZINC001164889765 721391297 /nfs/dbraw/zinc/39/12/97/721391297.db2.gz MFBYDQDBEIUDPR-NTKDMRAZSA-N 1 1 472.659 2.293 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCOCC4)C3)O2)CC1 ZINC001164886095 721409662 /nfs/dbraw/zinc/40/96/62/721409662.db2.gz HUDABXLMVKFDSQ-RLWLMLJZSA-N 1 1 466.630 2.232 20 0 JEADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)no1 ZINC001164892174 721432531 /nfs/dbraw/zinc/43/25/31/721432531.db2.gz HNQWXUNFEQLBSL-CYFREDJKSA-N 1 1 454.575 2.396 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1C(=O)OCC ZINC001164887328 721452819 /nfs/dbraw/zinc/45/28/19/721452819.db2.gz JRNAWPGHTQYDAW-CLOONOSVSA-N 1 1 474.602 2.200 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164789401 721453293 /nfs/dbraw/zinc/45/32/93/721453293.db2.gz VIYYKHCWBRYJKU-SFHVURJKSA-N 1 1 457.575 2.430 20 0 JEADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164789401 721453296 /nfs/dbraw/zinc/45/32/96/721453296.db2.gz VIYYKHCWBRYJKU-SFHVURJKSA-N 1 1 457.575 2.430 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164789401 721453298 /nfs/dbraw/zinc/45/32/98/721453298.db2.gz VIYYKHCWBRYJKU-SFHVURJKSA-N 1 1 457.575 2.430 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164783298 721460428 /nfs/dbraw/zinc/46/04/28/721460428.db2.gz DDJHNBAYWDBEGL-RTWAWAEBSA-N 1 1 484.645 2.156 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164785671 721462469 /nfs/dbraw/zinc/46/24/69/721462469.db2.gz MLCPCUOHFSTSHV-HXUWFJFHSA-N 1 1 466.648 2.114 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164791318 721466770 /nfs/dbraw/zinc/46/67/70/721466770.db2.gz WZIMAQKXNLHYIM-FQEVSTJZSA-N 1 1 466.648 2.066 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C(=O)OCC ZINC001164801374 721541948 /nfs/dbraw/zinc/54/19/48/721541948.db2.gz FDAMPQSTCNGNBO-IRFCIJBXSA-N 1 1 469.542 2.093 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C(=O)OCC ZINC001164801374 721541951 /nfs/dbraw/zinc/54/19/51/721541951.db2.gz FDAMPQSTCNGNBO-IRFCIJBXSA-N 1 1 469.542 2.093 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801618 721567187 /nfs/dbraw/zinc/56/71/87/721567187.db2.gz GYHSEUACWYSTSC-VWPQPMDRSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801618 721567189 /nfs/dbraw/zinc/56/71/89/721567189.db2.gz GYHSEUACWYSTSC-VWPQPMDRSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801614 721567613 /nfs/dbraw/zinc/56/76/13/721567613.db2.gz GYHSEUACWYSTSC-TUNNFDKTSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801614 721567616 /nfs/dbraw/zinc/56/76/16/721567616.db2.gz GYHSEUACWYSTSC-TUNNFDKTSA-N 1 1 457.600 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164804632 721568223 /nfs/dbraw/zinc/56/82/23/721568223.db2.gz LCZOXYBSNZTUKR-FUDKSRODSA-N 1 1 466.586 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164804632 721568226 /nfs/dbraw/zinc/56/82/26/721568226.db2.gz LCZOXYBSNZTUKR-FUDKSRODSA-N 1 1 466.586 2.129 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164810486 721571595 /nfs/dbraw/zinc/57/15/95/721571595.db2.gz YMDOJHDPBYBXBF-SVFBPWRDSA-N 1 1 450.543 2.408 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164810486 721571598 /nfs/dbraw/zinc/57/15/98/721571598.db2.gz YMDOJHDPBYBXBF-SVFBPWRDSA-N 1 1 450.543 2.408 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807984 721571766 /nfs/dbraw/zinc/57/17/66/721571766.db2.gz UFTCNNGPMNUCOQ-KURKYZTESA-N 1 1 487.960 2.191 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807984 721571768 /nfs/dbraw/zinc/57/17/68/721571768.db2.gz UFTCNNGPMNUCOQ-KURKYZTESA-N 1 1 487.960 2.191 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804730 721575954 /nfs/dbraw/zinc/57/59/54/721575954.db2.gz MOXOJFYVEOOSEL-VSKRKVRLSA-N 1 1 464.618 2.335 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164804730 721575956 /nfs/dbraw/zinc/57/59/56/721575956.db2.gz MOXOJFYVEOOSEL-VSKRKVRLSA-N 1 1 464.618 2.335 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2C1 ZINC001164806220 721578923 /nfs/dbraw/zinc/57/89/23/721578923.db2.gz MKQMGOOXCSWPKJ-GIWBLDEGSA-N 1 1 452.559 2.254 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc2C1 ZINC001164806220 721578927 /nfs/dbraw/zinc/57/89/27/721578927.db2.gz MKQMGOOXCSWPKJ-GIWBLDEGSA-N 1 1 452.559 2.254 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809538 721580957 /nfs/dbraw/zinc/58/09/57/721580957.db2.gz TUDNGNOFILULRZ-SJBKTWHCSA-N 1 1 464.570 2.175 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3Cc4nccn4C[C@@H](COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164902797 721582427 /nfs/dbraw/zinc/58/24/27/721582427.db2.gz HSIGTQOFFIPWHL-HXUWFJFHSA-N 1 1 468.602 2.027 20 0 JEADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165007830 721730328 /nfs/dbraw/zinc/73/03/28/721730328.db2.gz IDPGJPQUSAXHNY-UHFFFAOYSA-N 1 1 459.925 2.375 20 0 JEADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001165008428 721733266 /nfs/dbraw/zinc/73/32/66/721733266.db2.gz NWNNSFXFNFFUEQ-UHFFFAOYSA-N 1 1 472.968 2.035 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H]21 ZINC001165018630 721804753 /nfs/dbraw/zinc/80/47/53/721804753.db2.gz BRKHXEOKGZQKSB-GMKZXUHWSA-N 1 1 493.656 2.282 20 0 JEADMO Cn1cnc2c1nc(N1C[C@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C1)nc2N1CCOCC1 ZINC001165023289 721807239 /nfs/dbraw/zinc/80/72/39/721807239.db2.gz JANNSEKGSGPEGT-HMXCVIKNSA-N 1 1 462.602 2.332 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCOCC3)C[C@H]21 ZINC001165018994 721818424 /nfs/dbraw/zinc/81/84/24/721818424.db2.gz BIWFWEICGWUCBH-CEMLEFRQSA-N 1 1 471.627 2.234 20 0 JEADMO COCCN1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164919699 721842368 /nfs/dbraw/zinc/84/23/68/721842368.db2.gz CLGIWXUOSZKZMC-VWNXMTODSA-N 1 1 450.583 2.340 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921394 721866962 /nfs/dbraw/zinc/86/69/62/721866962.db2.gz CLJRILTUOPNVLU-SFTDATJTSA-N 1 1 497.621 2.275 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921394 721866965 /nfs/dbraw/zinc/86/69/65/721866965.db2.gz CLJRILTUOPNVLU-SFTDATJTSA-N 1 1 497.621 2.275 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921392 721867209 /nfs/dbraw/zinc/86/72/09/721867209.db2.gz CLJRILTUOPNVLU-NHCUHLMSSA-N 1 1 497.621 2.275 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921392 721867210 /nfs/dbraw/zinc/86/72/10/721867210.db2.gz CLJRILTUOPNVLU-NHCUHLMSSA-N 1 1 497.621 2.275 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929256 721879799 /nfs/dbraw/zinc/87/97/99/721879799.db2.gz AXTHIENHZVKESW-MOPGFXCFSA-N 1 1 456.660 2.227 20 0 JEADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929256 721879800 /nfs/dbraw/zinc/87/98/00/721879800.db2.gz AXTHIENHZVKESW-MOPGFXCFSA-N 1 1 456.660 2.227 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC001165038212 721916071 /nfs/dbraw/zinc/91/60/71/721916071.db2.gz LSRYHUFWBIQILJ-JTSKRJEESA-N 1 1 466.989 2.318 20 0 JEADMO O=C(CO[C@H]1CO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939132 721917524 /nfs/dbraw/zinc/91/75/24/721917524.db2.gz SEZYAIIRMVTSIS-AJTFRIOCSA-N 1 1 477.609 2.412 20 0 JEADMO O=C(CO[C@H]1CO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939132 721917525 /nfs/dbraw/zinc/91/75/25/721917525.db2.gz SEZYAIIRMVTSIS-AJTFRIOCSA-N 1 1 477.609 2.412 20 0 JEADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164946904 721987940 /nfs/dbraw/zinc/98/79/40/721987940.db2.gz BDMJPUBMKXEEJD-IFMALSPDSA-N 1 1 455.628 2.204 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]32)cn1 ZINC001164961974 722031018 /nfs/dbraw/zinc/03/10/18/722031018.db2.gz WOUQWFQFVPDURQ-RQTOMXEWSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]32)cn1 ZINC001164961974 722031021 /nfs/dbraw/zinc/03/10/21/722031021.db2.gz WOUQWFQFVPDURQ-RQTOMXEWSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2COC[C@H]12 ZINC001164961607 722036619 /nfs/dbraw/zinc/03/66/19/722036619.db2.gz LRZPCRDFNPITSA-KIFXHHALSA-N 1 1 458.566 2.007 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2COC[C@H]12 ZINC001164961607 722036622 /nfs/dbraw/zinc/03/66/22/722036622.db2.gz LRZPCRDFNPITSA-KIFXHHALSA-N 1 1 458.566 2.007 20 0 JEADMO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1)N1CCCC1 ZINC001164961658 722060051 /nfs/dbraw/zinc/06/00/51/722060051.db2.gz NRIJBPOCRJYZCH-UHFFFAOYSA-N 1 1 471.627 2.380 20 0 JEADMO c1nc2c(nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCOCC2)s1 ZINC001164975565 722108225 /nfs/dbraw/zinc/10/82/25/722108225.db2.gz JURJQRFBGWSSRT-RBUKOAKNSA-N 1 1 467.599 2.045 20 0 JEADMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972522 722139250 /nfs/dbraw/zinc/13/92/50/722139250.db2.gz AAULPEDUZKCHBD-NHCUHLMSSA-N 1 1 453.591 2.383 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164978957 722148724 /nfs/dbraw/zinc/14/87/24/722148724.db2.gz LEUVQVXLUUTJCJ-YADHBBJMSA-N 1 1 471.627 2.379 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164978955 722148737 /nfs/dbraw/zinc/14/87/37/722148737.db2.gz LEUVQVXLUUTJCJ-FGZHOGPDSA-N 1 1 471.627 2.379 20 0 JEADMO O=S(=O)(c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995128 722207628 /nfs/dbraw/zinc/20/76/28/722207628.db2.gz LFTPAEZZDRQWKC-HSZRJFAPSA-N 1 1 460.575 2.487 20 0 JEADMO O=C(c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164995806 722210336 /nfs/dbraw/zinc/21/03/36/722210336.db2.gz KTWZHVKCJXRDBL-XMMPIXPASA-N 1 1 472.586 2.336 20 0 JEADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001164996401 722235001 /nfs/dbraw/zinc/23/50/01/722235001.db2.gz GGJBBMFWEJOSLO-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO O=C(NC[C@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)c1ccnnc1 ZINC001165003344 722241432 /nfs/dbraw/zinc/24/14/32/722241432.db2.gz KCVDHHWDNZVYFM-KRWDZBQOSA-N 1 1 466.977 2.384 20 0 JEADMO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001165004293 722267989 /nfs/dbraw/zinc/26/79/89/722267989.db2.gz AGCYVYIIIILKJJ-VWLOTQADSA-N 1 1 480.592 2.139 20 0 JEADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164628623 719062843 /nfs/dbraw/zinc/06/28/43/719062843.db2.gz SVFPGHBRNWXNAD-DHIUTWEWSA-N 1 1 464.614 2.251 20 0 JEADMO O=C(c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCS(=O)(=O)CC1 ZINC001164621756 719103035 /nfs/dbraw/zinc/10/30/35/719103035.db2.gz ASKCVFYOTYVOAH-VXKWHMMOSA-N 1 1 454.596 2.053 20 0 JEADMO O=C(c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCS(=O)(=O)CC1 ZINC001164621752 719103186 /nfs/dbraw/zinc/10/31/86/719103186.db2.gz ASKCVFYOTYVOAH-FGZHOGPDSA-N 1 1 454.596 2.053 20 0 JEADMO O=C(c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCS(=O)(=O)CC1 ZINC001164621760 719103258 /nfs/dbraw/zinc/10/32/58/719103258.db2.gz ASKCVFYOTYVOAH-YADHBBJMSA-N 1 1 454.596 2.053 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)c2c1C ZINC001164642151 719279646 /nfs/dbraw/zinc/27/96/46/719279646.db2.gz XNJWNSXHOMECPL-UHFFFAOYSA-N 1 1 475.615 2.244 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)c2c1C ZINC001164642151 719279651 /nfs/dbraw/zinc/27/96/51/719279651.db2.gz XNJWNSXHOMECPL-UHFFFAOYSA-N 1 1 475.615 2.244 20 0 JEADMO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC2)C1=O ZINC001164639151 719279863 /nfs/dbraw/zinc/27/98/63/719279863.db2.gz INYRCRNPNFHWDP-UHFFFAOYSA-N 1 1 493.608 2.006 20 0 JEADMO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC2)C1=O ZINC001164639151 719279866 /nfs/dbraw/zinc/27/98/66/719279866.db2.gz INYRCRNPNFHWDP-UHFFFAOYSA-N 1 1 493.608 2.006 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689627 719739565 /nfs/dbraw/zinc/73/95/65/719739565.db2.gz JNJWEYDEGUOTND-UHFFFAOYSA-N 1 1 472.659 2.321 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690046 719739878 /nfs/dbraw/zinc/73/98/78/719739878.db2.gz QZLNSKASMNNLRF-UHFFFAOYSA-N 1 1 484.670 2.193 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704038 719855005 /nfs/dbraw/zinc/85/50/05/719855005.db2.gz QPRVAYUBJTYQBE-NYHFZMIOSA-N 1 1 462.934 2.303 20 0 JEADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(C(=O)NCC(C)C)ccc21 ZINC001164706899 719862909 /nfs/dbraw/zinc/86/29/09/719862909.db2.gz ZMRFFHBRWSYIDW-CLOONOSVSA-N 1 1 469.586 2.248 20 0 JEADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(=O)n(Cc3ccc(OC)cc3)cc-2[nH]1 ZINC001164704337 719866384 /nfs/dbraw/zinc/86/63/84/719866384.db2.gz LBHKHDUAIUSCRF-NFQMXDRXSA-N 1 1 494.592 2.479 20 0 JEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164708925 719912792 /nfs/dbraw/zinc/91/27/92/719912792.db2.gz NOQUPTZGKCWIQV-UHFFFAOYSA-N 1 1 458.010 2.015 20 0 JEADMO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164706312 719915436 /nfs/dbraw/zinc/91/54/36/719915436.db2.gz HMICZKOBYXFPAX-AKIFATBCSA-N 1 1 463.582 2.288 20 0 JEADMO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164706312 719915443 /nfs/dbraw/zinc/91/54/43/719915443.db2.gz HMICZKOBYXFPAX-AKIFATBCSA-N 1 1 463.582 2.288 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164715669 720053119 /nfs/dbraw/zinc/05/31/19/720053119.db2.gz TVRCGBMEYBAPQZ-BUUDZMLXSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164715669 720053125 /nfs/dbraw/zinc/05/31/25/720053125.db2.gz TVRCGBMEYBAPQZ-BUUDZMLXSA-N 1 1 485.592 2.239 20 0 JEADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164709737 720093166 /nfs/dbraw/zinc/09/31/66/720093166.db2.gz CRSMKSBRTLQKPO-KRWDZBQOSA-N 1 1 466.007 2.436 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164709737 720093171 /nfs/dbraw/zinc/09/31/71/720093171.db2.gz CRSMKSBRTLQKPO-KRWDZBQOSA-N 1 1 466.007 2.436 20 0 JEADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCNCC1)CC2 ZINC001164710410 720129223 /nfs/dbraw/zinc/12/92/23/720129223.db2.gz AZUNCTWEEUJUNC-JOCHJYFZSA-N 1 1 464.614 2.030 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCNCC1)CC2 ZINC001164710410 720129225 /nfs/dbraw/zinc/12/92/25/720129225.db2.gz AZUNCTWEEUJUNC-JOCHJYFZSA-N 1 1 464.614 2.030 20 0 JEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164814231 720151923 /nfs/dbraw/zinc/15/19/23/720151923.db2.gz FDPIAEYJTVDIIB-KBXCAEBGSA-N 1 1 464.966 2.112 20 0 JEADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164711346 720156073 /nfs/dbraw/zinc/15/60/73/720156073.db2.gz BBHRCMSEWKHESA-KRWDZBQOSA-N 1 1 478.018 2.362 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164711346 720156077 /nfs/dbraw/zinc/15/60/77/720156077.db2.gz BBHRCMSEWKHESA-KRWDZBQOSA-N 1 1 478.018 2.362 20 0 JEADMO CCOC(=O)c1cnc2cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH]cc1-2 ZINC001164716678 720194951 /nfs/dbraw/zinc/19/49/51/720194951.db2.gz RIHCETYPNFWUNK-FQEVSTJZSA-N 1 1 453.547 2.084 20 0 JEADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233869 /nfs/dbraw/zinc/23/38/69/720233869.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 1 1 463.626 2.305 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164812108 720238662 /nfs/dbraw/zinc/23/86/62/720238662.db2.gz BFNPYGLBXAKZGG-UHFFFAOYSA-N 1 1 476.647 2.356 20 0 JEADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719964 720257744 /nfs/dbraw/zinc/25/77/44/720257744.db2.gz QBVLEXDWJLAHQR-VWLOTQADSA-N 1 1 466.561 2.284 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)[nH]c(C)c(C)c-2n1 ZINC001164718360 720261500 /nfs/dbraw/zinc/26/15/00/720261500.db2.gz FHLDQJJWYMHPMW-XMMPIXPASA-N 1 1 457.575 2.021 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)[nH]c(C)c(C)c-2n1 ZINC001164718360 720261510 /nfs/dbraw/zinc/26/15/10/720261510.db2.gz FHLDQJJWYMHPMW-XMMPIXPASA-N 1 1 457.575 2.021 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)C2)C1 ZINC001164723834 720302534 /nfs/dbraw/zinc/30/25/34/720302534.db2.gz PJQXTSBQKCQAKX-XMMPIXPASA-N 1 1 455.559 2.251 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)C2)C1 ZINC001164723834 720302538 /nfs/dbraw/zinc/30/25/38/720302538.db2.gz PJQXTSBQKCQAKX-XMMPIXPASA-N 1 1 455.559 2.251 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C(=O)OCC ZINC001164833315 720524212 /nfs/dbraw/zinc/52/42/12/720524212.db2.gz DAHNGRKLWXHKBT-CMKODMSKSA-N 1 1 470.574 2.404 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743202 720695859 /nfs/dbraw/zinc/69/58/59/720695859.db2.gz WYUPXGPUWWTNKO-CHWSQXEVSA-N 1 1 450.952 2.161 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164836422 720721407 /nfs/dbraw/zinc/72/14/07/720721407.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 1 1 450.587 2.191 20 0 JEADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2[nH]cnc21 ZINC001164739919 720751336 /nfs/dbraw/zinc/75/13/36/720751336.db2.gz JTIJAIBLQGFUCS-GJZGRUSLSA-N 1 1 452.519 2.437 20 0 JEADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737844 720783419 /nfs/dbraw/zinc/78/34/19/720783419.db2.gz CZOLQHYCPWATQY-IRXDYDNUSA-N 1 1 488.520 2.293 20 0 JEADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751141 720810262 /nfs/dbraw/zinc/81/02/62/720810262.db2.gz WWRHOKROXTTZBL-ZIFCJYIRSA-N 1 1 457.604 2.346 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164737706 720824881 /nfs/dbraw/zinc/82/48/81/720824881.db2.gz CEUKTIZJNIPHOI-FGTMMUONSA-N 1 1 459.982 2.207 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)cc21 ZINC001164742634 720826041 /nfs/dbraw/zinc/82/60/41/720826041.db2.gz QFHRZUWHPPERTF-JXALWOEJSA-N 1 1 472.597 2.334 20 0 JEADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCOCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738768 720827121 /nfs/dbraw/zinc/82/71/21/720827121.db2.gz GJYVOCPFBFTXJL-YZUZCNPQSA-N 1 1 474.613 2.437 20 0 JEADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747780 720843602 /nfs/dbraw/zinc/84/36/02/720843602.db2.gz RPXXERUOAJHWGI-RLFYNMQTSA-N 1 1 465.936 2.350 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741846 720849758 /nfs/dbraw/zinc/84/97/58/720849758.db2.gz FQNMQCCLYNJJDQ-QZNHQXDQSA-N 1 1 487.674 2.377 20 0 JEADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750278 720859584 /nfs/dbraw/zinc/85/95/84/720859584.db2.gz PGVHKAAZOUQUFK-NCXUSEDFSA-N 1 1 459.982 2.269 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C/C(=O)OC)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164862384 720867562 /nfs/dbraw/zinc/86/75/62/720867562.db2.gz ZYSOBBHBBRAUEW-GYBSMXBJSA-N 1 1 474.602 2.426 20 0 JEADMO NC(=O)c1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755065 720895413 /nfs/dbraw/zinc/89/54/13/720895413.db2.gz KNOUPNQFASMRRO-FDDCHVKYSA-N 1 1 456.978 2.379 20 0 JEADMO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753965 720897425 /nfs/dbraw/zinc/89/74/25/720897425.db2.gz HYLAYMFSOYQHSL-XUZZJYLKSA-N 1 1 471.627 2.140 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164748556 720910811 /nfs/dbraw/zinc/91/08/11/720910811.db2.gz GWVHWRBOGUUXTM-RCZVLFRGSA-N 1 1 485.654 2.482 20 0 JEADMO COC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1OC ZINC001164754251 720938913 /nfs/dbraw/zinc/93/89/13/720938913.db2.gz VOFWRWAJMHNNAO-CPJSRVTESA-N 1 1 467.570 2.422 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164756152 720991447 /nfs/dbraw/zinc/99/14/47/720991447.db2.gz FWKBMFXATKIQHS-NWSQWKLXSA-N 1 1 450.587 2.147 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164756152 720991452 /nfs/dbraw/zinc/99/14/52/720991452.db2.gz FWKBMFXATKIQHS-NWSQWKLXSA-N 1 1 450.587 2.147 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861082 721033268 /nfs/dbraw/zinc/03/32/68/721033268.db2.gz AROBHXFFHUKINJ-HSZRJFAPSA-N 1 1 499.982 2.497 20 0 JEADMO c1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164867092 721060070 /nfs/dbraw/zinc/06/00/70/721060070.db2.gz HSNJOEZFIKLFEO-RTBURBONSA-N 1 1 452.584 2.403 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867700 721061274 /nfs/dbraw/zinc/06/12/74/721061274.db2.gz JSIAKFYJRCARBV-ZWKOTPCHSA-N 1 1 480.947 2.386 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164865974 721112213 /nfs/dbraw/zinc/11/22/13/721112213.db2.gz QPPLWVLKQVOCGZ-FCHUYYIVSA-N 1 1 466.586 2.131 20 0 JEADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164871596 721141979 /nfs/dbraw/zinc/14/19/79/721141979.db2.gz FVJXCBKNXMAIIR-RTWAWAEBSA-N 1 1 457.600 2.131 20 0 JEADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164871594 721142939 /nfs/dbraw/zinc/14/29/39/721142939.db2.gz FVJXCBKNXMAIIR-NHCUHLMSSA-N 1 1 457.600 2.131 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876986 721151193 /nfs/dbraw/zinc/15/11/93/721151193.db2.gz NJUYRESBWZSUDH-UXHICEINSA-N 1 1 459.616 2.423 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164872293 721152938 /nfs/dbraw/zinc/15/29/38/721152938.db2.gz HHRZPCDLMSWRET-SESVDKBCSA-N 1 1 459.616 2.423 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869729 721165668 /nfs/dbraw/zinc/16/56/68/721165668.db2.gz AGDXNBDSAWATGF-SFTDATJTSA-N 1 1 457.600 2.131 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C[C@H]3C2)cn1 ZINC001164770073 721201892 /nfs/dbraw/zinc/20/18/92/721201892.db2.gz MWPZTXNZECJILQ-XZOQPEGZSA-N 1 1 458.614 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164762035 721223545 /nfs/dbraw/zinc/22/35/45/721223545.db2.gz BYVSBRXAEHGCJY-GOTSBHOMSA-N 1 1 458.614 2.495 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3CC2(C(=O)N2CCCC2)C3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164873082 721238052 /nfs/dbraw/zinc/23/80/52/721238052.db2.gz PGMPQHMSCHHHLU-IXQXIYAPSA-N 1 1 469.630 2.472 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3CC2(C(=O)N2CCCC2)C3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164873082 721238056 /nfs/dbraw/zinc/23/80/56/721238056.db2.gz PGMPQHMSCHHHLU-IXQXIYAPSA-N 1 1 469.630 2.472 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3C(=O)NC3CCCCC3)CC2)C1 ZINC001164868561 721263869 /nfs/dbraw/zinc/26/38/69/721263869.db2.gz CEMGMKSBSYTCBE-UHFFFAOYSA-N 1 1 457.619 2.151 20 0 JEADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875426 721285478 /nfs/dbraw/zinc/28/54/78/721285478.db2.gz WBKVIRAGNARKDZ-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCOCC4)C3)O2)CC1 ZINC001164886083 721409562 /nfs/dbraw/zinc/40/95/62/721409562.db2.gz HUDABXLMVKFDSQ-HFZDXXHNSA-N 1 1 466.630 2.232 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC(C)=O ZINC001164893104 721425503 /nfs/dbraw/zinc/42/55/03/721425503.db2.gz JAHXNTMGKYFOJK-FNZWTVRRSA-N 1 1 497.596 2.246 20 0 JEADMO COC(=O)c1c(Cl)cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164899877 721429411 /nfs/dbraw/zinc/42/94/11/721429411.db2.gz ZLJVYYBNOXMUCT-AOMKIAJQSA-N 1 1 452.983 2.296 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1=O ZINC001164897120 721429743 /nfs/dbraw/zinc/42/97/43/721429743.db2.gz SPCHHMDLDULTDS-UZUQRXQVSA-N 1 1 463.026 2.260 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)C1 ZINC001164894255 721435864 /nfs/dbraw/zinc/43/58/64/721435864.db2.gz LFUYGXFDEHBXDB-TVZXLZGTSA-N 1 1 486.661 2.022 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164890269 721435867 /nfs/dbraw/zinc/43/58/67/721435867.db2.gz CXGNFOKZNALQNB-IFXJQAMLSA-N 1 1 455.941 2.268 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)C3)O2)CC1 ZINC001164896193 721442079 /nfs/dbraw/zinc/44/20/79/721442079.db2.gz QXSYQMDODUTICP-ZJSXRUAMSA-N 1 1 477.675 2.022 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C(=O)OCC ZINC001164893183 721452629 /nfs/dbraw/zinc/45/26/29/721452629.db2.gz YSIRTSHDDUNJJV-KBMIEXCESA-N 1 1 474.602 2.200 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)C3)O2)CC1 ZINC001164890396 721453271 /nfs/dbraw/zinc/45/32/71/721453271.db2.gz RLYGQFXOIKZSHM-FXAWDEMLSA-N 1 1 493.020 2.449 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164784499 721454895 /nfs/dbraw/zinc/45/48/95/721454895.db2.gz FTVPGDDJBDGABW-IBGZPJMESA-N 1 1 481.041 2.096 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164783243 721455882 /nfs/dbraw/zinc/45/58/82/721455882.db2.gz ARQPVAGSCGBXLO-OAQYLSRUSA-N 1 1 486.661 2.015 20 0 JEADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789485 721465025 /nfs/dbraw/zinc/46/50/25/721465025.db2.gz NFTXCADETTZFRF-TYFQNXAESA-N 1 1 494.658 2.125 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164787198 721467255 /nfs/dbraw/zinc/46/72/55/721467255.db2.gz DGEBOFQUFCMZHN-OAQYLSRUSA-N 1 1 478.659 2.256 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164787196 721467404 /nfs/dbraw/zinc/46/74/04/721467404.db2.gz DGEBOFQUFCMZHN-NRFANRHFSA-N 1 1 478.659 2.256 20 0 JEADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCO1 ZINC001164789077 721480624 /nfs/dbraw/zinc/48/06/24/721480624.db2.gz ASYXNJBIPMQDSG-JCTONOIOSA-N 1 1 463.582 2.430 20 0 JEADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCO1 ZINC001164789077 721480627 /nfs/dbraw/zinc/48/06/27/721480627.db2.gz ASYXNJBIPMQDSG-JCTONOIOSA-N 1 1 463.582 2.430 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164906780 721542226 /nfs/dbraw/zinc/54/22/26/721542226.db2.gz LHYBOTLEQZVHDI-CTNGQTDRSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164804636 721567849 /nfs/dbraw/zinc/56/78/49/721567849.db2.gz LCZOXYBSNZTUKR-FUPPJEDESA-N 1 1 466.586 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164804636 721567854 /nfs/dbraw/zinc/56/78/54/721567854.db2.gz LCZOXYBSNZTUKR-FUPPJEDESA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802565 721580708 /nfs/dbraw/zinc/58/07/08/721580708.db2.gz GIGNLYFAZCMLAL-YPAWHYETSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802565 721580711 /nfs/dbraw/zinc/58/07/11/721580711.db2.gz GIGNLYFAZCMLAL-YPAWHYETSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164810943 721585031 /nfs/dbraw/zinc/58/50/31/721585031.db2.gz WSAPDZZDOQTRFD-XPNTWCBSSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164810943 721585036 /nfs/dbraw/zinc/58/50/36/721585036.db2.gz WSAPDZZDOQTRFD-XPNTWCBSSA-N 1 1 457.600 2.129 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2C1 ZINC001164806877 721591124 /nfs/dbraw/zinc/59/11/24/721591124.db2.gz NKXZKWOMBBHVBZ-VPJOFFEXSA-N 1 1 451.571 2.408 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2C1 ZINC001164806877 721591126 /nfs/dbraw/zinc/59/11/26/721591126.db2.gz NKXZKWOMBBHVBZ-VPJOFFEXSA-N 1 1 451.571 2.408 20 0 JEADMO FC1(F)CCN(c2nc(Cl)nc(N3CCOCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903768 721692850 /nfs/dbraw/zinc/69/28/50/721692850.db2.gz CGDYJJUAJXBWHI-FQEVSTJZSA-N 1 1 465.936 2.494 20 0 JEADMO Cn1cnc2c1nc(N1CCc3c(C[N@H+](C)Cc4ccco4)cncc3C1)nc2N1CCOCC1 ZINC001164909378 721751442 /nfs/dbraw/zinc/75/14/42/721751442.db2.gz QFYQZSJLAQUHCD-UHFFFAOYSA-N 1 1 474.569 2.383 20 0 JEADMO Cn1cnc2c1nc(N1CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C1)nc2N1CCOCC1 ZINC001164909378 721751446 /nfs/dbraw/zinc/75/14/46/721751446.db2.gz QFYQZSJLAQUHCD-UHFFFAOYSA-N 1 1 474.569 2.383 20 0 JEADMO CCOC(=O)c1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164916045 721789159 /nfs/dbraw/zinc/78/91/59/721789159.db2.gz OILUBCCGWXTVAM-QHCPKHFHSA-N 1 1 469.567 2.371 20 0 JEADMO CCOC(=O)c1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164916045 721789164 /nfs/dbraw/zinc/78/91/64/721789164.db2.gz OILUBCCGWXTVAM-QHCPKHFHSA-N 1 1 469.567 2.371 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c2)CC1 ZINC001164914342 721799073 /nfs/dbraw/zinc/79/90/73/721799073.db2.gz MALFHSNGRKDXST-RUZDIDTESA-N 1 1 453.587 2.057 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165018636 721804574 /nfs/dbraw/zinc/80/45/74/721804574.db2.gz BRKHXEOKGZQKSB-OEMFJLHTSA-N 1 1 493.656 2.282 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCOCC3)C[C@@H]21 ZINC001165018998 721818664 /nfs/dbraw/zinc/81/86/64/721818664.db2.gz BIWFWEICGWUCBH-ILWGZMRPSA-N 1 1 471.627 2.234 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@H]21 ZINC001165029026 721823840 /nfs/dbraw/zinc/82/38/40/721823840.db2.gz WLLMFGDMDQLVOF-WWPVKYPJSA-N 1 1 471.627 2.234 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921393 721866922 /nfs/dbraw/zinc/86/69/22/721866922.db2.gz CLJRILTUOPNVLU-RTWAWAEBSA-N 1 1 497.621 2.275 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921393 721866924 /nfs/dbraw/zinc/86/69/24/721866924.db2.gz CLJRILTUOPNVLU-RTWAWAEBSA-N 1 1 497.621 2.275 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925104 721871127 /nfs/dbraw/zinc/87/11/27/721871127.db2.gz MNYXANJFJGCFKC-LOSJGSFVSA-N 1 1 462.642 2.254 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925104 721871129 /nfs/dbraw/zinc/87/11/29/721871129.db2.gz MNYXANJFJGCFKC-LOSJGSFVSA-N 1 1 462.642 2.254 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164923743 721874483 /nfs/dbraw/zinc/87/44/83/721874483.db2.gz KDBBHORKESSQNE-SFTDATJTSA-N 1 1 459.616 2.496 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164923157 721874870 /nfs/dbraw/zinc/87/48/70/721874870.db2.gz IUGSSGRROMKLEB-NCXUSEDFSA-N 1 1 477.604 2.440 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164923157 721874872 /nfs/dbraw/zinc/87/48/72/721874872.db2.gz IUGSSGRROMKLEB-NCXUSEDFSA-N 1 1 477.604 2.440 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC001165038211 721915973 /nfs/dbraw/zinc/91/59/73/721915973.db2.gz LSRYHUFWBIQILJ-HTAPYJJXSA-N 1 1 466.989 2.318 20 0 JEADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164959038 722039518 /nfs/dbraw/zinc/03/95/18/722039518.db2.gz GBSBUDHVDAWPQX-LXGFNABISA-N 1 1 457.619 2.087 20 0 JEADMO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C(=O)OC ZINC001164961200 722053144 /nfs/dbraw/zinc/05/31/44/722053144.db2.gz VPQAVTDHTFQUGT-UHFFFAOYSA-N 1 1 454.527 2.169 20 0 JEADMO c1nc2c(nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2N2CCOCC2)s1 ZINC001164964754 722054547 /nfs/dbraw/zinc/05/45/47/722054547.db2.gz XOYAGFRRXSOKNO-UHFFFAOYSA-N 1 1 481.626 2.437 20 0 JEADMO CC(C)C(=O)N1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@]2(CCCC(=O)N2)C1 ZINC001164974831 722088271 /nfs/dbraw/zinc/08/82/71/722088271.db2.gz RHTAQAJSECIFOW-MHZLTWQESA-N 1 1 476.625 2.378 20 0 JEADMO CC(C)C(=O)N1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@]2(CCCC(=O)N2)C1 ZINC001164974831 722088273 /nfs/dbraw/zinc/08/82/73/722088273.db2.gz RHTAQAJSECIFOW-MHZLTWQESA-N 1 1 476.625 2.378 20 0 JEADMO c1nc2c(nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164975560 722108319 /nfs/dbraw/zinc/10/83/19/722108319.db2.gz JURJQRFBGWSSRT-MOPGFXCFSA-N 1 1 467.599 2.045 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980547 722115609 /nfs/dbraw/zinc/11/56/09/722115609.db2.gz RSZLJFNECWEUQN-UWJYYQICSA-N 1 1 451.527 2.480 20 0 JEADMO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994307 722212236 /nfs/dbraw/zinc/21/22/36/722212236.db2.gz ALIBSZLHZGSWPX-DEOSSOPVSA-N 1 1 464.549 2.481 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ccn4COC(=O)C(C)(C)C)CC3)CC1 ZINC001164996644 722233849 /nfs/dbraw/zinc/23/38/49/722233849.db2.gz HQENWYJSKVCRKU-UHFFFAOYSA-N 1 1 478.601 2.125 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CCc4ccccc42)CC3)CC1 ZINC001165001246 722237170 /nfs/dbraw/zinc/23/71/70/722237170.db2.gz FQPGFUXGHBSPCN-UHFFFAOYSA-N 1 1 469.593 2.432 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164416974 718890977 /nfs/dbraw/zinc/89/09/77/718890977.db2.gz GRBDPJLDGVVPIJ-MRXNPFEDSA-N 1 1 458.364 2.217 20 0 JEADMO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)nn1 ZINC001164636779 719266153 /nfs/dbraw/zinc/26/61/53/719266153.db2.gz KCFSVDWGVRRBEX-CJFMBICVSA-N 1 1 468.602 2.377 20 0 JEADMO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)nn1 ZINC001164636788 719266318 /nfs/dbraw/zinc/26/63/18/719266318.db2.gz KCFSVDWGVRRBEX-NBGIEHNGSA-N 1 1 468.602 2.377 20 0 JEADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@@H](C2)c2nc(N4CCOCC4)ncc2CS3(=O)=O)nc1 ZINC001164655639 719296518 /nfs/dbraw/zinc/29/65/18/719296518.db2.gz ULPOFNWQPRYLQF-VSKRKVRLSA-N 1 1 498.653 2.156 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@@H](C2)c2nc(N4CCOCC4)ncc2CS3(=O)=O)nc1 ZINC001164655639 719296522 /nfs/dbraw/zinc/29/65/22/719296522.db2.gz ULPOFNWQPRYLQF-VSKRKVRLSA-N 1 1 498.653 2.156 20 0 JEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C[C@@H]2CCCO[C@H]12 ZINC001164651339 719320949 /nfs/dbraw/zinc/32/09/49/719320949.db2.gz GXZXQGUEDYNVCZ-LXBDKUERSA-N 1 1 455.559 2.265 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664908 719356812 /nfs/dbraw/zinc/35/68/12/719356812.db2.gz RZJIKHNNKHRPNK-NRFANRHFSA-N 1 1 495.962 2.358 20 0 JEADMO CCn1nnc2c1[C@@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164662687 719361295 /nfs/dbraw/zinc/36/12/95/719361295.db2.gz DLFUYJGJFSGOOF-ZWKOTPCHSA-N 1 1 485.633 2.242 20 0 JEADMO CCn1nnc2c1[C@@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164662687 719361300 /nfs/dbraw/zinc/36/13/00/719361300.db2.gz DLFUYJGJFSGOOF-ZWKOTPCHSA-N 1 1 485.633 2.242 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)CC2 ZINC001164690290 719746086 /nfs/dbraw/zinc/74/60/86/719746086.db2.gz YNCKCUYFZUXVPX-UHFFFAOYSA-N 1 1 467.593 2.123 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164719510 720120553 /nfs/dbraw/zinc/12/05/53/720120553.db2.gz XRHQCHWTFRNTCE-HKUYNNGSSA-N 1 1 451.575 2.156 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164719511 720120863 /nfs/dbraw/zinc/12/08/63/720120863.db2.gz XRHQCHWTFRNTCE-IEBWSBKVSA-N 1 1 451.575 2.156 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164710802 720149778 /nfs/dbraw/zinc/14/97/78/720149778.db2.gz CUVUWTNAIDNLFC-KRWDZBQOSA-N 1 1 466.007 2.285 20 0 JEADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164711349 720156464 /nfs/dbraw/zinc/15/64/64/720156464.db2.gz BBHRCMSEWKHESA-QGZVFWFLSA-N 1 1 478.018 2.362 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164711349 720156470 /nfs/dbraw/zinc/15/64/70/720156470.db2.gz BBHRCMSEWKHESA-QGZVFWFLSA-N 1 1 478.018 2.362 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164716185 720228986 /nfs/dbraw/zinc/22/89/86/720228986.db2.gz AVNXUHASYNEIMN-SFHVURJKSA-N 1 1 474.780 2.045 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164716185 720228997 /nfs/dbraw/zinc/22/89/97/720228997.db2.gz AVNXUHASYNEIMN-SFHVURJKSA-N 1 1 474.780 2.045 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)[nH]1 ZINC001164813961 720229748 /nfs/dbraw/zinc/22/97/48/720229748.db2.gz QFXPUWIWJFBSTK-UHFFFAOYSA-N 1 1 459.938 2.205 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CCC2 ZINC001164814613 720230961 /nfs/dbraw/zinc/23/09/61/720230961.db2.gz ZGOWXTQYTGZSDB-UHFFFAOYSA-N 1 1 456.591 2.366 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CCC2 ZINC001164813215 720238952 /nfs/dbraw/zinc/23/89/52/720238952.db2.gz LHZRAANWXAJIKX-UHFFFAOYSA-N 1 1 452.897 2.310 20 0 JEADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)n1 ZINC001164816288 720247427 /nfs/dbraw/zinc/24/74/27/720247427.db2.gz HOIAECSKXRMYAO-UHFFFAOYSA-N 1 1 469.615 2.411 20 0 JEADMO CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1C(=O)OCC ZINC001164816907 720247918 /nfs/dbraw/zinc/24/79/18/720247918.db2.gz NXHXOSBZCIOLON-UHFFFAOYSA-N 1 1 471.558 2.242 20 0 JEADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)C2)C1 ZINC001164719961 720255418 /nfs/dbraw/zinc/25/54/18/720255418.db2.gz QBVLEXDWJLAHQR-RUZDIDTESA-N 1 1 466.561 2.284 20 0 JEADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718190 720257487 /nfs/dbraw/zinc/25/74/87/720257487.db2.gz CRFZLDBGHHHMAP-VWLOTQADSA-N 1 1 466.561 2.284 20 0 JEADMO O=C([C@H]1Cn2nccc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164817211 720264134 /nfs/dbraw/zinc/26/41/34/720264134.db2.gz PXNABVSWVMJUKD-OAQYLSRUSA-N 1 1 457.582 2.490 20 0 JEADMO O=C([C@H]1Cn2nccc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164817211 720264150 /nfs/dbraw/zinc/26/41/50/720264150.db2.gz PXNABVSWVMJUKD-OAQYLSRUSA-N 1 1 457.582 2.490 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164721970 720280448 /nfs/dbraw/zinc/28/04/48/720280448.db2.gz NUQJVYFHQCAKMU-RUZDIDTESA-N 1 1 452.603 2.285 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164721970 720280461 /nfs/dbraw/zinc/28/04/61/720280461.db2.gz NUQJVYFHQCAKMU-RUZDIDTESA-N 1 1 452.603 2.285 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164722287 720291240 /nfs/dbraw/zinc/29/12/40/720291240.db2.gz PJQQRDHBDMQGFH-RUZDIDTESA-N 1 1 452.555 2.103 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164722287 720291250 /nfs/dbraw/zinc/29/12/50/720291250.db2.gz PJQQRDHBDMQGFH-RUZDIDTESA-N 1 1 452.555 2.103 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164839453 720524748 /nfs/dbraw/zinc/52/47/48/720524748.db2.gz UPWMOKJODXVUPK-QYZOEREBSA-N 1 1 468.631 2.497 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835512 720572504 /nfs/dbraw/zinc/57/25/04/720572504.db2.gz HPNNUPIFVUBALO-PCCBWWKXSA-N 1 1 458.632 2.440 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842787 720610862 /nfs/dbraw/zinc/61/08/62/720610862.db2.gz VNSIKGPYKLJHQH-QHAWAJNXSA-N 1 1 465.602 2.486 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744431 720641490 /nfs/dbraw/zinc/64/14/90/720641490.db2.gz SEYKYLHDZGIZSV-HUUCEWRRSA-N 1 1 451.909 2.407 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744431 720641507 /nfs/dbraw/zinc/64/15/07/720641507.db2.gz SEYKYLHDZGIZSV-HUUCEWRRSA-N 1 1 451.909 2.407 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836966 720645217 /nfs/dbraw/zinc/64/52/17/720645217.db2.gz AKJCYJRTPXASGV-YQQAZPJKSA-N 1 1 450.996 2.034 20 0 JEADMO Cc1cc2c(ncnc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164746256 720651174 /nfs/dbraw/zinc/65/11/74/720651174.db2.gz WKFNCVUCHNWURY-RBUKOAKNSA-N 1 1 491.577 2.109 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164736766 720694783 /nfs/dbraw/zinc/69/47/83/720694783.db2.gz BAKOLUREFXJFJJ-SVFBPWRDSA-N 1 1 478.601 2.113 20 0 JEADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164740121 720698304 /nfs/dbraw/zinc/69/83/04/720698304.db2.gz QFCJGIUVRFJWQY-WOJBJXKFSA-N 1 1 476.585 2.380 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164836423 720720826 /nfs/dbraw/zinc/72/08/26/720720826.db2.gz AFSRSGYGWXFTLM-RTWAWAEBSA-N 1 1 450.587 2.191 20 0 JEADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164740406 720763631 /nfs/dbraw/zinc/76/36/31/720763631.db2.gz KVTXGMJXLNTSKN-MOPGFXCFSA-N 1 1 481.626 2.272 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)c2)CC1 ZINC001164855702 720817053 /nfs/dbraw/zinc/81/70/53/720817053.db2.gz YHWDIIQAYSYLSN-LVXARBLLSA-N 1 1 450.583 2.366 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751821 720844682 /nfs/dbraw/zinc/84/46/82/720844682.db2.gz YYOUZEFLQLFOAE-ZMSDIMECSA-N 1 1 470.965 2.369 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@H]2C1 ZINC001164855385 720849752 /nfs/dbraw/zinc/84/97/52/720849752.db2.gz UDNPFLNKYONGLP-RDJZCZTQSA-N 1 1 474.936 2.415 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749878 720852922 /nfs/dbraw/zinc/85/29/22/720852922.db2.gz OMDBVQLGCICDMH-FDFHNCONSA-N 1 1 485.658 2.227 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747677 720860365 /nfs/dbraw/zinc/86/03/65/720860365.db2.gz JACLCJBTTZLIKV-VDHUWJSZSA-N 1 1 459.982 2.377 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851544 720864861 /nfs/dbraw/zinc/86/48/61/720864861.db2.gz ATBSLQGQRCCAFT-AZGAKELHSA-N 1 1 493.652 2.213 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(/C=C/C(=O)OC)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164862393 720867636 /nfs/dbraw/zinc/86/76/36/720867636.db2.gz ZYSOBBHBBRAUEW-SLLDUXSESA-N 1 1 474.602 2.426 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)CC[C@@H]2C1 ZINC001164862215 720879147 /nfs/dbraw/zinc/87/91/47/720879147.db2.gz RJLGOKFZBXRLHH-NFBKMPQASA-N 1 1 470.593 2.116 20 0 JEADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cnc1Cl ZINC001164860986 720893082 /nfs/dbraw/zinc/89/30/82/720893082.db2.gz WSKDSXRUCSWACT-HOCLYGCPSA-N 1 1 467.966 2.247 20 0 JEADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cnc1Cl ZINC001164860984 720893185 /nfs/dbraw/zinc/89/31/85/720893185.db2.gz WSKDSXRUCSWACT-GOEBONIOSA-N 1 1 467.966 2.247 20 0 JEADMO NC(=O)c1nc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757158 720895041 /nfs/dbraw/zinc/89/50/41/720895041.db2.gz SZKCQJKMDNKGKN-WZONZLPQSA-N 1 1 456.978 2.379 20 0 JEADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164746484 720925680 /nfs/dbraw/zinc/92/56/80/720925680.db2.gz AWAQXLNBXLDFCC-WCYRKSIYSA-N 1 1 491.640 2.081 20 0 JEADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C(C)(C)c2ccnc(Cl)c2)CC3)C1=O ZINC001164747345 720944083 /nfs/dbraw/zinc/94/40/83/720944083.db2.gz CSQSVBOVZSPDST-NRFANRHFSA-N 1 1 455.024 2.176 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@@H](C(=O)NCc5ccccn5)[C@@H]4C3)c2)CC1 ZINC001164757632 721022254 /nfs/dbraw/zinc/02/22/54/721022254.db2.gz FHSQOJUBGDLZTI-SGNDLWITSA-N 1 1 465.598 2.497 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164765294 721091460 /nfs/dbraw/zinc/09/14/60/721091460.db2.gz IVNJODVDPFOBCB-IRXDYDNUSA-N 1 1 467.952 2.203 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1C ZINC001164881186 721135124 /nfs/dbraw/zinc/13/51/24/721135124.db2.gz ZNWRDXYRSIBKOU-JKSUJKDBSA-N 1 1 456.934 2.283 20 0 JEADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164872639 721154274 /nfs/dbraw/zinc/15/42/74/721154274.db2.gz HYPHJBPDTYIISK-VQTJNVASSA-N 1 1 457.962 2.082 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C[C@H]3C2)cn1 ZINC001164770069 721202399 /nfs/dbraw/zinc/20/23/99/721202399.db2.gz MWPZTXNZECJILQ-DHIUTWEWSA-N 1 1 458.614 2.495 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c(Cl)nccc43)CC2)C1 ZINC001164872471 721283976 /nfs/dbraw/zinc/28/39/76/721283976.db2.gz DWMNRUCYXMFWHL-UHFFFAOYSA-N 1 1 453.374 2.339 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(C(=O)NC4CCCC4)cc3Cl)CC2)C1 ZINC001164879629 721286730 /nfs/dbraw/zinc/28/67/30/721286730.db2.gz XWWCVUJYJFSOJE-UHFFFAOYSA-N 1 1 478.037 2.414 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164779063 721340667 /nfs/dbraw/zinc/34/06/67/721340667.db2.gz QABPIKJJJOEBIJ-QFIPXVFZSA-N 1 1 477.997 2.085 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164779063 721340670 /nfs/dbraw/zinc/34/06/70/721340670.db2.gz QABPIKJJJOEBIJ-QFIPXVFZSA-N 1 1 477.997 2.085 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCOCC4)nc4c3CCN4)C2)C1 ZINC001164777711 721342876 /nfs/dbraw/zinc/34/28/76/721342876.db2.gz HOTVGLDTJOLFLP-VWLOTQADSA-N 1 1 483.617 2.005 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cccnc4)C3)c2)CC1 ZINC001164780340 721381793 /nfs/dbraw/zinc/38/17/93/721381793.db2.gz GBXAWUJYVNNCOH-NGYIFUPDSA-N 1 1 451.571 2.363 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)cc-2n1 ZINC001164892003 721408991 /nfs/dbraw/zinc/40/89/91/721408991.db2.gz XVSJDXBPAWZJFP-XDHUDOTRSA-N 1 1 457.575 2.124 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164892516 721413214 /nfs/dbraw/zinc/41/32/14/721413214.db2.gz YPPHNFRHJPYDDG-VGSWGCGISA-N 1 1 451.999 2.001 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC(C)=O ZINC001164893109 721425424 /nfs/dbraw/zinc/42/54/24/721425424.db2.gz JAHXNTMGKYFOJK-RXFWQSSRSA-N 1 1 497.596 2.246 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)C1=O ZINC001164897108 721430065 /nfs/dbraw/zinc/43/00/65/721430065.db2.gz SPCHHMDLDULTDS-GAJHUEQPSA-N 1 1 463.026 2.260 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164888731 721437361 /nfs/dbraw/zinc/43/73/61/721437361.db2.gz AOVHJJXIZOZPHW-IMSXRSKXSA-N 1 1 479.691 2.314 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164783208 721451501 /nfs/dbraw/zinc/45/15/01/721451501.db2.gz ABOJDCMDPHRGNL-HSZRJFAPSA-N 1 1 472.630 2.288 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164890424 721451940 /nfs/dbraw/zinc/45/19/40/721451940.db2.gz RRPVPPQKUHCQFF-YVHKJVDXSA-N 1 1 451.999 2.172 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164788554 721455831 /nfs/dbraw/zinc/45/58/31/721455831.db2.gz RHMZVRGPLDUCME-GOSISDBHSA-N 1 1 477.631 2.095 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C(=O)OCC ZINC001164900288 721523075 /nfs/dbraw/zinc/52/30/75/721523075.db2.gz PTUYFJHBJUESIQ-AEFFLSMTSA-N 1 1 458.490 2.311 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164809656 721577419 /nfs/dbraw/zinc/57/74/19/721577419.db2.gz UIYDCSFYVPBUGW-MQSCRBSSSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164809656 721577420 /nfs/dbraw/zinc/57/74/20/721577420.db2.gz UIYDCSFYVPBUGW-MQSCRBSSSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802563 721580991 /nfs/dbraw/zinc/58/09/91/721580991.db2.gz GIGNLYFAZCMLAL-BHDDXSALSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802563 721580993 /nfs/dbraw/zinc/58/09/93/721580993.db2.gz GIGNLYFAZCMLAL-BHDDXSALSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802564 721581031 /nfs/dbraw/zinc/58/10/31/721581031.db2.gz GIGNLYFAZCMLAL-VSKRKVRLSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802564 721581033 /nfs/dbraw/zinc/58/10/33/721581033.db2.gz GIGNLYFAZCMLAL-VSKRKVRLSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164810933 721584989 /nfs/dbraw/zinc/58/49/89/721584989.db2.gz WSAPDZZDOQTRFD-MQSCRBSSSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164810933 721584992 /nfs/dbraw/zinc/58/49/92/721584992.db2.gz WSAPDZZDOQTRFD-MQSCRBSSSA-N 1 1 457.600 2.129 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2C1 ZINC001164806871 721591291 /nfs/dbraw/zinc/59/12/91/721591291.db2.gz NKXZKWOMBBHVBZ-CMCISMSHSA-N 1 1 451.571 2.408 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc2C1 ZINC001164806871 721591294 /nfs/dbraw/zinc/59/12/94/721591294.db2.gz NKXZKWOMBBHVBZ-CMCISMSHSA-N 1 1 451.571 2.408 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCOC[C@]4(CN(c5ccsc5)C(=O)CO4)C3)c2)CC1 ZINC001164797262 721594385 /nfs/dbraw/zinc/59/43/85/721594385.db2.gz FVJBYSFOORNHCO-HSZRJFAPSA-N 1 1 458.584 2.255 20 0 JEADMO C[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009821 721691756 /nfs/dbraw/zinc/69/17/56/721691756.db2.gz RAAYUKPIMTYKOU-WWEVIYMKSA-N 1 1 451.575 2.026 20 0 JEADMO CCOC(=O)c1nc2ccccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912101 721771281 /nfs/dbraw/zinc/77/12/81/721771281.db2.gz KFYWPDWFKMGNRK-VWLOTQADSA-N 1 1 463.538 2.309 20 0 JEADMO CCOC(=O)c1nc2ccccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912101 721771283 /nfs/dbraw/zinc/77/12/83/721771283.db2.gz KFYWPDWFKMGNRK-VWLOTQADSA-N 1 1 463.538 2.309 20 0 JEADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165019982 721786917 /nfs/dbraw/zinc/78/69/17/721786917.db2.gz LLJQXHNGFMCNCJ-SANMLTNESA-N 1 1 465.598 2.125 20 0 JEADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165019982 721786919 /nfs/dbraw/zinc/78/69/19/721786919.db2.gz LLJQXHNGFMCNCJ-SANMLTNESA-N 1 1 465.598 2.125 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165024683 721791193 /nfs/dbraw/zinc/79/11/93/721791193.db2.gz SMIGLIMGVQYSHZ-ZVDOUQERSA-N 1 1 492.624 2.375 20 0 JEADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]32)cc1 ZINC001165018732 721797064 /nfs/dbraw/zinc/79/70/64/721797064.db2.gz CHDYEVZWSPHYBD-DHIUTWEWSA-N 1 1 452.555 2.179 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c2)CC1 ZINC001164914345 721799154 /nfs/dbraw/zinc/79/91/54/721799154.db2.gz MALFHSNGRKDXST-VWLOTQADSA-N 1 1 453.587 2.057 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H]21 ZINC001165018638 721804701 /nfs/dbraw/zinc/80/47/01/721804701.db2.gz BRKHXEOKGZQKSB-QPTUXGOLSA-N 1 1 493.656 2.282 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164923741 721874433 /nfs/dbraw/zinc/87/44/33/721874433.db2.gz KDBBHORKESSQNE-RTWAWAEBSA-N 1 1 459.616 2.496 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929264 721879813 /nfs/dbraw/zinc/87/98/13/721879813.db2.gz AXTHIENHZVKESW-RTBURBONSA-N 1 1 456.660 2.227 20 0 JEADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929264 721879815 /nfs/dbraw/zinc/87/98/15/721879815.db2.gz AXTHIENHZVKESW-RTBURBONSA-N 1 1 456.660 2.227 20 0 JEADMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCn3ccnc3C2)n1 ZINC001164938622 721933393 /nfs/dbraw/zinc/93/33/93/721933393.db2.gz BEASTILFTZRZFF-UHFFFAOYSA-N 1 1 490.612 2.277 20 0 JEADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164946911 721987821 /nfs/dbraw/zinc/98/78/21/721987821.db2.gz BDMJPUBMKXEEJD-IRLDBZIGSA-N 1 1 455.628 2.204 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)c2c1C ZINC001164951270 721989194 /nfs/dbraw/zinc/98/91/94/721989194.db2.gz LRJJHTYJQFMWNP-MSOLQXFVSA-N 1 1 478.688 2.468 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)CN(Cc3cccnc3)C(=O)CO4)c2)CC1 ZINC001164951802 722003227 /nfs/dbraw/zinc/00/32/27/722003227.db2.gz JDVAGRNYUKJJQJ-UHFFFAOYSA-N 1 1 451.571 2.348 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]23)cn1 ZINC001164961973 722030999 /nfs/dbraw/zinc/03/09/99/722030999.db2.gz WOUQWFQFVPDURQ-HWBMXIPRSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]23)cn1 ZINC001164961973 722031002 /nfs/dbraw/zinc/03/10/02/722031002.db2.gz WOUQWFQFVPDURQ-HWBMXIPRSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2COC[C@H]21 ZINC001164961603 722036700 /nfs/dbraw/zinc/03/67/00/722036700.db2.gz LRZPCRDFNPITSA-FJIJXJHWSA-N 1 1 458.566 2.007 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2COC[C@H]21 ZINC001164961603 722036703 /nfs/dbraw/zinc/03/67/03/722036703.db2.gz LRZPCRDFNPITSA-FJIJXJHWSA-N 1 1 458.566 2.007 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)N1CCCC1 ZINC001164963406 722057960 /nfs/dbraw/zinc/05/79/60/722057960.db2.gz YOIHUCMSLHFWRR-UHFFFAOYSA-N 1 1 471.627 2.380 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164969319 722079441 /nfs/dbraw/zinc/07/94/41/722079441.db2.gz IYGHJDBKUBYRPV-VWLOTQADSA-N 1 1 482.654 2.483 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164968490 722079454 /nfs/dbraw/zinc/07/94/54/722079454.db2.gz BROMTXJWNZPPHV-IVCQMTBJSA-N 1 1 482.654 2.339 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@H]3CC2)nc1 ZINC001164969841 722087635 /nfs/dbraw/zinc/08/76/35/722087635.db2.gz APFBOBIMAHDWMC-BDTNDASRSA-N 1 1 477.675 2.337 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982606 722127428 /nfs/dbraw/zinc/12/74/28/722127428.db2.gz XIYLATMUBSQNCR-MSOLQXFVSA-N 1 1 485.976 2.165 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979585 722135045 /nfs/dbraw/zinc/13/50/45/722135045.db2.gz LIJZEKMCJDCMEA-YJBOKZPZSA-N 1 1 487.960 2.050 20 0 JEADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972691 722138627 /nfs/dbraw/zinc/13/86/27/722138627.db2.gz AGYSPCAVQNXFSW-YADHBBJMSA-N 1 1 464.618 2.194 20 0 JEADMO CC(=O)NCc1ncn2c1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CCC2 ZINC001165000079 722228203 /nfs/dbraw/zinc/22/82/03/722228203.db2.gz PVNIEKZITJGUMG-IBGZPJMESA-N 1 1 497.644 2.123 20 0 JEADMO COC(=O)c1cc2c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH]c(Cl)cc-2n1 ZINC001164997147 722236218 /nfs/dbraw/zinc/23/62/18/722236218.db2.gz LXWCYPMBEJNRMZ-UHFFFAOYSA-N 1 1 455.950 2.150 20 0 JEADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2c2ccccc2)C1=O ZINC001164630603 719144126 /nfs/dbraw/zinc/14/41/26/719144126.db2.gz JPORMNPIAYVSQE-YWEHKCAJSA-N 1 1 491.636 2.465 20 0 JEADMO COCCN1CCN(C)C2(CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC2)C1=O ZINC001164637972 719275702 /nfs/dbraw/zinc/27/57/02/719275702.db2.gz BUCQFEBRFQISCP-UHFFFAOYSA-N 1 1 466.561 2.378 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)cc1 ZINC001164686799 719734323 /nfs/dbraw/zinc/73/43/23/719734323.db2.gz TYFPMADAWQRDCJ-UHFFFAOYSA-N 1 1 487.626 2.462 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)cc1 ZINC001164686799 719734326 /nfs/dbraw/zinc/73/43/26/719734326.db2.gz TYFPMADAWQRDCJ-UHFFFAOYSA-N 1 1 487.626 2.462 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)CC2 ZINC001164690289 719737977 /nfs/dbraw/zinc/73/79/77/719737977.db2.gz YKHVCKMPJNHLPV-UHFFFAOYSA-N 1 1 463.582 2.427 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164689510 719738221 /nfs/dbraw/zinc/73/82/21/719738221.db2.gz FRPHJUNFLGKAJN-HSZRJFAPSA-N 1 1 494.015 2.173 20 0 JEADMO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC001164695394 719828967 /nfs/dbraw/zinc/82/89/67/719828967.db2.gz CFOJQENAUXKANT-SFHVURJKSA-N 1 1 483.642 2.499 20 0 JEADMO COC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)Cc2cn(C)nc21 ZINC001164695375 719832424 /nfs/dbraw/zinc/83/24/24/719832424.db2.gz MFEZWZJZKPYPPN-HKUYNNGSSA-N 1 1 470.618 2.364 20 0 JEADMO COC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)Cc2cn(C)nc21 ZINC001164695375 719832425 /nfs/dbraw/zinc/83/24/25/719832425.db2.gz MFEZWZJZKPYPPN-HKUYNNGSSA-N 1 1 470.618 2.364 20 0 JEADMO COC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c2ccccc2c1OC ZINC001164705032 719873488 /nfs/dbraw/zinc/87/34/88/719873488.db2.gz NBSGSVFJSZEMRP-VOIUYBSRSA-N 1 1 457.527 2.263 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164715672 720052587 /nfs/dbraw/zinc/05/25/87/720052587.db2.gz TVRCGBMEYBAPQZ-NIJXNBFTSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164715672 720052593 /nfs/dbraw/zinc/05/25/93/720052593.db2.gz TVRCGBMEYBAPQZ-NIJXNBFTSA-N 1 1 485.592 2.239 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164714214 720120166 /nfs/dbraw/zinc/12/01/66/720120166.db2.gz ASPPMKXEKKJHOF-NHCUHLMSSA-N 1 1 477.613 2.324 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164710862 720140496 /nfs/dbraw/zinc/14/04/96/720140496.db2.gz FEOAZQLLWHYDNC-FQEVSTJZSA-N 1 1 459.616 2.282 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164710803 720150234 /nfs/dbraw/zinc/15/02/34/720150234.db2.gz CUVUWTNAIDNLFC-QGZVFWFLSA-N 1 1 466.007 2.285 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)CCC2 ZINC001164815435 720214653 /nfs/dbraw/zinc/21/46/53/720214653.db2.gz ZECYNRHHEOZXMR-UHFFFAOYSA-N 1 1 497.978 2.319 20 0 JEADMO CCOc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2cc1OCC ZINC001164718716 720251657 /nfs/dbraw/zinc/25/16/57/720251657.db2.gz HKVXMPCVACGZSB-DEOSSOPVSA-N 1 1 457.575 2.092 20 0 JEADMO CCOc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2cc1OCC ZINC001164718716 720251676 /nfs/dbraw/zinc/25/16/76/720251676.db2.gz HKVXMPCVACGZSB-DEOSSOPVSA-N 1 1 457.575 2.092 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164723228 720271448 /nfs/dbraw/zinc/27/14/48/720271448.db2.gz UXBIBVZCGVIJPB-RUZDIDTESA-N 1 1 491.633 2.022 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164723228 720271453 /nfs/dbraw/zinc/27/14/53/720271453.db2.gz UXBIBVZCGVIJPB-RUZDIDTESA-N 1 1 491.633 2.022 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164723229 720273014 /nfs/dbraw/zinc/27/30/14/720273014.db2.gz UXBIBVZCGVIJPB-VWLOTQADSA-N 1 1 491.633 2.022 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)C2)C1 ZINC001164723229 720273029 /nfs/dbraw/zinc/27/30/29/720273029.db2.gz UXBIBVZCGVIJPB-VWLOTQADSA-N 1 1 491.633 2.022 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164720788 720287579 /nfs/dbraw/zinc/28/75/79/720287579.db2.gz DVMNFZVLVBPZMX-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164720788 720287596 /nfs/dbraw/zinc/28/75/96/720287596.db2.gz DVMNFZVLVBPZMX-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164721841 720320248 /nfs/dbraw/zinc/32/02/48/720320248.db2.gz IBGWNAZJPAQDQD-ZTCOLXNVSA-N 1 1 465.598 2.266 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164721841 720320254 /nfs/dbraw/zinc/32/02/54/720320254.db2.gz IBGWNAZJPAQDQD-ZTCOLXNVSA-N 1 1 465.598 2.266 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164745706 720608603 /nfs/dbraw/zinc/60/86/03/720608603.db2.gz VOWQKJAGPOJYTG-IRXDYDNUSA-N 1 1 459.510 2.191 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164837770 720625724 /nfs/dbraw/zinc/62/57/24/720625724.db2.gz JIBKQDAGKYHKDF-URVUXULASA-N 1 1 458.632 2.440 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743205 720695542 /nfs/dbraw/zinc/69/55/42/720695542.db2.gz WYUPXGPUWWTNKO-STQMWFEESA-N 1 1 450.952 2.161 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164737134 720696250 /nfs/dbraw/zinc/69/62/50/720696250.db2.gz DSDZMANBUGDANZ-BBTUJRGHSA-N 1 1 464.574 2.088 20 0 JEADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164738030 720752625 /nfs/dbraw/zinc/75/26/25/720752625.db2.gz DOAORMHONSYZGP-PZJWPPBQSA-N 1 1 472.549 2.378 20 0 JEADMO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744146 720793998 /nfs/dbraw/zinc/79/39/98/720793998.db2.gz HLGPTAZIKRIWDO-FGZHOGPDSA-N 1 1 459.554 2.112 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164846563 720802628 /nfs/dbraw/zinc/80/26/28/720802628.db2.gz JIZRQKAHQIUCFQ-XEDHWARRSA-N 1 1 499.656 2.000 20 0 JEADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747068 720818196 /nfs/dbraw/zinc/81/81/96/720818196.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747068 720818199 /nfs/dbraw/zinc/81/81/99/720818199.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747068 720818202 /nfs/dbraw/zinc/81/82/02/720818202.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 1 1 450.547 2.106 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)cc21 ZINC001164742631 720826367 /nfs/dbraw/zinc/82/63/67/720826367.db2.gz QFHRZUWHPPERTF-DCLXLUIPSA-N 1 1 472.597 2.334 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742188 720830041 /nfs/dbraw/zinc/83/00/41/720830041.db2.gz QBGLAYGVBFLUOX-JENIJYKNSA-N 1 1 459.982 2.207 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1=O ZINC001164750239 720843537 /nfs/dbraw/zinc/84/35/37/720843537.db2.gz WUZMSWXYAJPIFY-ZHALLVOQSA-N 1 1 471.009 2.465 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1=O ZINC001164750235 720843856 /nfs/dbraw/zinc/84/38/56/720843856.db2.gz WUZMSWXYAJPIFY-JENIJYKNSA-N 1 1 471.009 2.465 20 0 JEADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744584 720845500 /nfs/dbraw/zinc/84/55/00/720845500.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 1 1 478.649 2.043 20 0 JEADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCCCCC2)n1 ZINC001164751016 720845681 /nfs/dbraw/zinc/84/56/81/720845681.db2.gz XSCQNTCGEZTNMH-PWRODBHTSA-N 1 1 467.622 2.232 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)N1CCCCC1 ZINC001164747968 720847410 /nfs/dbraw/zinc/84/74/10/720847410.db2.gz SCSLHVANYJLDLD-FUPPJEDESA-N 1 1 485.658 2.227 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741840 720849480 /nfs/dbraw/zinc/84/94/80/720849480.db2.gz FQNMQCCLYNJJDQ-MQSCRBSSSA-N 1 1 487.674 2.377 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749874 720852631 /nfs/dbraw/zinc/85/26/31/720852631.db2.gz OMDBVQLGCICDMH-BHIFYINESA-N 1 1 485.658 2.227 20 0 JEADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748666 720852765 /nfs/dbraw/zinc/85/27/65/720852765.db2.gz LMCHPEZJXGUQHD-SYYKKAFVSA-N 1 1 450.591 2.120 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749869 720852827 /nfs/dbraw/zinc/85/28/27/720852827.db2.gz OMDBVQLGCICDMH-BHDDXSALSA-N 1 1 485.658 2.227 20 0 JEADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748663 720852878 /nfs/dbraw/zinc/85/28/78/720852878.db2.gz LMCHPEZJXGUQHD-CZTZKLFOSA-N 1 1 450.591 2.120 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC[C@@H]2C1 ZINC001164852723 720855612 /nfs/dbraw/zinc/85/56/12/720855612.db2.gz FOSQKDUIIZZOIH-GCJKJVERSA-N 1 1 470.618 2.422 20 0 JEADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750277 720859903 /nfs/dbraw/zinc/85/99/03/720859903.db2.gz PGVHKAAZOUQUFK-INDMIFKZSA-N 1 1 459.982 2.269 20 0 JEADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750280 720859958 /nfs/dbraw/zinc/85/99/58/720859958.db2.gz PGVHKAAZOUQUFK-WJFTUGDTSA-N 1 1 459.982 2.269 20 0 JEADMO NC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752445 720879531 /nfs/dbraw/zinc/87/95/31/720879531.db2.gz NAOYRQNEVWCKOA-FDDCHVKYSA-N 1 1 456.978 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@H]2C1 ZINC001164855782 720879721 /nfs/dbraw/zinc/87/97/21/720879721.db2.gz HVIPMZNDHUAZOE-XJKSGUPXSA-N 1 1 452.968 2.012 20 0 JEADMO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@@H]2C1 ZINC001164863886 720882717 /nfs/dbraw/zinc/88/27/17/720882717.db2.gz UVNMMOCMFUXAKW-YLJYHZDGSA-N 1 1 464.563 2.195 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@@H]2C1 ZINC001164863886 720882720 /nfs/dbraw/zinc/88/27/20/720882720.db2.gz UVNMMOCMFUXAKW-YLJYHZDGSA-N 1 1 464.563 2.195 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC[C@H]2C1 ZINC001164855338 720884586 /nfs/dbraw/zinc/88/45/86/720884586.db2.gz GYZVGDWDXJASSD-UWJYYQICSA-N 1 1 458.559 2.343 20 0 JEADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(S(C)(=O)=O)n1 ZINC001164755607 720891336 /nfs/dbraw/zinc/89/13/36/720891336.db2.gz MDXOLEILSCXMLZ-YKSBVNFPSA-N 1 1 487.626 2.039 20 0 JEADMO NC(=O)c1nc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757156 720895099 /nfs/dbraw/zinc/89/50/99/720895099.db2.gz SZKCQJKMDNKGKN-JPYJTQIMSA-N 1 1 456.978 2.379 20 0 JEADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164757767 720896648 /nfs/dbraw/zinc/89/66/48/720896648.db2.gz VOZRFHMYBYIVIA-BVAGGSTKSA-N 1 1 464.614 2.463 20 0 JEADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755402 720897040 /nfs/dbraw/zinc/89/70/40/720897040.db2.gz LVVAGASNMWWIDN-YWEHKCAJSA-N 1 1 490.652 2.277 20 0 JEADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755402 720897042 /nfs/dbraw/zinc/89/70/42/720897042.db2.gz LVVAGASNMWWIDN-YWEHKCAJSA-N 1 1 490.652 2.277 20 0 JEADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)c1ccno1 ZINC001164859110 720907407 /nfs/dbraw/zinc/90/74/07/720907407.db2.gz OUQPYRVSCUOEIC-PTLVVNQVSA-N 1 1 474.565 2.294 20 0 JEADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)c1ccno1 ZINC001164859110 720907416 /nfs/dbraw/zinc/90/74/16/720907416.db2.gz OUQPYRVSCUOEIC-PTLVVNQVSA-N 1 1 474.565 2.294 20 0 JEADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21)c1ccno1 ZINC001164859108 720907753 /nfs/dbraw/zinc/90/77/53/720907753.db2.gz OUQPYRVSCUOEIC-LEEZEASISA-N 1 1 474.565 2.294 20 0 JEADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)c1ccno1 ZINC001164859108 720907762 /nfs/dbraw/zinc/90/77/62/720907762.db2.gz OUQPYRVSCUOEIC-LEEZEASISA-N 1 1 474.565 2.294 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164748559 720910373 /nfs/dbraw/zinc/91/03/73/720910373.db2.gz GWVHWRBOGUUXTM-WIOPSUGQSA-N 1 1 485.654 2.482 20 0 JEADMO NS(=O)(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164750845 720938265 /nfs/dbraw/zinc/93/82/65/720938265.db2.gz KYRYOYXONKJLNA-CVDCTZTESA-N 1 1 475.590 2.018 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863308 721100629 /nfs/dbraw/zinc/10/06/29/721100629.db2.gz BMBZCHQEZKURDD-IAGOWNOFSA-N 1 1 465.385 2.495 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863308 721100639 /nfs/dbraw/zinc/10/06/39/721100639.db2.gz BMBZCHQEZKURDD-IAGOWNOFSA-N 1 1 465.385 2.495 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164865976 721111570 /nfs/dbraw/zinc/11/15/70/721111570.db2.gz QPPLWVLKQVOCGZ-VXKWHMMOSA-N 1 1 466.586 2.131 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164870948 721192880 /nfs/dbraw/zinc/19/28/80/721192880.db2.gz XUEJBASDHVGGFJ-MOPGFXCFSA-N 1 1 454.527 2.310 20 0 JEADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1N1CCOCC1 ZINC001164870933 721196948 /nfs/dbraw/zinc/19/69/48/721196948.db2.gz XPOZLNBVKXTOJL-IAGOWNOFSA-N 1 1 465.385 2.495 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)C1 ZINC001164878858 721262160 /nfs/dbraw/zinc/26/21/60/721262160.db2.gz VUTVBFGQVLOPLJ-UHFFFAOYSA-N 1 1 452.333 2.335 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3C(=O)NCc3ccccc3)CC2)C1 ZINC001164868967 721263645 /nfs/dbraw/zinc/26/36/45/721263645.db2.gz HPOIUQCLRDJZOR-UHFFFAOYSA-N 1 1 465.598 2.019 20 0 JEADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869885 721267762 /nfs/dbraw/zinc/26/77/62/721267762.db2.gz SCISUKROTIHMPU-UHFFFAOYSA-N 1 1 452.983 2.227 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869012 721272360 /nfs/dbraw/zinc/27/23/60/721272360.db2.gz JKOKQVWEDPUIJV-UHFFFAOYSA-N 1 1 486.038 2.036 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868969 721273726 /nfs/dbraw/zinc/27/37/26/721273726.db2.gz HQGXAGWSVZAHSZ-UHFFFAOYSA-N 1 1 475.977 2.077 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)CC2)C1 ZINC001164873515 721283862 /nfs/dbraw/zinc/28/38/62/721283862.db2.gz NMWCFHBYFDTMLW-UHFFFAOYSA-N 1 1 487.605 2.312 20 0 JEADMO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)c1 ZINC001164877428 721288175 /nfs/dbraw/zinc/28/81/75/721288175.db2.gz MTAHDCBJMDFVRO-UHFFFAOYSA-N 1 1 469.586 2.168 20 0 JEADMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880604 721321398 /nfs/dbraw/zinc/32/13/98/721321398.db2.gz YOVXDXLHEMVAJP-OPXMRZJTSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880604 721321403 /nfs/dbraw/zinc/32/14/03/721321403.db2.gz YOVXDXLHEMVAJP-OPXMRZJTSA-N 1 1 485.592 2.239 20 0 JEADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884715 721420336 /nfs/dbraw/zinc/42/03/36/721420336.db2.gz FKBVAUQTRJVOKO-BWKNWUBXSA-N 1 1 451.619 2.370 20 0 JEADMO COC(=O)c1c(Cl)cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164899880 721429314 /nfs/dbraw/zinc/42/93/14/721429314.db2.gz ZLJVYYBNOXMUCT-OPAMFIHVSA-N 1 1 452.983 2.296 20 0 JEADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)no1 ZINC001164892181 721432493 /nfs/dbraw/zinc/43/24/93/721432493.db2.gz HNQWXUNFEQLBSL-YADARESESA-N 1 1 454.575 2.396 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)C1 ZINC001164894257 721435499 /nfs/dbraw/zinc/43/54/99/721435499.db2.gz LFUYGXFDEHBXDB-UFPGJGBJSA-N 1 1 486.661 2.022 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)C3)O2)CC1 ZINC001164896656 721435545 /nfs/dbraw/zinc/43/55/45/721435545.db2.gz RRINDYAPPQMJSX-LIRRHRJNSA-N 1 1 455.941 2.268 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164890270 721435888 /nfs/dbraw/zinc/43/58/88/721435888.db2.gz CXGNFOKZNALQNB-KUHUBIRLSA-N 1 1 455.941 2.268 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164898671 721437057 /nfs/dbraw/zinc/43/70/57/721437057.db2.gz WKBZSWZJKYWHET-QPPBQGQZSA-N 1 1 479.691 2.171 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C(=O)OCC ZINC001164893175 721452362 /nfs/dbraw/zinc/45/23/62/721452362.db2.gz YSIRTSHDDUNJJV-CLOONOSVSA-N 1 1 474.602 2.200 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)C3)O2)CC1 ZINC001164890400 721453242 /nfs/dbraw/zinc/45/32/42/721453242.db2.gz RLYGQFXOIKZSHM-YLJYHZDGSA-N 1 1 493.020 2.449 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164785667 721462322 /nfs/dbraw/zinc/46/23/22/721462322.db2.gz MLCPCUOHFSTSHV-FQEVSTJZSA-N 1 1 466.648 2.114 20 0 JEADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164795445 721501888 /nfs/dbraw/zinc/50/18/88/721501888.db2.gz HDSHOYCOEFHXHV-UHFFFAOYSA-N 1 1 483.638 2.228 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C(=O)OCC ZINC001164801376 721541222 /nfs/dbraw/zinc/54/12/22/721541222.db2.gz FDAMPQSTCNGNBO-SVFBPWRDSA-N 1 1 469.542 2.093 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1C(=O)OCC ZINC001164801376 721541227 /nfs/dbraw/zinc/54/12/27/721541227.db2.gz FDAMPQSTCNGNBO-SVFBPWRDSA-N 1 1 469.542 2.093 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904003 721548275 /nfs/dbraw/zinc/54/82/75/721548275.db2.gz DXQKKGAPVOALOI-HIFRSBDPSA-N 1 1 476.908 2.408 20 0 JEADMO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)C1=O ZINC001164909267 721555809 /nfs/dbraw/zinc/55/58/09/721555809.db2.gz UDEXTJKAVCAERK-UYAOXDASSA-N 1 1 453.518 2.393 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)CC1 ZINC001164798159 721564064 /nfs/dbraw/zinc/56/40/64/721564064.db2.gz AMQTZOVWZGLJPP-ZFGGDYGUSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809658 721577554 /nfs/dbraw/zinc/57/75/54/721577554.db2.gz UIYDCSFYVPBUGW-QZNHQXDQSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809658 721577559 /nfs/dbraw/zinc/57/75/59/721577559.db2.gz UIYDCSFYVPBUGW-QZNHQXDQSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164810936 721585204 /nfs/dbraw/zinc/58/52/04/721585204.db2.gz WSAPDZZDOQTRFD-QZNHQXDQSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164810936 721585205 /nfs/dbraw/zinc/58/52/05/721585205.db2.gz WSAPDZZDOQTRFD-QZNHQXDQSA-N 1 1 457.600 2.129 20 0 JEADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164913501 721724435 /nfs/dbraw/zinc/72/44/35/721724435.db2.gz WKTYPRZAWJBOPD-QFIPXVFZSA-N 1 1 493.580 2.235 20 0 JEADMO CCOC(=O)c1cnc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1Cl ZINC001165009637 721730086 /nfs/dbraw/zinc/73/00/86/721730086.db2.gz YWXFTPOLJMACIK-UHFFFAOYSA-N 1 1 459.925 2.375 20 0 JEADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001164908414 721751209 /nfs/dbraw/zinc/75/12/09/721751209.db2.gz IHZUFMVJUDQNSA-UHFFFAOYSA-N 1 1 461.570 2.464 20 0 JEADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(N3CCOCC3)nc3c1CCN3)C2 ZINC001164908414 721751214 /nfs/dbraw/zinc/75/12/14/721751214.db2.gz IHZUFMVJUDQNSA-UHFFFAOYSA-N 1 1 461.570 2.464 20 0 JEADMO O=C(c1cnccn1)N1CCOC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)C1 ZINC001165012983 721759391 /nfs/dbraw/zinc/75/93/91/721759391.db2.gz IBKMEIKNFQGUPI-UHFFFAOYSA-N 1 1 485.592 2.337 20 0 JEADMO O=C(c1cnccn1)N1CCOC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)C1 ZINC001165012983 721759393 /nfs/dbraw/zinc/75/93/93/721759393.db2.gz IBKMEIKNFQGUPI-UHFFFAOYSA-N 1 1 485.592 2.337 20 0 JEADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C2 ZINC001164908976 721759744 /nfs/dbraw/zinc/75/97/44/721759744.db2.gz AXYKMFGLTGOBSS-UHFFFAOYSA-N 1 1 461.570 2.099 20 0 JEADMO COc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164911352 721773365 /nfs/dbraw/zinc/77/33/65/721773365.db2.gz GKAYIKOBCGZTKQ-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164911352 721773366 /nfs/dbraw/zinc/77/33/66/721773366.db2.gz GKAYIKOBCGZTKQ-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014158 721775786 /nfs/dbraw/zinc/77/57/86/721775786.db2.gz ANYPNAGCXVHNJG-RPLLCQBOSA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014158 721775791 /nfs/dbraw/zinc/77/57/91/721775791.db2.gz ANYPNAGCXVHNJG-RPLLCQBOSA-N 1 1 477.609 2.269 20 0 JEADMO CCOC(=O)c1cc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913613 721778535 /nfs/dbraw/zinc/77/85/35/721778535.db2.gz YLWXJQWWRRZATA-XMMPIXPASA-N 1 1 451.527 2.242 20 0 JEADMO CCOC(=O)c1cc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913613 721778537 /nfs/dbraw/zinc/77/85/37/721778537.db2.gz YLWXJQWWRRZATA-XMMPIXPASA-N 1 1 451.527 2.242 20 0 JEADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914044 721790898 /nfs/dbraw/zinc/79/08/98/721790898.db2.gz AFNFQOBJUFEZJM-OVMSLRDFSA-N 1 1 463.538 2.252 20 0 JEADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914044 721790899 /nfs/dbraw/zinc/79/08/99/721790899.db2.gz AFNFQOBJUFEZJM-OVMSLRDFSA-N 1 1 463.538 2.252 20 0 JEADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]32)cc1 ZINC001165018736 721797050 /nfs/dbraw/zinc/79/70/50/721797050.db2.gz CHDYEVZWSPHYBD-XZOQPEGZSA-N 1 1 452.555 2.179 20 0 JEADMO c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1-c1ccccc1 ZINC001164914527 721798393 /nfs/dbraw/zinc/79/83/93/721798393.db2.gz OOJNJJWMPVBCEX-RUZDIDTESA-N 1 1 457.538 2.318 20 0 JEADMO c1nc2c(ncnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1-c1ccccc1 ZINC001164914527 721798396 /nfs/dbraw/zinc/79/83/96/721798396.db2.gz OOJNJJWMPVBCEX-RUZDIDTESA-N 1 1 457.538 2.318 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925101 721870752 /nfs/dbraw/zinc/87/07/52/721870752.db2.gz MNYXANJFJGCFKC-JWQCQUIFSA-N 1 1 462.642 2.254 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925101 721870754 /nfs/dbraw/zinc/87/07/54/721870754.db2.gz MNYXANJFJGCFKC-JWQCQUIFSA-N 1 1 462.642 2.254 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925096 721870909 /nfs/dbraw/zinc/87/09/09/721870909.db2.gz MNYXANJFJGCFKC-DQEYMECFSA-N 1 1 462.642 2.254 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925096 721870910 /nfs/dbraw/zinc/87/09/10/721870910.db2.gz MNYXANJFJGCFKC-DQEYMECFSA-N 1 1 462.642 2.254 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164923156 721874996 /nfs/dbraw/zinc/87/49/96/721874996.db2.gz IUGSSGRROMKLEB-MKXGPGLRSA-N 1 1 477.604 2.440 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164923156 721874997 /nfs/dbraw/zinc/87/49/97/721874997.db2.gz IUGSSGRROMKLEB-MKXGPGLRSA-N 1 1 477.604 2.440 20 0 JEADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165035050 721875439 /nfs/dbraw/zinc/87/54/39/721875439.db2.gz SRETZSFHDFOPMC-MRXNPFEDSA-N 1 1 457.600 2.424 20 0 JEADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164946923 721987827 /nfs/dbraw/zinc/98/78/27/721987827.db2.gz BDMJPUBMKXEEJD-UNMCSNQZSA-N 1 1 455.628 2.204 20 0 JEADMO c1cc(CN2CCOCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164963469 722061274 /nfs/dbraw/zinc/06/12/74/722061274.db2.gz ZCHRIPCIYQXQAC-UHFFFAOYSA-N 1 1 452.603 2.369 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1=O ZINC001164967809 722074966 /nfs/dbraw/zinc/07/49/66/722074966.db2.gz XKOXENKRQUSSTN-IEGUWTFLSA-N 1 1 479.000 2.316 20 0 JEADMO CC(=O)N1CCC[C@]2(C1)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CCO2 ZINC001164968816 722083774 /nfs/dbraw/zinc/08/37/74/722083774.db2.gz HQFKBYDSACLILP-IBVKSMDESA-N 1 1 487.645 2.098 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980541 722114785 /nfs/dbraw/zinc/11/47/85/722114785.db2.gz RSZLJFNECWEUQN-DYESRHJHSA-N 1 1 451.527 2.480 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982617 722127237 /nfs/dbraw/zinc/12/72/37/722127237.db2.gz XIYLATMUBSQNCR-ZWKOTPCHSA-N 1 1 485.976 2.165 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974293 722140432 /nfs/dbraw/zinc/14/04/32/722140432.db2.gz DFYATSNCHUREDB-UNMCSNQZSA-N 1 1 459.616 2.234 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCCCC1 ZINC001164974254 722141062 /nfs/dbraw/zinc/14/10/62/722141062.db2.gz CWZPQPUVUQTXEH-GGAORHGYSA-N 1 1 471.627 2.379 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2C1 ZINC001164973968 722158199 /nfs/dbraw/zinc/15/81/99/722158199.db2.gz NPPOPEZKLLTHEK-TXTKFYIRSA-N 1 1 451.571 2.267 20 0 JEADMO COC(=O)c1cc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cnc1Cl ZINC001164996578 722231684 /nfs/dbraw/zinc/23/16/84/722231684.db2.gz JXFHVOGDIRYIEM-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO CCOC(Cc1c(Cl)ncnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1)OCC ZINC001164997778 722233694 /nfs/dbraw/zinc/23/36/94/722233694.db2.gz WMWDNKQKVJBDHZ-UHFFFAOYSA-N 1 1 476.025 2.219 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ncn4Cc2ccccc2F)CC3)CC1 ZINC001164997563 722234852 /nfs/dbraw/zinc/23/48/52/722234852.db2.gz QACDOPKRAKKTNR-UHFFFAOYSA-N 1 1 473.560 2.161 20 0 JEADMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(NC(=O)c2ccccc2)n1 ZINC001165001742 722239023 /nfs/dbraw/zinc/23/90/23/722239023.db2.gz LDAWPHBPXKWSOO-UHFFFAOYSA-N 1 1 458.570 2.184 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5CCCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421527 718901400 /nfs/dbraw/zinc/90/14/00/718901400.db2.gz TYXVIADSTHCLQA-GHTZIAJQSA-N 1 1 472.659 2.281 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)c2c1 ZINC001164641198 719278584 /nfs/dbraw/zinc/27/85/84/719278584.db2.gz UAQGCKXZQCVPTA-UHFFFAOYSA-N 1 1 475.977 2.219 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)c2c1 ZINC001164641198 719278588 /nfs/dbraw/zinc/27/85/88/719278588.db2.gz UAQGCKXZQCVPTA-UHFFFAOYSA-N 1 1 475.977 2.219 20 0 JEADMO COCCN1CC[N@H+](C)C2(CCN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)CC2)C1=O ZINC001164642178 719279766 /nfs/dbraw/zinc/27/97/66/719279766.db2.gz XYPZSTFPKTVQOF-UHFFFAOYSA-N 1 1 473.578 2.064 20 0 JEADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(NC(=O)OC(C)(C)C)c4nc[nH]c43)CC2)C1=O ZINC001164642178 719279771 /nfs/dbraw/zinc/27/97/71/719279771.db2.gz XYPZSTFPKTVQOF-UHFFFAOYSA-N 1 1 473.578 2.064 20 0 JEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C[C@@H]2CCCO[C@@H]12 ZINC001164651337 719320981 /nfs/dbraw/zinc/32/09/81/719320981.db2.gz GXZXQGUEDYNVCZ-AMHTUMDSSA-N 1 1 455.559 2.265 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@H](F)Oc4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663894 719357513 /nfs/dbraw/zinc/35/75/13/719357513.db2.gz IMYFERVBWPIHSE-AZUAARDMSA-N 1 1 451.934 2.237 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@@H](F)Oc4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663897 719357617 /nfs/dbraw/zinc/35/76/17/719357617.db2.gz IMYFERVBWPIHSE-QUCCMNQESA-N 1 1 451.934 2.237 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@H](F)Oc4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663489 719357846 /nfs/dbraw/zinc/35/78/46/719357846.db2.gz GLZOPAJCTZZSQX-AZUAARDMSA-N 1 1 451.934 2.237 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1C(=O)N1CCN(Cc3ccccc3)CC1)CC2 ZINC001164683670 719729898 /nfs/dbraw/zinc/72/98/98/719729898.db2.gz CBPQXRULVFRKHM-UHFFFAOYSA-N 1 1 490.652 2.220 20 0 JEADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)N4CCS(=O)(=O)CC4)cn2)CC3)cs1 ZINC001164692232 719815133 /nfs/dbraw/zinc/81/51/33/719815133.db2.gz OWQSCQRXGIUENT-UHFFFAOYSA-N 1 1 489.667 2.352 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1C ZINC001164700506 719838773 /nfs/dbraw/zinc/83/87/73/719838773.db2.gz KXOABUYPFGGEOR-OYHNWAKOSA-N 1 1 462.572 2.409 20 0 JEADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164704722 719855073 /nfs/dbraw/zinc/85/50/73/719855073.db2.gz SMEQJRITQQPCAH-XDHUDOTRSA-N 1 1 473.574 2.211 20 0 JEADMO COC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c2ccccc2c1OC ZINC001164705030 719873291 /nfs/dbraw/zinc/87/32/91/719873291.db2.gz NBSGSVFJSZEMRP-GYCJOSAFSA-N 1 1 457.527 2.263 20 0 JEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164708871 719911916 /nfs/dbraw/zinc/91/19/16/719911916.db2.gz LHTDFVKCOUQIJQ-UHFFFAOYSA-N 1 1 470.581 2.163 20 0 JEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164709493 719912004 /nfs/dbraw/zinc/91/20/04/719912004.db2.gz WJASVPHTIHZPRK-UHFFFAOYSA-N 1 1 488.571 2.303 20 0 JEADMO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164706311 719915725 /nfs/dbraw/zinc/91/57/25/719915725.db2.gz HMICZKOBYXFPAX-ACIOBRDBSA-N 1 1 463.582 2.288 20 0 JEADMO O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164706311 719915735 /nfs/dbraw/zinc/91/57/35/719915735.db2.gz HMICZKOBYXFPAX-ACIOBRDBSA-N 1 1 463.582 2.288 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164715675 720052703 /nfs/dbraw/zinc/05/27/03/720052703.db2.gz TVRCGBMEYBAPQZ-ZPZUNKDASA-N 1 1 485.592 2.239 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164715675 720052711 /nfs/dbraw/zinc/05/27/11/720052711.db2.gz TVRCGBMEYBAPQZ-ZPZUNKDASA-N 1 1 485.592 2.239 20 0 JEADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164709691 720098578 /nfs/dbraw/zinc/09/85/78/720098578.db2.gz CFYRDHUOVWLLKN-JOCHJYFZSA-N 1 1 451.619 2.131 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCN(C)CC3)nn1)CC2 ZINC001164709691 720098585 /nfs/dbraw/zinc/09/85/85/720098585.db2.gz CFYRDHUOVWLLKN-JOCHJYFZSA-N 1 1 451.619 2.131 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164719514 720119901 /nfs/dbraw/zinc/11/99/01/720119901.db2.gz XRHQCHWTFRNTCE-PKOBYXMFSA-N 1 1 451.575 2.156 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164712188 720143509 /nfs/dbraw/zinc/14/35/09/720143509.db2.gz KUICMPKFFARWHC-NRFANRHFSA-N 1 1 471.627 2.425 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164716179 720230146 /nfs/dbraw/zinc/23/01/46/720230146.db2.gz AVNXUHASYNEIMN-GOSISDBHSA-N 1 1 474.780 2.045 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164716179 720230155 /nfs/dbraw/zinc/23/01/55/720230155.db2.gz AVNXUHASYNEIMN-GOSISDBHSA-N 1 1 474.780 2.045 20 0 JEADMO O=C([C@@H]1Cn2nccc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164817209 720264681 /nfs/dbraw/zinc/26/46/81/720264681.db2.gz PXNABVSWVMJUKD-NRFANRHFSA-N 1 1 457.582 2.490 20 0 JEADMO O=C([C@@H]1Cn2nccc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164817209 720264692 /nfs/dbraw/zinc/26/46/92/720264692.db2.gz PXNABVSWVMJUKD-NRFANRHFSA-N 1 1 457.582 2.490 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164723316 720300795 /nfs/dbraw/zinc/30/07/95/720300795.db2.gz NLOSDEHIMJTNLP-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164723316 720300808 /nfs/dbraw/zinc/30/08/08/720300808.db2.gz NLOSDEHIMJTNLP-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)C1 ZINC001164734391 720521143 /nfs/dbraw/zinc/52/11/43/720521143.db2.gz PVXYBYGWZVUGIF-UXHICEINSA-N 1 1 483.661 2.275 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164745707 720610218 /nfs/dbraw/zinc/61/02/18/720610218.db2.gz VOWQKJAGPOJYTG-SJORKVTESA-N 1 1 459.510 2.191 20 0 JEADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742013 720693537 /nfs/dbraw/zinc/69/35/37/720693537.db2.gz VIHWVANDOCZOCJ-ZMSDIMECSA-N 1 1 456.938 2.311 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743203 720694726 /nfs/dbraw/zinc/69/47/26/720694726.db2.gz WYUPXGPUWWTNKO-OLZOCXBDSA-N 1 1 450.952 2.161 20 0 JEADMO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737054 720720595 /nfs/dbraw/zinc/72/05/95/720720595.db2.gz CSVCXIDBCKVUDK-PMACEKPBSA-N 1 1 459.558 2.056 20 0 JEADMO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737057 720721140 /nfs/dbraw/zinc/72/11/40/720721140.db2.gz CSVCXIDBCKVUDK-WOJBJXKFSA-N 1 1 459.558 2.056 20 0 JEADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743370 720727206 /nfs/dbraw/zinc/72/72/06/720727206.db2.gz PTGQFGDWPPNXGX-ICSRJNTNSA-N 1 1 480.594 2.470 20 0 JEADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164745856 720736628 /nfs/dbraw/zinc/73/66/28/720736628.db2.gz WAYYOLOPFIMUAS-DLBZAZTESA-N 1 1 470.574 2.490 20 0 JEADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738543 720740008 /nfs/dbraw/zinc/74/00/08/720740008.db2.gz FYFGSNAZAYLNAU-FOIQLMIDSA-N 1 1 480.569 2.384 20 0 JEADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164738032 720750981 /nfs/dbraw/zinc/75/09/81/720750981.db2.gz DOAORMHONSYZGP-TZIWHRDSSA-N 1 1 472.549 2.378 20 0 JEADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164746437 720772903 /nfs/dbraw/zinc/77/29/03/720772903.db2.gz YDSKZDXBMLIRRC-UXHICEINSA-N 1 1 476.560 2.074 20 0 JEADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164750653 720793871 /nfs/dbraw/zinc/79/38/71/720793871.db2.gz WOERLYCXBTWYQQ-IRXDYDNUSA-N 1 1 464.526 2.301 20 0 JEADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164750659 720793928 /nfs/dbraw/zinc/79/39/28/720793928.db2.gz WOERLYCXBTWYQQ-SJORKVTESA-N 1 1 464.526 2.301 20 0 JEADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164740675 720812317 /nfs/dbraw/zinc/81/23/17/720812317.db2.gz ABNZJOCSJBGVQG-BFYDXBDKSA-N 1 1 465.936 2.350 20 0 JEADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747081 720818080 /nfs/dbraw/zinc/81/80/80/720818080.db2.gz ZYUSBGQUDJNQPK-ZIFCJYIRSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747081 720818083 /nfs/dbraw/zinc/81/80/83/720818083.db2.gz ZYUSBGQUDJNQPK-ZIFCJYIRSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747081 720818085 /nfs/dbraw/zinc/81/80/85/720818085.db2.gz ZYUSBGQUDJNQPK-ZIFCJYIRSA-N 1 1 450.547 2.106 20 0 JEADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164742620 720830595 /nfs/dbraw/zinc/83/05/95/720830595.db2.gz QCVBAGDOAXRKEL-GBESFXJTSA-N 1 1 459.982 2.339 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749435 720837694 /nfs/dbraw/zinc/83/76/94/720837694.db2.gz VVHJAUGSFMMFCH-XPWALMASSA-N 1 1 494.644 2.227 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853763 720837928 /nfs/dbraw/zinc/83/79/28/720837928.db2.gz PFFBABDJAUTBKB-DENIHFKCSA-N 1 1 485.610 2.150 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2C1 ZINC001164853764 720837969 /nfs/dbraw/zinc/83/79/69/720837969.db2.gz PFFBABDJAUTBKB-KNQAVFIVSA-N 1 1 485.610 2.150 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748987 720841954 /nfs/dbraw/zinc/84/19/54/720841954.db2.gz VKEWRMHBDZOEBN-NLWGTHIKSA-N 1 1 464.574 2.116 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3cc(C)n4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164849068 720843091 /nfs/dbraw/zinc/84/30/91/720843091.db2.gz BHFFDVSXEHQKMU-SIKLNZKXSA-N 1 1 485.610 2.150 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3cc(C)n4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164849066 720843121 /nfs/dbraw/zinc/84/31/21/720843121.db2.gz BHFFDVSXEHQKMU-KNQAVFIVSA-N 1 1 485.610 2.150 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1=O ZINC001164750237 720843682 /nfs/dbraw/zinc/84/36/82/720843682.db2.gz WUZMSWXYAJPIFY-YQVWRLOYSA-N 1 1 471.009 2.465 20 0 JEADMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCCCCC2)n1 ZINC001164751014 720845967 /nfs/dbraw/zinc/84/59/67/720845967.db2.gz XSCQNTCGEZTNMH-NJDAHSKKSA-N 1 1 467.622 2.232 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC[C@H]2C1 ZINC001164852724 720855528 /nfs/dbraw/zinc/85/55/28/720855528.db2.gz FOSQKDUIIZZOIH-PGRDOPGGSA-N 1 1 470.618 2.422 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164855366 720875819 /nfs/dbraw/zinc/87/58/19/720875819.db2.gz HBTMJAGONQRXGG-PMACEKPBSA-N 1 1 475.659 2.314 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164855381 720876011 /nfs/dbraw/zinc/87/60/11/720876011.db2.gz HBTMJAGONQRXGG-WOJBJXKFSA-N 1 1 475.659 2.314 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164863706 720876593 /nfs/dbraw/zinc/87/65/93/720876593.db2.gz UADHTKUAGNGPHI-ICSRJNTNSA-N 1 1 487.670 2.186 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(OC)c(OC)c4OC)nn3)CC[C@H]2C1 ZINC001164855333 720884860 /nfs/dbraw/zinc/88/48/60/720884860.db2.gz GYZVGDWDXJASSD-LAUBAEHRSA-N 1 1 458.559 2.343 20 0 JEADMO C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2N1C ZINC001164758497 720892112 /nfs/dbraw/zinc/89/21/12/720892112.db2.gz YPIIPPTUZRZKOB-KAWPREARSA-N 1 1 477.613 2.404 20 0 JEADMO CN1CC(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164754001 720896083 /nfs/dbraw/zinc/89/60/83/720896083.db2.gz ICJSXCZJQNPLMP-NLFFAJNJSA-N 1 1 463.586 2.015 20 0 JEADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755400 720897550 /nfs/dbraw/zinc/89/75/50/720897550.db2.gz LVVAGASNMWWIDN-RBJSKKJNSA-N 1 1 490.652 2.277 20 0 JEADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755400 720897552 /nfs/dbraw/zinc/89/75/52/720897552.db2.gz LVVAGASNMWWIDN-RBJSKKJNSA-N 1 1 490.652 2.277 20 0 JEADMO Cc1cc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C(=O)NC2=O ZINC001164755013 720909285 /nfs/dbraw/zinc/90/92/85/720909285.db2.gz XUPQMICNPCEBKM-FNZWTVRRSA-N 1 1 461.566 2.424 20 0 JEADMO CCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164750141 720922819 /nfs/dbraw/zinc/92/28/19/720922819.db2.gz JJQQCPWFDLBHTB-SQJMNOBHSA-N 1 1 450.587 2.376 20 0 JEADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)C1=O ZINC001164749023 720942535 /nfs/dbraw/zinc/94/25/35/720942535.db2.gz HJWLTMWDTVQNQA-QHCPKHFHSA-N 1 1 496.077 2.041 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858121 720982930 /nfs/dbraw/zinc/98/29/30/720982930.db2.gz HDNHHRVVNKHNOL-QGZVFWFLSA-N 1 1 457.579 2.108 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164756153 720992090 /nfs/dbraw/zinc/99/20/90/720992090.db2.gz FWKBMFXATKIQHS-RRPUWOKSSA-N 1 1 450.587 2.147 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164756153 720992104 /nfs/dbraw/zinc/99/21/04/720992104.db2.gz FWKBMFXATKIQHS-RRPUWOKSSA-N 1 1 450.587 2.147 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164765287 721091270 /nfs/dbraw/zinc/09/12/70/721091270.db2.gz IVNJODVDPFOBCB-DLBZAZTESA-N 1 1 467.952 2.203 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ccn5S(=O)(=O)c4ccccc4)C[C@@H]3C2)cn1 ZINC001164768158 721105739 /nfs/dbraw/zinc/10/57/39/721105739.db2.gz NNBZAAGCMJRMMD-UXHICEINSA-N 1 1 477.594 2.360 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Oc5ccc(S(C)(=O)=O)cc5)n4)C[C@H]3C2)cn1 ZINC001164767659 721178450 /nfs/dbraw/zinc/17/84/50/721178450.db2.gz KITOKLHVPQWQTK-RBUKOAKNSA-N 1 1 468.583 2.364 20 0 JEADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1N1CCOCC1 ZINC001164870938 721197614 /nfs/dbraw/zinc/19/76/14/721197614.db2.gz XPOZLNBVKXTOJL-SJORKVTESA-N 1 1 465.385 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)C[C@@H]3C2)cn1 ZINC001164769868 721249684 /nfs/dbraw/zinc/24/96/84/721249684.db2.gz ZWNJOHLKKRDDHP-CVEARBPZSA-N 1 1 452.390 2.312 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164874976 721258759 /nfs/dbraw/zinc/25/87/59/721258759.db2.gz KXUACCUQSDTFOB-PXDATVDWSA-N 1 1 450.587 2.176 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3CCN(Cc3ccccc3)C4)CC2)C1 ZINC001164869380 721271176 /nfs/dbraw/zinc/27/11/76/721271176.db2.gz MTCHTBRNGQWVTF-UHFFFAOYSA-N 1 1 478.641 2.042 20 0 JEADMO CCOc1cc2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2cc1OCC ZINC001164868892 721274217 /nfs/dbraw/zinc/27/42/17/721274217.db2.gz FZBCBURFLLXQTH-UHFFFAOYSA-N 1 1 471.602 2.434 20 0 JEADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164873380 721276849 /nfs/dbraw/zinc/27/68/49/721276849.db2.gz LRWBAULKCQVHGW-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)C1 ZINC001164872467 721283765 /nfs/dbraw/zinc/28/37/65/721283765.db2.gz DPIZRCINBPNENR-UHFFFAOYSA-N 1 1 477.609 2.292 20 0 JEADMO Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164879072 721290074 /nfs/dbraw/zinc/29/00/74/721290074.db2.gz UNUIEYWDNAVRHB-UHFFFAOYSA-N 1 1 466.586 2.044 20 0 JEADMO COc1ccc(CN(C)c2ccnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)n2)cc1 ZINC001164873782 721291420 /nfs/dbraw/zinc/29/14/20/721291420.db2.gz AFUDDVNJSNZOGQ-UHFFFAOYSA-N 1 1 482.629 2.129 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782194 721358018 /nfs/dbraw/zinc/35/80/18/721358018.db2.gz LAKKZPMBQOWWSR-JOCHJYFZSA-N 1 1 463.604 2.104 20 0 JEADMO CCNS(=O)(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782194 721358024 /nfs/dbraw/zinc/35/80/24/721358024.db2.gz LAKKZPMBQOWWSR-JOCHJYFZSA-N 1 1 463.604 2.104 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC(C)C)cn3)C2)C1 ZINC001164780283 721366560 /nfs/dbraw/zinc/36/65/60/721366560.db2.gz FMXPSRBNYFIIST-HSZRJFAPSA-N 1 1 477.631 2.492 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC(C)C)cn3)C2)C1 ZINC001164780283 721366562 /nfs/dbraw/zinc/36/65/62/721366562.db2.gz FMXPSRBNYFIIST-HSZRJFAPSA-N 1 1 477.631 2.492 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164781408 721370015 /nfs/dbraw/zinc/37/00/15/721370015.db2.gz JBNOGFNLTLAZGN-RUZDIDTESA-N 1 1 484.601 2.109 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCOCC4)nn3)C2)C1 ZINC001164781408 721370019 /nfs/dbraw/zinc/37/00/19/721370019.db2.gz JBNOGFNLTLAZGN-RUZDIDTESA-N 1 1 484.601 2.109 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H](NC(=O)c4cccnc4)[C@@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164780338 721381891 /nfs/dbraw/zinc/38/18/91/721381891.db2.gz GBXAWUJYVNNCOH-BPUDTRNYSA-N 1 1 451.571 2.363 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891028 721406019 /nfs/dbraw/zinc/40/60/19/721406019.db2.gz VASPZTZBUJHURS-VGOFRKELSA-N 1 1 451.999 2.001 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)C3)O2)CC1 ZINC001164886701 721407654 /nfs/dbraw/zinc/40/76/54/721407654.db2.gz KTQHPJBSJHVMGR-IBVKSMDESA-N 1 1 464.614 2.128 20 0 JEADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884720 721420401 /nfs/dbraw/zinc/42/04/01/721420401.db2.gz FKBVAUQTRJVOKO-PXDATVDWSA-N 1 1 451.619 2.370 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164899817 721430904 /nfs/dbraw/zinc/43/09/04/721430904.db2.gz ZFVVSMPZHZYBER-IVZQSRNASA-N 1 1 462.982 2.163 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1C ZINC001164896525 721430931 /nfs/dbraw/zinc/43/09/31/721430931.db2.gz RLGKKDJUBKGSME-HJPURHCSSA-N 1 1 477.009 2.174 20 0 JEADMO COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(N2CCCCCC2)n1 ZINC001164898284 721432294 /nfs/dbraw/zinc/43/22/94/721432294.db2.gz VOVZEXANYVGKLF-HYBUGGRVSA-N 1 1 459.639 2.026 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C3)O2)CC1 ZINC001164891539 721434117 /nfs/dbraw/zinc/43/41/17/721434117.db2.gz GWIKTQRIWZDDSJ-ZJSXRUAMSA-N 1 1 477.675 2.022 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)C3)O2)CC1 ZINC001164896652 721435403 /nfs/dbraw/zinc/43/54/03/721435403.db2.gz RRINDYAPPQMJSX-KUHUBIRLSA-N 1 1 455.941 2.268 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)C3)O2)CC1 ZINC001164896649 721435879 /nfs/dbraw/zinc/43/58/79/721435879.db2.gz RRINDYAPPQMJSX-IFXJQAMLSA-N 1 1 455.941 2.268 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893653 721437415 /nfs/dbraw/zinc/43/74/15/721437415.db2.gz JVEABADFKAXRSU-YKSBVNFPSA-N 1 1 479.691 2.314 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164784504 721454829 /nfs/dbraw/zinc/45/48/29/721454829.db2.gz FTVPGDDJBDGABW-LJQANCHMSA-N 1 1 481.041 2.096 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164892065 721458193 /nfs/dbraw/zinc/45/81/93/721458193.db2.gz WJEUMFJHTDIHJI-QGQQZZQASA-N 1 1 499.656 2.143 20 0 JEADMO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164787150 721473492 /nfs/dbraw/zinc/47/34/92/721473492.db2.gz CSNOSLBSGOGIGT-QGZVFWFLSA-N 1 1 451.999 2.224 20 0 JEADMO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]12)N1CCCO1 ZINC001164789076 721480843 /nfs/dbraw/zinc/48/08/43/721480843.db2.gz ASYXNJBIPMQDSG-BKULYWANSA-N 1 1 463.582 2.430 20 0 JEADMO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]12)N1CCCO1 ZINC001164789076 721480847 /nfs/dbraw/zinc/48/08/47/721480847.db2.gz ASYXNJBIPMQDSG-BKULYWANSA-N 1 1 463.582 2.430 20 0 JEADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164795086 721498127 /nfs/dbraw/zinc/49/81/27/721498127.db2.gz CUWKPLXKOHIRBC-UHFFFAOYSA-N 1 1 471.627 2.379 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799035 721542270 /nfs/dbraw/zinc/54/22/70/721542270.db2.gz AKQPQHDREPKJBC-NLWGTHIKSA-N 1 1 467.599 2.186 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164799035 721542271 /nfs/dbraw/zinc/54/22/71/721542271.db2.gz AKQPQHDREPKJBC-NLWGTHIKSA-N 1 1 467.599 2.186 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164798158 721564391 /nfs/dbraw/zinc/56/43/91/721564391.db2.gz AMQTZOVWZGLJPP-HFMPRLQTSA-N 1 1 466.586 2.129 20 0 JEADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164800298 721598019 /nfs/dbraw/zinc/59/80/19/721598019.db2.gz OQPRKWIIHAFSLA-ZTCOLXNVSA-N 1 1 456.550 2.064 20 0 JEADMO FC1(F)CCN(c2nc(N3CCOCC3)nc3c2CCN3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906093 721696940 /nfs/dbraw/zinc/69/69/40/721696940.db2.gz LDDKPKICBCXUIU-HSZRJFAPSA-N 1 1 471.556 2.414 20 0 JEADMO c1nc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1-c1ccccc1 ZINC001164914528 721798518 /nfs/dbraw/zinc/79/85/18/721798518.db2.gz OOJNJJWMPVBCEX-VWLOTQADSA-N 1 1 457.538 2.318 20 0 JEADMO c1nc2c(ncnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1-c1ccccc1 ZINC001164914528 721798521 /nfs/dbraw/zinc/79/85/21/721798521.db2.gz OOJNJJWMPVBCEX-VWLOTQADSA-N 1 1 457.538 2.318 20 0 JEADMO COc1cc(OC)c2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164914706 721800851 /nfs/dbraw/zinc/80/08/51/721800851.db2.gz QPMINSZVCHNJAH-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc(OC)c2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164914706 721800852 /nfs/dbraw/zinc/80/08/52/721800852.db2.gz QPMINSZVCHNJAH-DEOSSOPVSA-N 1 1 451.527 2.150 20 0 JEADMO Cn1cnc2c1nc(N1C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C1)nc2N1CCOCC1 ZINC001165023287 721807151 /nfs/dbraw/zinc/80/71/51/721807151.db2.gz JANNSEKGSGPEGT-CEWLAPEOSA-N 1 1 462.602 2.332 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCOCC3)C[C@@H]21 ZINC001165018991 721818589 /nfs/dbraw/zinc/81/85/89/721818589.db2.gz BIWFWEICGWUCBH-BAGYTPMASA-N 1 1 471.627 2.234 20 0 JEADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)c12 ZINC001164927307 721825011 /nfs/dbraw/zinc/82/50/11/721825011.db2.gz ZWSWYLAREVERPF-JOCHJYFZSA-N 1 1 472.571 2.007 20 0 JEADMO COCCN1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164919697 721842276 /nfs/dbraw/zinc/84/22/76/721842276.db2.gz CLGIWXUOSZKZMC-LADGPHEKSA-N 1 1 450.583 2.340 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164923739 721874520 /nfs/dbraw/zinc/87/45/20/721874520.db2.gz KDBBHORKESSQNE-NHCUHLMSSA-N 1 1 459.616 2.496 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164923158 721874919 /nfs/dbraw/zinc/87/49/19/721874919.db2.gz IUGSSGRROMKLEB-WJFTUGDTSA-N 1 1 477.604 2.440 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164923158 721874921 /nfs/dbraw/zinc/87/49/21/721874921.db2.gz IUGSSGRROMKLEB-WJFTUGDTSA-N 1 1 477.604 2.440 20 0 JEADMO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955335 722008732 /nfs/dbraw/zinc/00/87/32/722008732.db2.gz USTKVFUVRKJHCQ-NBGIEHNGSA-N 1 1 450.587 2.434 20 0 JEADMO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955335 722008734 /nfs/dbraw/zinc/00/87/34/722008734.db2.gz USTKVFUVRKJHCQ-NBGIEHNGSA-N 1 1 450.587 2.434 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164968491 722079399 /nfs/dbraw/zinc/07/93/99/722079399.db2.gz BROMTXJWNZPPHV-LMKMVOKYSA-N 1 1 482.654 2.339 20 0 JEADMO CC(=O)N1CCC[C@]2(C1)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CCO2 ZINC001164968814 722083860 /nfs/dbraw/zinc/08/38/60/722083860.db2.gz HQFKBYDSACLILP-FNZWTVRRSA-N 1 1 487.645 2.098 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980543 722114357 /nfs/dbraw/zinc/11/43/57/722114357.db2.gz RSZLJFNECWEUQN-LAUBAEHRSA-N 1 1 451.527 2.480 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164975213 722128725 /nfs/dbraw/zinc/12/87/25/722128725.db2.gz FSSFPQJWZOZAIM-XZOQPEGZSA-N 1 1 480.613 2.378 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979579 722134802 /nfs/dbraw/zinc/13/48/02/722134802.db2.gz LIJZEKMCJDCMEA-CRAIPNDOSA-N 1 1 487.960 2.050 20 0 JEADMO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164992306 722188507 /nfs/dbraw/zinc/18/85/07/722188507.db2.gz ZTMQTKBBDMULAN-UHFFFAOYSA-N 1 1 471.605 2.495 20 0 JEADMO COc1cc2nc(Cl)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1OC ZINC001164996426 722232244 /nfs/dbraw/zinc/23/22/44/722232244.db2.gz GZEPASLAQXHZOM-UHFFFAOYSA-N 1 1 469.977 2.447 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997816 722234043 /nfs/dbraw/zinc/23/40/43/722234043.db2.gz WYQYGOPTNCUDOY-UHFFFAOYSA-N 1 1 467.961 2.217 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)CC1 ZINC001165001499 722237503 /nfs/dbraw/zinc/23/75/03/722237503.db2.gz HSTPGGVEKPNAGV-UHFFFAOYSA-N 1 1 459.554 2.062 20 0 JEADMO COc1ccc(OC)c(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)c1 ZINC001165002785 722238816 /nfs/dbraw/zinc/23/88/16/722238816.db2.gz YWKKSHUVQSIQBZ-UHFFFAOYSA-N 1 1 461.570 2.308 20 0 JEADMO O=C(NC[C@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1)c1ccnnc1 ZINC001165005940 722240990 /nfs/dbraw/zinc/24/09/90/722240990.db2.gz WGXNBMKXPBNLKF-NRFANRHFSA-N 1 1 495.591 2.088 20 0 JEADMO O=C(NC[C@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1)c1ccnnc1 ZINC001165005940 722240991 /nfs/dbraw/zinc/24/09/91/722240991.db2.gz WGXNBMKXPBNLKF-NRFANRHFSA-N 1 1 495.591 2.088 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5CCCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421530 718901047 /nfs/dbraw/zinc/90/10/47/718901047.db2.gz TYXVIADSTHCLQA-WIYYLYMNSA-N 1 1 472.659 2.281 20 0 JEADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164435105 718977775 /nfs/dbraw/zinc/97/77/75/718977775.db2.gz ZBDMPQJPTJPUDU-JCWFFFCVSA-N 1 1 488.629 2.429 20 0 JEADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164435105 718977784 /nfs/dbraw/zinc/97/77/84/718977784.db2.gz ZBDMPQJPTJPUDU-JCWFFFCVSA-N 1 1 488.629 2.429 20 0 JEADMO O=C(c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCS(=O)(=O)CC1 ZINC001164621749 719103634 /nfs/dbraw/zinc/10/36/34/719103634.db2.gz ASKCVFYOTYVOAH-FCHUYYIVSA-N 1 1 454.596 2.053 20 0 JEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C[C@H]2CCCO[C@@H]21 ZINC001164651340 719320978 /nfs/dbraw/zinc/32/09/78/719320978.db2.gz GXZXQGUEDYNVCZ-OAOOKAIFSA-N 1 1 455.559 2.265 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCc4c(c(COc5cccnc5)nn4CC4CC4)C3)n2)CC1 ZINC001164653856 719323479 /nfs/dbraw/zinc/32/34/79/719323479.db2.gz IQAIBEYSJHHCLJ-UHFFFAOYSA-N 1 1 460.586 2.372 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164685857 719726329 /nfs/dbraw/zinc/72/63/29/719726329.db2.gz NRTSELDAHUNOTM-UHFFFAOYSA-N 1 1 450.591 2.105 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)CC2 ZINC001164689830 719748142 /nfs/dbraw/zinc/74/81/42/719748142.db2.gz LANZPKJVNSJGNZ-UHFFFAOYSA-N 1 1 479.553 2.341 20 0 JEADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(c(N5CCOCC5)n2)CNC4)CC3)cs1 ZINC001164691314 719812719 /nfs/dbraw/zinc/81/27/19/719812719.db2.gz FSPJSLLNVZFLSJ-UHFFFAOYSA-N 1 1 455.632 2.316 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c21 ZINC001164700878 719839002 /nfs/dbraw/zinc/83/90/02/719839002.db2.gz KZUAJHWZFUAEQV-CRICUBBOSA-N 1 1 481.553 2.292 20 0 JEADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164704721 719855156 /nfs/dbraw/zinc/85/51/56/719855156.db2.gz SMEQJRITQQPCAH-OSPHWJPCSA-N 1 1 473.574 2.211 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164811034 720133612 /nfs/dbraw/zinc/13/36/12/720133612.db2.gz KOWAWRGFHHEADL-KSFYIVLOSA-N 1 1 462.982 2.228 20 0 JEADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711717 720138344 /nfs/dbraw/zinc/13/83/44/720138344.db2.gz IJANGSPCFCDICA-TYFQNXAESA-N 1 1 487.626 2.293 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nn2)C1 ZINC001164815057 720171516 /nfs/dbraw/zinc/17/15/16/720171516.db2.gz HQBZDCANNKWXSB-CZSZKKDXSA-N 1 1 457.619 2.441 20 0 JEADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720234958 /nfs/dbraw/zinc/23/49/58/720234958.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 1 1 463.626 2.305 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1S(=O)(=O)N1CCCCC1)CCC2 ZINC001164814528 720240916 /nfs/dbraw/zinc/24/09/16/720240916.db2.gz XDCZNUJTUNRFEI-UHFFFAOYSA-N 1 1 474.631 2.063 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CCC2 ZINC001164818038 720247273 /nfs/dbraw/zinc/24/72/73/720247273.db2.gz WTFUHOKUBNKZNC-UHFFFAOYSA-N 1 1 489.976 2.491 20 0 JEADMO CCOc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2cc1OCC ZINC001164718717 720250495 /nfs/dbraw/zinc/25/04/95/720250495.db2.gz HKVXMPCVACGZSB-XMMPIXPASA-N 1 1 457.575 2.092 20 0 JEADMO CCOc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2cc1OCC ZINC001164718717 720250506 /nfs/dbraw/zinc/25/05/06/720250506.db2.gz HKVXMPCVACGZSB-XMMPIXPASA-N 1 1 457.575 2.092 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842167 720578257 /nfs/dbraw/zinc/57/82/57/720578257.db2.gz XBJISLSDDBKPEX-KCZVDYSFSA-N 1 1 483.617 2.064 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164745704 720610817 /nfs/dbraw/zinc/61/08/17/720610817.db2.gz VOWQKJAGPOJYTG-DLBZAZTESA-N 1 1 459.510 2.191 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837767 720625999 /nfs/dbraw/zinc/62/59/99/720625999.db2.gz JIBKQDAGKYHKDF-JAXLGGSGSA-N 1 1 458.632 2.440 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744430 720643101 /nfs/dbraw/zinc/64/31/01/720643101.db2.gz SEYKYLHDZGIZSV-GJZGRUSLSA-N 1 1 451.909 2.407 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744430 720643113 /nfs/dbraw/zinc/64/31/13/720643113.db2.gz SEYKYLHDZGIZSV-GJZGRUSLSA-N 1 1 451.909 2.407 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836962 720644562 /nfs/dbraw/zinc/64/45/62/720644562.db2.gz AKJCYJRTPXASGV-HLLBOEOZSA-N 1 1 450.996 2.034 20 0 JEADMO Cc1cc2c(ncnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164746252 720652252 /nfs/dbraw/zinc/65/22/52/720652252.db2.gz WKFNCVUCHNWURY-MOPGFXCFSA-N 1 1 491.577 2.109 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164736765 720695392 /nfs/dbraw/zinc/69/53/92/720695392.db2.gz BAKOLUREFXJFJJ-SFHLNBCPSA-N 1 1 478.601 2.113 20 0 JEADMO CN(C)C(=O)c1cc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164740120 720697216 /nfs/dbraw/zinc/69/72/16/720697216.db2.gz QFCJGIUVRFJWQY-VQTJNVASSA-N 1 1 476.585 2.380 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741022 720699112 /nfs/dbraw/zinc/69/91/12/720699112.db2.gz RVKNJJAUZLEMIX-SJORKVTESA-N 1 1 451.531 2.110 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164840915 720717938 /nfs/dbraw/zinc/71/79/38/720717938.db2.gz SMCCSSYYBQBXSZ-QHCPKHFHSA-N 1 1 498.649 2.212 20 0 JEADMO COc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001164838342 720724941 /nfs/dbraw/zinc/72/49/41/720724941.db2.gz IDHAQCNYKREGLE-OAQYLSRUSA-N 1 1 490.612 2.357 20 0 JEADMO c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164739948 720761720 /nfs/dbraw/zinc/76/17/20/720761720.db2.gz KASOSBKVZRBQMV-ROUUACIJSA-N 1 1 493.637 2.144 20 0 JEADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164740407 720762249 /nfs/dbraw/zinc/76/22/49/720762249.db2.gz KVTXGMJXLNTSKN-OALUTQOASA-N 1 1 481.626 2.272 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164846559 720802870 /nfs/dbraw/zinc/80/28/70/720802870.db2.gz JIZRQKAHQIUCFQ-NWZJSZKRSA-N 1 1 499.656 2.000 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164737708 720825002 /nfs/dbraw/zinc/82/50/02/720825002.db2.gz CEUKTIZJNIPHOI-OKZBNKHCSA-N 1 1 459.982 2.207 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164737707 720825079 /nfs/dbraw/zinc/82/50/79/720825079.db2.gz CEUKTIZJNIPHOI-KZNAEPCWSA-N 1 1 459.982 2.207 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748988 720841631 /nfs/dbraw/zinc/84/16/31/720841631.db2.gz VKEWRMHBDZOEBN-QWFCFKBJSA-N 1 1 464.574 2.116 20 0 JEADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744597 720845558 /nfs/dbraw/zinc/84/55/58/720845558.db2.gz KUOAAQQHSUEAIH-FSSWDIPSSA-N 1 1 478.649 2.043 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)C1 ZINC001164747994 720848396 /nfs/dbraw/zinc/84/83/96/720848396.db2.gz SCWUATLCMZMIOK-BXXSPATCSA-N 1 1 494.644 2.227 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1)N1CCOCC1 ZINC001164748390 720849667 /nfs/dbraw/zinc/84/96/67/720849667.db2.gz UQOJTQXWISPZSN-JAXLGGSGSA-N 1 1 486.020 2.178 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC[C@H]2C1 ZINC001164852614 720853939 /nfs/dbraw/zinc/85/39/39/720853939.db2.gz DUKFXTNTYWMFML-BBWFWOEESA-N 1 1 450.971 2.352 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)CC[C@@H]2C1 ZINC001164852615 720854389 /nfs/dbraw/zinc/85/43/89/720854389.db2.gz DUKFXTNTYWMFML-BRWVUGGUSA-N 1 1 450.971 2.352 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164851561 720854874 /nfs/dbraw/zinc/85/48/74/720854874.db2.gz AYNYXJRDTXTPCN-WMQCIHAUSA-N 1 1 458.607 2.130 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1C(=O)OCC ZINC001164743893 720861168 /nfs/dbraw/zinc/86/11/68/720861168.db2.gz ATCPSVHHPYITKY-WOIUINJBSA-N 1 1 482.585 2.406 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC[C@@H]2C1 ZINC001164854051 720863249 /nfs/dbraw/zinc/86/32/49/720863249.db2.gz INGLVINHAOWWEU-KNQAVFIVSA-N 1 1 453.591 2.097 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001164851545 720865053 /nfs/dbraw/zinc/86/50/53/720865053.db2.gz ATBSLQGQRCCAFT-RSXGOPAZSA-N 1 1 493.652 2.213 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754951 720873315 /nfs/dbraw/zinc/87/33/15/720873315.db2.gz UVDBNQCNAKNQHX-IGKIAQTJSA-N 1 1 477.657 2.379 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754951 720873318 /nfs/dbraw/zinc/87/33/18/720873318.db2.gz UVDBNQCNAKNQHX-IGKIAQTJSA-N 1 1 477.657 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164863710 720876383 /nfs/dbraw/zinc/87/63/83/720876383.db2.gz UADHTKUAGNGPHI-QUCCMNQESA-N 1 1 487.670 2.186 20 0 JEADMO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@H]2C1 ZINC001164863880 720882397 /nfs/dbraw/zinc/88/23/97/720882397.db2.gz UVNMMOCMFUXAKW-PXNSSMCTSA-N 1 1 464.563 2.195 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@H]2C1 ZINC001164863880 720882398 /nfs/dbraw/zinc/88/23/98/720882398.db2.gz UVNMMOCMFUXAKW-PXNSSMCTSA-N 1 1 464.563 2.195 20 0 JEADMO NC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755933 720883428 /nfs/dbraw/zinc/88/34/28/720883428.db2.gz NLIGFCGFXQRXGA-MBSDFSHPSA-N 1 1 456.978 2.379 20 0 JEADMO C[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2N1C ZINC001164758498 720891697 /nfs/dbraw/zinc/89/16/97/720891697.db2.gz YPIIPPTUZRZKOB-OFUUFJSKSA-N 1 1 477.613 2.404 20 0 JEADMO Cc1cc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C(=O)NC2=O ZINC001164755021 720909462 /nfs/dbraw/zinc/90/94/62/720909462.db2.gz XUPQMICNPCEBKM-RXFWQSSRSA-N 1 1 461.566 2.424 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164756151 720991217 /nfs/dbraw/zinc/99/12/17/720991217.db2.gz FWKBMFXATKIQHS-LSWJPFSZSA-N 1 1 450.587 2.147 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164756151 720991226 /nfs/dbraw/zinc/99/12/26/720991226.db2.gz FWKBMFXATKIQHS-LSWJPFSZSA-N 1 1 450.587 2.147 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863310 721101524 /nfs/dbraw/zinc/10/15/24/721101524.db2.gz BMBZCHQEZKURDD-IRXDYDNUSA-N 1 1 465.385 2.495 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863310 721101536 /nfs/dbraw/zinc/10/15/36/721101536.db2.gz BMBZCHQEZKURDD-IRXDYDNUSA-N 1 1 465.385 2.495 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164865921 721119571 /nfs/dbraw/zinc/11/95/71/721119571.db2.gz PTUBFUTWWSYXBL-WOJBJXKFSA-N 1 1 477.521 2.355 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869725 721164413 /nfs/dbraw/zinc/16/44/13/721164413.db2.gz AGDXNBDSAWATGF-LEWJYISDSA-N 1 1 457.600 2.131 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Oc5ccc(S(C)(=O)=O)cc5)n4)C[C@H]3C2)cn1 ZINC001164767661 721178620 /nfs/dbraw/zinc/17/86/20/721178620.db2.gz KITOKLHVPQWQTK-RTBURBONSA-N 1 1 468.583 2.364 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5ccn(S(=O)(=O)c6ccccc6)c5n4)C[C@H]3C2)cn1 ZINC001164774432 721187022 /nfs/dbraw/zinc/18/70/22/721187022.db2.gz ZEHAKAXIZAPUAY-NHCUHLMSSA-N 1 1 477.594 2.360 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3ncn4Cc3ccccc3F)CC2)C1 ZINC001164875605 721276726 /nfs/dbraw/zinc/27/67/26/721276726.db2.gz XOMCPZDUOYVMJN-UHFFFAOYSA-N 1 1 481.576 2.021 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)C1 ZINC001164874911 721285938 /nfs/dbraw/zinc/28/59/38/721285938.db2.gz FDLWZXUZJVFODG-UHFFFAOYSA-N 1 1 457.953 2.171 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)C1 ZINC001164878492 721286713 /nfs/dbraw/zinc/28/67/13/721286713.db2.gz QRQDVTURRLVCAU-UHFFFAOYSA-N 1 1 478.037 2.368 20 0 JEADMO COC(=O)c1cc2c(ncnc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1S(=O)(=O)c1ccccc1 ZINC001164768092 721295186 /nfs/dbraw/zinc/29/51/86/721295186.db2.gz FHGQRMFLPYNQTF-UHFFFAOYSA-N 1 1 481.578 2.377 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCOCC4)nc4c3CCN4)C2)C1 ZINC001164777701 721342663 /nfs/dbraw/zinc/34/26/63/721342663.db2.gz HOTVGLDTJOLFLP-RUZDIDTESA-N 1 1 483.617 2.005 20 0 JEADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778257 721342813 /nfs/dbraw/zinc/34/28/13/721342813.db2.gz LTGPKNJHTWGXJR-QFIPXVFZSA-N 1 1 476.603 2.494 20 0 JEADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778257 721342818 /nfs/dbraw/zinc/34/28/18/721342818.db2.gz LTGPKNJHTWGXJR-QFIPXVFZSA-N 1 1 476.603 2.494 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(CN4C(=O)CCC4=O)cn3)C2)C1 ZINC001164780023 721359410 /nfs/dbraw/zinc/35/94/10/721359410.db2.gz CGWAUNSBBQFCBL-VWLOTQADSA-N 1 1 467.570 2.454 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(-n4ccccc4=O)n3)C2)C1 ZINC001164782199 721368343 /nfs/dbraw/zinc/36/83/43/721368343.db2.gz LAOCMVSQMUEJFY-DEOSSOPVSA-N 1 1 450.543 2.351 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(-n4ccccc4=O)n3)C2)C1 ZINC001164782199 721368348 /nfs/dbraw/zinc/36/83/48/721368348.db2.gz LAOCMVSQMUEJFY-DEOSSOPVSA-N 1 1 450.543 2.351 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC(C)=O ZINC001164893107 721425635 /nfs/dbraw/zinc/42/56/35/721425635.db2.gz JAHXNTMGKYFOJK-IBVKSMDESA-N 1 1 497.596 2.246 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164899820 721430796 /nfs/dbraw/zinc/43/07/96/721430796.db2.gz ZFVVSMPZHZYBER-QRQCRPRQSA-N 1 1 462.982 2.163 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164898675 721437251 /nfs/dbraw/zinc/43/72/51/721437251.db2.gz WKBZSWZJKYWHET-URXFXBBRSA-N 1 1 479.691 2.171 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893730 721437391 /nfs/dbraw/zinc/43/73/91/721437391.db2.gz KDUVTSVHZLTSHW-ZJSXRUAMSA-N 1 1 479.691 2.314 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)C3)O2)CC1 ZINC001164888463 721452029 /nfs/dbraw/zinc/45/20/29/721452029.db2.gz MKDIFQUDDKLHPJ-SPEDKVCISA-N 1 1 451.999 2.063 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164892066 721458150 /nfs/dbraw/zinc/45/81/50/721458150.db2.gz WJEUMFJHTDIHJI-QQUTXWOLSA-N 1 1 499.656 2.143 20 0 JEADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789487 721465240 /nfs/dbraw/zinc/46/52/40/721465240.db2.gz NFTXCADETTZFRF-WAUFSOIDSA-N 1 1 494.658 2.125 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164799030 721542501 /nfs/dbraw/zinc/54/25/01/721542501.db2.gz AKQPQHDREPKJBC-GGPKGHCWSA-N 1 1 467.599 2.186 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164799030 721542505 /nfs/dbraw/zinc/54/25/05/721542505.db2.gz AKQPQHDREPKJBC-GGPKGHCWSA-N 1 1 467.599 2.186 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164904004 721548298 /nfs/dbraw/zinc/54/82/98/721548298.db2.gz DXQKKGAPVOALOI-UKRRQHHQSA-N 1 1 476.908 2.408 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)CC1 ZINC001164808841 721566269 /nfs/dbraw/zinc/56/62/69/721566269.db2.gz VXOOOYUVDDLMAF-FKBYEOEOSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164804728 721576406 /nfs/dbraw/zinc/57/64/06/721576406.db2.gz MOXOJFYVEOOSEL-BDTNDASRSA-N 1 1 464.618 2.335 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164804728 721576407 /nfs/dbraw/zinc/57/64/07/721576407.db2.gz MOXOJFYVEOOSEL-BDTNDASRSA-N 1 1 464.618 2.335 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802558 721581163 /nfs/dbraw/zinc/58/11/63/721581163.db2.gz GIGNLYFAZCMLAL-BDTNDASRSA-N 1 1 471.989 2.471 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802558 721581166 /nfs/dbraw/zinc/58/11/66/721581166.db2.gz GIGNLYFAZCMLAL-BDTNDASRSA-N 1 1 471.989 2.471 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)[C@H](C(=O)N2CCOCC2)CCS3(=O)=O)nc1 ZINC001164801339 721605269 /nfs/dbraw/zinc/60/52/69/721605269.db2.gz QEHZENYMLYROPB-ODAXIHTASA-N 1 1 490.670 2.117 20 0 JEADMO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCNCC1 ZINC001164904948 721714503 /nfs/dbraw/zinc/71/45/03/721714503.db2.gz FTRRWJGIWRNFHY-HSZRJFAPSA-N 1 1 456.541 2.260 20 0 JEADMO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCNCC1 ZINC001164904948 721714505 /nfs/dbraw/zinc/71/45/05/721714505.db2.gz FTRRWJGIWRNFHY-HSZRJFAPSA-N 1 1 456.541 2.260 20 0 JEADMO COc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164911356 721773424 /nfs/dbraw/zinc/77/34/24/721773424.db2.gz GKAYIKOBCGZTKQ-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164911356 721773429 /nfs/dbraw/zinc/77/34/29/721773429.db2.gz GKAYIKOBCGZTKQ-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014162 721775646 /nfs/dbraw/zinc/77/56/46/721775646.db2.gz ANYPNAGCXVHNJG-SQHAQQRYSA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014162 721775649 /nfs/dbraw/zinc/77/56/49/721775649.db2.gz ANYPNAGCXVHNJG-SQHAQQRYSA-N 1 1 477.609 2.269 20 0 JEADMO CCOC(=O)c1cc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913612 721779100 /nfs/dbraw/zinc/77/91/00/721779100.db2.gz YLWXJQWWRRZATA-DEOSSOPVSA-N 1 1 451.527 2.242 20 0 JEADMO CCOC(=O)c1cc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913612 721779105 /nfs/dbraw/zinc/77/91/05/721779105.db2.gz YLWXJQWWRRZATA-DEOSSOPVSA-N 1 1 451.527 2.242 20 0 JEADMO COc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c(OC)c1 ZINC001164916999 721786202 /nfs/dbraw/zinc/78/62/02/721786202.db2.gz VCKDDLDYMZDZIR-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO COc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c(OC)c1 ZINC001164916999 721786205 /nfs/dbraw/zinc/78/62/05/721786205.db2.gz VCKDDLDYMZDZIR-XMMPIXPASA-N 1 1 451.527 2.150 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165024672 721791309 /nfs/dbraw/zinc/79/13/09/721791309.db2.gz SMIGLIMGVQYSHZ-SBHAEUEKSA-N 1 1 492.624 2.375 20 0 JEADMO NC(=S)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2sccc21 ZINC001164914725 721801313 /nfs/dbraw/zinc/80/13/13/721801313.db2.gz QXBFQCLUZLUNLN-QFIPXVFZSA-N 1 1 455.609 2.433 20 0 JEADMO NC(=S)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2sccc21 ZINC001164914725 721801314 /nfs/dbraw/zinc/80/13/14/721801314.db2.gz QXBFQCLUZLUNLN-QFIPXVFZSA-N 1 1 455.609 2.433 20 0 JEADMO COCCN1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1=O ZINC001164919698 721842493 /nfs/dbraw/zinc/84/24/93/721842493.db2.gz CLGIWXUOSZKZMC-UPVQGACJSA-N 1 1 450.583 2.340 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164923737 721874554 /nfs/dbraw/zinc/87/45/54/721874554.db2.gz KDBBHORKESSQNE-LEWJYISDSA-N 1 1 459.616 2.496 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929261 721879390 /nfs/dbraw/zinc/87/93/90/721879390.db2.gz AXTHIENHZVKESW-RBUKOAKNSA-N 1 1 456.660 2.227 20 0 JEADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929261 721879392 /nfs/dbraw/zinc/87/93/92/721879392.db2.gz AXTHIENHZVKESW-RBUKOAKNSA-N 1 1 456.660 2.227 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037058 721916075 /nfs/dbraw/zinc/91/60/75/721916075.db2.gz GBCYSWMSJJFYRD-IERDGZPVSA-N 1 1 452.962 2.294 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037057 721916148 /nfs/dbraw/zinc/91/61/48/721916148.db2.gz GBCYSWMSJJFYRD-HRAATJIYSA-N 1 1 452.962 2.294 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCOCC5)nc5c4CCN5)CC3)C2)cc1 ZINC001164939303 721924061 /nfs/dbraw/zinc/92/40/61/721924061.db2.gz HIWBBHBTAZSNEW-UHFFFAOYSA-N 1 1 464.614 2.461 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@@H]5C(N)=O)ncn4)CC3)C2)cc1 ZINC001164939445 721932648 /nfs/dbraw/zinc/93/26/48/721932648.db2.gz LHQZATCTCASQIK-OAQYLSRUSA-N 1 1 450.587 2.111 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CN(S(=O)(=O)N(C)C)CC[C@@H]4C3)c2c1C ZINC001164951271 721989362 /nfs/dbraw/zinc/98/93/62/721989362.db2.gz LRJJHTYJQFMWNP-QZTJIDSGSA-N 1 1 478.688 2.468 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2COC[C@@H]21 ZINC001164961600 722036631 /nfs/dbraw/zinc/03/66/31/722036631.db2.gz LRZPCRDFNPITSA-BKULYWANSA-N 1 1 458.566 2.007 20 0 JEADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2COC[C@@H]21 ZINC001164961600 722036634 /nfs/dbraw/zinc/03/66/34/722036634.db2.gz LRZPCRDFNPITSA-BKULYWANSA-N 1 1 458.566 2.007 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164964871 722068567 /nfs/dbraw/zinc/06/85/67/722068567.db2.gz DKTFYVRBHJYCKD-KDURUIRLSA-N 1 1 453.568 2.276 20 0 JEADMO Cc1cc2c(ncnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1S(=O)(=O)c1ccccc1 ZINC001164965261 722069516 /nfs/dbraw/zinc/06/95/16/722069516.db2.gz GWAUHFYUGRQDNX-KDURUIRLSA-N 1 1 453.568 2.276 20 0 JEADMO CC(C)CN(c1ccc(N2CCN(C)CC2)nn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967654 722078658 /nfs/dbraw/zinc/07/86/58/722078658.db2.gz HVXDEFWGWYCPGL-UHFFFAOYSA-N 1 1 492.672 2.342 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164969695 722079386 /nfs/dbraw/zinc/07/93/86/722079386.db2.gz MIEOOBHELAIDDD-HSZRJFAPSA-N 1 1 456.616 2.221 20 0 JEADMO CC(C)C(=O)N1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@]2(CCCC(=O)N2)C1 ZINC001164974830 722088159 /nfs/dbraw/zinc/08/81/59/722088159.db2.gz RHTAQAJSECIFOW-HHHXNRCGSA-N 1 1 476.625 2.378 20 0 JEADMO CC(C)C(=O)N1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@]2(CCCC(=O)N2)C1 ZINC001164974830 722088162 /nfs/dbraw/zinc/08/81/62/722088162.db2.gz RHTAQAJSECIFOW-HHHXNRCGSA-N 1 1 476.625 2.378 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974286 722140795 /nfs/dbraw/zinc/14/07/95/722140795.db2.gz DFYATSNCHUREDB-IFMALSPDSA-N 1 1 459.616 2.234 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2C1 ZINC001164976143 722142482 /nfs/dbraw/zinc/14/24/82/722142482.db2.gz HKWUAZAJGHKAJC-SIKLNZKXSA-N 1 1 452.559 2.114 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164978954 722148506 /nfs/dbraw/zinc/14/85/06/722148506.db2.gz LEUVQVXLUUTJCJ-FCHUYYIVSA-N 1 1 471.627 2.379 20 0 JEADMO CC(C)C(=O)NCc1nnc2n1CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164989352 722190111 /nfs/dbraw/zinc/19/01/11/722190111.db2.gz MJEOLEBRPAMXIP-UHFFFAOYSA-N 1 1 460.586 2.309 20 0 JEADMO CC(C)C(=O)NCc1nnc2n1CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164989352 722190113 /nfs/dbraw/zinc/19/01/13/722190113.db2.gz MJEOLEBRPAMXIP-UHFFFAOYSA-N 1 1 460.586 2.309 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCOCC1 ZINC001164996680 722204096 /nfs/dbraw/zinc/20/40/96/722204096.db2.gz VGPGUEGDSGEELZ-HSZRJFAPSA-N 1 1 460.575 2.487 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCOCC1 ZINC001164996680 722204097 /nfs/dbraw/zinc/20/40/97/722204097.db2.gz VGPGUEGDSGEELZ-HSZRJFAPSA-N 1 1 460.575 2.487 20 0 JEADMO O=S(=O)(c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995132 722207486 /nfs/dbraw/zinc/20/74/86/722207486.db2.gz LFTPAEZZDRQWKC-QHCPKHFHSA-N 1 1 460.575 2.487 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CC(C(=O)NCc5ccncc5)=NO4)C3)c2)CC1 ZINC001165000409 722218986 /nfs/dbraw/zinc/21/89/86/722218986.db2.gz XKBDMWPBNCLURI-RUZDIDTESA-N 1 1 464.570 2.381 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c21 ZINC001164997118 722229234 /nfs/dbraw/zinc/22/92/34/722229234.db2.gz QHMADTWZEGMRSG-UHFFFAOYSA-N 1 1 486.580 2.206 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc(Cl)cc(N4CCCC4)n2)CC3)CC1 ZINC001164996419 722230715 /nfs/dbraw/zinc/23/07/15/722230715.db2.gz GJBVDKIYTRXGHQ-UHFFFAOYSA-N 1 1 478.979 2.422 20 0 JEADMO COC(=O)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c2ccccc2c1OC ZINC001165001068 722238535 /nfs/dbraw/zinc/23/85/35/722238535.db2.gz AXCUXGLWTRISEU-UHFFFAOYSA-N 1 1 462.554 2.177 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CCC5(C[C@@H]5CCO)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164393698 718811207 /nfs/dbraw/zinc/81/12/07/718811207.db2.gz TVYRWSITBNLBTM-IBGZPJMESA-N 1 1 486.686 2.264 20 0 JEADMO COC(=O)[C@@H]1CNCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164629724 719135464 /nfs/dbraw/zinc/13/54/64/719135464.db2.gz CQBYQUNFOUPXIM-SFHVURJKSA-N 1 1 470.957 2.348 20 0 JEADMO CN(C)C(=O)CN1CC[C@]2(CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2c2ccccc2)C1=O ZINC001164630602 719143704 /nfs/dbraw/zinc/14/37/04/719143704.db2.gz JPORMNPIAYVSQE-UFHPHHKVSA-N 1 1 491.636 2.465 20 0 JEADMO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2cc(OC4CC[NH+](C)CC4)ccn2)C3)nn1 ZINC001164636791 719266347 /nfs/dbraw/zinc/26/63/47/719266347.db2.gz KCFSVDWGVRRBEX-NLFFAJNJSA-N 1 1 468.602 2.377 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)[nH]c(C)c(C)c-2n1 ZINC001164639055 719276726 /nfs/dbraw/zinc/27/67/26/719276726.db2.gz GZOZXHQAIMPVOQ-UHFFFAOYSA-N 1 1 457.575 2.116 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)[nH]c(C)c(C)c-2n1 ZINC001164639055 719276730 /nfs/dbraw/zinc/27/67/30/719276730.db2.gz GZOZXHQAIMPVOQ-UHFFFAOYSA-N 1 1 457.575 2.116 20 0 JEADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)nc1 ZINC001164655638 719296724 /nfs/dbraw/zinc/29/67/24/719296724.db2.gz ULPOFNWQPRYLQF-BHDDXSALSA-N 1 1 498.653 2.156 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)nc1 ZINC001164655638 719296730 /nfs/dbraw/zinc/29/67/30/719296730.db2.gz ULPOFNWQPRYLQF-BHDDXSALSA-N 1 1 498.653 2.156 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)C2)cc[nH+]1 ZINC001164662884 719357606 /nfs/dbraw/zinc/35/76/06/719357606.db2.gz AQHRYJFXZGKWEI-OAQYLSRUSA-N 1 1 495.962 2.358 20 0 JEADMO CCn1nnc2c1[C@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164662686 719361156 /nfs/dbraw/zinc/36/11/56/719361156.db2.gz DLFUYJGJFSGOOF-ROUUACIJSA-N 1 1 485.633 2.242 20 0 JEADMO CCn1nnc2c1[C@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164662686 719361161 /nfs/dbraw/zinc/36/11/61/719361161.db2.gz DLFUYJGJFSGOOF-ROUUACIJSA-N 1 1 485.633 2.242 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)CC2 ZINC001164682446 719703040 /nfs/dbraw/zinc/70/30/40/719703040.db2.gz DVWVXPWCUWIPKX-UHFFFAOYSA-N 1 1 482.610 2.158 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(/C=C/C(=O)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164686543 719732692 /nfs/dbraw/zinc/73/26/92/719732692.db2.gz PDPYADHUSDGMAI-CSKARUKUSA-N 1 1 471.602 2.433 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164690295 719751392 /nfs/dbraw/zinc/75/13/92/719751392.db2.gz YUNPUMBSJQEQIA-UHFFFAOYSA-N 1 1 450.587 2.161 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)c2)CC1 ZINC001164697157 719820041 /nfs/dbraw/zinc/82/00/41/719820041.db2.gz AEGGJMINPRLKOZ-VEXUSMLFSA-N 1 1 465.598 2.292 20 0 JEADMO COC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)Cc2cn(C)nc21 ZINC001164695382 719832397 /nfs/dbraw/zinc/83/23/97/719832397.db2.gz MFEZWZJZKPYPPN-PKOBYXMFSA-N 1 1 470.618 2.364 20 0 JEADMO COC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)Cc2cn(C)nc21 ZINC001164695382 719832399 /nfs/dbraw/zinc/83/23/99/719832399.db2.gz MFEZWZJZKPYPPN-PKOBYXMFSA-N 1 1 470.618 2.364 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1C ZINC001164700502 719838853 /nfs/dbraw/zinc/83/88/53/719838853.db2.gz KXOABUYPFGGEOR-IVZQSRNASA-N 1 1 462.572 2.409 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704040 719855345 /nfs/dbraw/zinc/85/53/45/719855345.db2.gz QPRVAYUBJTYQBE-QRQCRPRQSA-N 1 1 462.934 2.303 20 0 JEADMO O=S(=O)(c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1)N1CCOCC1 ZINC001164697681 719897824 /nfs/dbraw/zinc/89/78/24/719897824.db2.gz NOUZZKVRTPMICK-UHFFFAOYSA-N 1 1 478.640 2.035 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164718994 720108885 /nfs/dbraw/zinc/10/88/85/720108885.db2.gz UOVZGNJYYRJTDF-NRFANRHFSA-N 1 1 479.629 2.184 20 0 JEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164814236 720151533 /nfs/dbraw/zinc/15/15/33/720151533.db2.gz FDPIAEYJTVDIIB-KSSFIOAISA-N 1 1 464.966 2.112 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C2)C1 ZINC001164720280 720232667 /nfs/dbraw/zinc/23/26/67/720232667.db2.gz UBIZSJMBMSWZFG-DEOSSOPVSA-N 1 1 484.004 2.193 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)C2)C1 ZINC001164720280 720232673 /nfs/dbraw/zinc/23/26/73/720232673.db2.gz UBIZSJMBMSWZFG-DEOSSOPVSA-N 1 1 484.004 2.193 20 0 JEADMO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164812298 720238756 /nfs/dbraw/zinc/23/87/56/720238756.db2.gz DSZBVGKISSJZEY-GOSISDBHSA-N 1 1 476.647 2.356 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164720295 720262800 /nfs/dbraw/zinc/26/28/00/720262800.db2.gz UHPPYTVTVXVJGD-QFIPXVFZSA-N 1 1 452.983 2.355 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164720295 720262825 /nfs/dbraw/zinc/26/28/25/720262825.db2.gz UHPPYTVTVXVJGD-QFIPXVFZSA-N 1 1 452.983 2.355 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164722288 720292673 /nfs/dbraw/zinc/29/26/73/720292673.db2.gz PJQQRDHBDMQGFH-VWLOTQADSA-N 1 1 452.555 2.103 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164722288 720292676 /nfs/dbraw/zinc/29/26/76/720292676.db2.gz PJQQRDHBDMQGFH-VWLOTQADSA-N 1 1 452.555 2.103 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164722806 720300692 /nfs/dbraw/zinc/30/06/92/720300692.db2.gz LVAXLCWEUSPPAC-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164722806 720300696 /nfs/dbraw/zinc/30/06/96/720300696.db2.gz LVAXLCWEUSPPAC-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)C2)C1 ZINC001164723825 720303685 /nfs/dbraw/zinc/30/36/85/720303685.db2.gz PJQXTSBQKCQAKX-DEOSSOPVSA-N 1 1 455.559 2.251 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccc(OC)cc4)nc(C)n3)C2)C1 ZINC001164723825 720303689 /nfs/dbraw/zinc/30/36/89/720303689.db2.gz PJQXTSBQKCQAKX-DEOSSOPVSA-N 1 1 455.559 2.251 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(OCc4cccc(Cl)c4)n3)C2)C1 ZINC001164722870 720304744 /nfs/dbraw/zinc/30/47/44/720304744.db2.gz MPEKEWSTKAZNEF-HSZRJFAPSA-N 1 1 459.978 2.374 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(OCc4cccc(Cl)c4)n3)C2)C1 ZINC001164722870 720304752 /nfs/dbraw/zinc/30/47/52/720304752.db2.gz MPEKEWSTKAZNEF-HSZRJFAPSA-N 1 1 459.978 2.374 20 0 JEADMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(N5CCCC5)nc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164826810 720360312 /nfs/dbraw/zinc/36/03/12/720360312.db2.gz ZKKPLKUAAGXFQO-UHFFFAOYSA-N 1 1 455.632 2.463 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)n2)CC1 ZINC001164724828 720496318 /nfs/dbraw/zinc/49/63/18/720496318.db2.gz IFSDRAQWOIKRSR-CYFREDJKSA-N 1 1 456.566 2.092 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164839451 720524922 /nfs/dbraw/zinc/52/49/22/720524922.db2.gz UPWMOKJODXVUPK-FHWLQOOXSA-N 1 1 468.631 2.497 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842168 720577044 /nfs/dbraw/zinc/57/70/44/720577044.db2.gz XBJISLSDDBKPEX-RZUBCFFCSA-N 1 1 483.617 2.064 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837769 720625842 /nfs/dbraw/zinc/62/58/42/720625842.db2.gz JIBKQDAGKYHKDF-RZUBCFFCSA-N 1 1 458.632 2.440 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739556 720630292 /nfs/dbraw/zinc/63/02/92/720630292.db2.gz FVSHQHBKLZNNCX-RTBURBONSA-N 1 1 491.577 2.109 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741020 720699885 /nfs/dbraw/zinc/69/98/85/720699885.db2.gz RVKNJJAUZLEMIX-IAGOWNOFSA-N 1 1 451.531 2.110 20 0 JEADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743374 720727440 /nfs/dbraw/zinc/72/74/40/720727440.db2.gz PTGQFGDWPPNXGX-UYAOXDASSA-N 1 1 480.594 2.470 20 0 JEADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164745862 720737648 /nfs/dbraw/zinc/73/76/48/720737648.db2.gz WAYYOLOPFIMUAS-SJORKVTESA-N 1 1 470.574 2.490 20 0 JEADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164740679 720812135 /nfs/dbraw/zinc/81/21/35/720812135.db2.gz ABNZJOCSJBGVQG-YQQAZPJKSA-N 1 1 465.936 2.350 20 0 JEADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164742622 720831660 /nfs/dbraw/zinc/83/16/60/720831660.db2.gz QCVBAGDOAXRKEL-IPMKNSEASA-N 1 1 459.982 2.339 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c21 ZINC001164847690 720832768 /nfs/dbraw/zinc/83/27/68/720832768.db2.gz KGBGOFKNUXTXRI-PKOBYXMFSA-N 1 1 453.543 2.233 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164743688 720836134 /nfs/dbraw/zinc/83/61/34/720836134.db2.gz JRQUYZYAZNUMGX-RVKKMQEKSA-N 1 1 470.965 2.369 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853766 720838250 /nfs/dbraw/zinc/83/82/50/720838250.db2.gz PFFBABDJAUTBKB-SIKLNZKXSA-N 1 1 485.610 2.150 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1C ZINC001164747381 720844392 /nfs/dbraw/zinc/84/43/92/720844392.db2.gz QKSYMQXNPTZCOC-LZLYRXPVSA-N 1 1 484.992 2.379 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)N1CCCCC1 ZINC001164747971 720847376 /nfs/dbraw/zinc/84/73/76/720847376.db2.gz SCSLHVANYJLDLD-MQSCRBSSSA-N 1 1 485.658 2.227 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC[C@@H]2C1 ZINC001164852617 720853831 /nfs/dbraw/zinc/85/38/31/720853831.db2.gz DUKFXTNTYWMFML-ZACQAIPSSA-N 1 1 450.971 2.352 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1C(=O)OCC ZINC001164743891 720861133 /nfs/dbraw/zinc/86/11/33/720861133.db2.gz ATCPSVHHPYITKY-NNMXDRDESA-N 1 1 482.585 2.406 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164853528 720869407 /nfs/dbraw/zinc/86/94/07/720869407.db2.gz GWYGQSAABZCNSJ-SIKLNZKXSA-N 1 1 490.626 2.455 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164853528 720869408 /nfs/dbraw/zinc/86/94/08/720869408.db2.gz GWYGQSAABZCNSJ-SIKLNZKXSA-N 1 1 490.626 2.455 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC[C@@H]2C1 ZINC001164856630 720872813 /nfs/dbraw/zinc/87/28/13/720872813.db2.gz IPSLFMLLCHAYQK-YKSBVNFPSA-N 1 1 466.582 2.420 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC[C@H]2C1 ZINC001164856622 720873005 /nfs/dbraw/zinc/87/30/05/720873005.db2.gz IPSLFMLLCHAYQK-GBXCKJPGSA-N 1 1 466.582 2.420 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)CC[C@@H]2C1 ZINC001164853392 720881753 /nfs/dbraw/zinc/88/17/53/720881753.db2.gz CJNQJZOKIRMGGA-IIBYNOLFSA-N 1 1 482.553 2.334 20 0 JEADMO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@H]2C1 ZINC001164863855 720882535 /nfs/dbraw/zinc/88/25/35/720882535.db2.gz UVNMMOCMFUXAKW-FXAWDEMLSA-N 1 1 464.563 2.195 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3S(=O)(=O)Nc3cccc(F)c3)CC[C@H]2C1 ZINC001164863855 720882538 /nfs/dbraw/zinc/88/25/38/720882538.db2.gz UVNMMOCMFUXAKW-FXAWDEMLSA-N 1 1 464.563 2.195 20 0 JEADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(S(C)(=O)=O)n1 ZINC001164755605 720890939 /nfs/dbraw/zinc/89/09/39/720890939.db2.gz MDXOLEILSCXMLZ-HYBUGGRVSA-N 1 1 487.626 2.039 20 0 JEADMO CN1CC(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753996 720895875 /nfs/dbraw/zinc/89/58/75/720895875.db2.gz ICJSXCZJQNPLMP-CPJSRVTESA-N 1 1 463.586 2.015 20 0 JEADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164757768 720897065 /nfs/dbraw/zinc/89/70/65/720897065.db2.gz VOZRFHMYBYIVIA-JYFHCDHNSA-N 1 1 464.614 2.463 20 0 JEADMO Cc1cc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C(=O)NC2=O ZINC001164755016 720908119 /nfs/dbraw/zinc/90/81/19/720908119.db2.gz XUPQMICNPCEBKM-FQRUVTKNSA-N 1 1 461.566 2.424 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164748558 720911220 /nfs/dbraw/zinc/91/12/20/720911220.db2.gz GWVHWRBOGUUXTM-RDGATRHJSA-N 1 1 485.654 2.482 20 0 JEADMO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748437 720913626 /nfs/dbraw/zinc/91/36/26/720913626.db2.gz GDKOGICLDRQNDS-PXDATVDWSA-N 1 1 450.587 2.329 20 0 JEADMO CCNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164750136 720922829 /nfs/dbraw/zinc/92/28/29/720922829.db2.gz JJQQCPWFDLBHTB-OFVILXPXSA-N 1 1 450.587 2.376 20 0 JEADMO COC(=O)c1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1OC ZINC001164754250 720938182 /nfs/dbraw/zinc/93/81/82/720938182.db2.gz VOFWRWAJMHNNAO-CJFMBICVSA-N 1 1 467.570 2.422 20 0 JEADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C(C)(C)c2ccnc(Cl)c2)CC3)C1=O ZINC001164747352 720943932 /nfs/dbraw/zinc/94/39/32/720943932.db2.gz CSQSVBOVZSPDST-OAQYLSRUSA-N 1 1 455.024 2.176 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164756154 720991930 /nfs/dbraw/zinc/99/19/30/720991930.db2.gz FWKBMFXATKIQHS-WPYKKVEZSA-N 1 1 450.587 2.147 20 0 JEADMO CN(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164756154 720991933 /nfs/dbraw/zinc/99/19/33/720991933.db2.gz FWKBMFXATKIQHS-WPYKKVEZSA-N 1 1 450.587 2.147 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861083 721033983 /nfs/dbraw/zinc/03/39/83/721033983.db2.gz AROBHXFFHUKINJ-QHCPKHFHSA-N 1 1 499.982 2.497 20 0 JEADMO COCCOc1cc2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OCCOC ZINC001164762142 721090176 /nfs/dbraw/zinc/09/01/76/721090176.db2.gz CSDFUPKCJRJITJ-LEWJYISDSA-N 1 1 496.612 2.372 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164765298 721092086 /nfs/dbraw/zinc/09/20/86/721092086.db2.gz IVNJODVDPFOBCB-SJORKVTESA-N 1 1 467.952 2.203 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863306 721099861 /nfs/dbraw/zinc/09/98/61/721099861.db2.gz BMBZCHQEZKURDD-DLBZAZTESA-N 1 1 465.385 2.495 20 0 JEADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863306 721099867 /nfs/dbraw/zinc/09/98/67/721099867.db2.gz BMBZCHQEZKURDD-DLBZAZTESA-N 1 1 465.385 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ccn5S(=O)(=O)c4ccccc4)C[C@@H]3C2)cn1 ZINC001164768155 721105217 /nfs/dbraw/zinc/10/52/17/721105217.db2.gz NNBZAAGCMJRMMD-PMACEKPBSA-N 1 1 477.594 2.360 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164865920 721118618 /nfs/dbraw/zinc/11/86/18/721118618.db2.gz PTUBFUTWWSYXBL-VQTJNVASSA-N 1 1 477.521 2.355 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1C ZINC001164881184 721134391 /nfs/dbraw/zinc/13/43/91/721134391.db2.gz ZNWRDXYRSIBKOU-HZPDHXFCSA-N 1 1 456.934 2.283 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)C1 ZINC001164875368 721149889 /nfs/dbraw/zinc/14/98/89/721149889.db2.gz LCCXINLQPASSSS-BHIFYINESA-N 1 1 466.586 2.131 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)C[C@H]3C2)cn1 ZINC001164767277 721151217 /nfs/dbraw/zinc/15/12/17/721151217.db2.gz MFVFTHRICIBWFS-JKSUJKDBSA-N 1 1 452.390 2.312 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877567 721151676 /nfs/dbraw/zinc/15/16/76/721151676.db2.gz OQVHTIIFMFZPPD-RTWAWAEBSA-N 1 1 459.616 2.423 20 0 JEADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164872643 721154010 /nfs/dbraw/zinc/15/40/10/721154010.db2.gz HYPHJBPDTYIISK-WOJBJXKFSA-N 1 1 457.962 2.082 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770072 721201209 /nfs/dbraw/zinc/20/12/09/721201209.db2.gz MWPZTXNZECJILQ-PKTZIBPZSA-N 1 1 458.614 2.495 20 0 JEADMO CNC(=O)[C@]12CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164868503 721204143 /nfs/dbraw/zinc/20/41/43/721204143.db2.gz NHGVZWPFSSXXLH-YIXXDRMTSA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@]12CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164868503 721204149 /nfs/dbraw/zinc/20/41/49/721204149.db2.gz NHGVZWPFSSXXLH-YIXXDRMTSA-N 1 1 484.608 2.046 20 0 JEADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869199 721212818 /nfs/dbraw/zinc/21/28/18/721212818.db2.gz PDOCBYCJJJMIDA-ZBLYBZFDSA-N 1 1 485.592 2.383 20 0 JEADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869199 721212826 /nfs/dbraw/zinc/21/28/26/721212826.db2.gz PDOCBYCJJJMIDA-ZBLYBZFDSA-N 1 1 485.592 2.383 20 0 JEADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869871 721270477 /nfs/dbraw/zinc/27/04/77/721270477.db2.gz RJGDEPLKODKFDW-UHFFFAOYSA-N 1 1 490.004 2.467 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC2)C1 ZINC001164872968 721277696 /nfs/dbraw/zinc/27/76/96/721277696.db2.gz KEYFARVQLOGPQV-UHFFFAOYSA-N 1 1 468.936 2.230 20 0 JEADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164875995 721283611 /nfs/dbraw/zinc/28/36/11/721283611.db2.gz ZXKORUHGZVCUEG-UHFFFAOYSA-N 1 1 489.642 2.492 20 0 JEADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1)C1CC1 ZINC001164874297 721283893 /nfs/dbraw/zinc/28/38/93/721283893.db2.gz PJESNVOPGWQLON-OAQYLSRUSA-N 1 1 458.603 2.145 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)COC(=O)Nc3ccc(Cl)nc3)CC2)C1 ZINC001164877664 721292330 /nfs/dbraw/zinc/29/23/30/721292330.db2.gz NTKPMESUIXYPPP-UHFFFAOYSA-N 1 1 489.951 2.379 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(CN4C(=O)CCC4=O)cn3)C2)C1 ZINC001164780022 721359038 /nfs/dbraw/zinc/35/90/38/721359038.db2.gz CGWAUNSBBQFCBL-RUZDIDTESA-N 1 1 467.570 2.454 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)cc-2n1 ZINC001164892001 721408456 /nfs/dbraw/zinc/40/84/56/721408456.db2.gz XVSJDXBPAWZJFP-MZNJEOGPSA-N 1 1 457.575 2.124 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164892514 721413753 /nfs/dbraw/zinc/41/37/53/721413753.db2.gz YPPHNFRHJPYDDG-VGOFRKELSA-N 1 1 451.999 2.001 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH]1 ZINC001164891929 721420642 /nfs/dbraw/zinc/42/06/42/721420642.db2.gz WRQJCIKKGIRINO-NYHFZMIOSA-N 1 1 462.982 2.163 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C3)O2)CC1 ZINC001164891524 721433827 /nfs/dbraw/zinc/43/38/27/721433827.db2.gz GWIKTQRIWZDDSJ-QPPBQGQZSA-N 1 1 477.675 2.022 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164898680 721437400 /nfs/dbraw/zinc/43/74/00/721437400.db2.gz WKBZSWZJKYWHET-ZJSXRUAMSA-N 1 1 479.691 2.171 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164787678 721452980 /nfs/dbraw/zinc/45/29/80/721452980.db2.gz PJIOWICUNKRKHY-IBGZPJMESA-N 1 1 475.586 2.389 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889689 721453584 /nfs/dbraw/zinc/45/35/84/721453584.db2.gz PFHZOCFRHHXVQA-VGOFRKELSA-N 1 1 451.015 2.035 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164788555 721455659 /nfs/dbraw/zinc/45/56/59/721455659.db2.gz RHMZVRGPLDUCME-SFHVURJKSA-N 1 1 477.631 2.095 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164783240 721455741 /nfs/dbraw/zinc/45/57/41/721455741.db2.gz ARQPVAGSCGBXLO-NRFANRHFSA-N 1 1 486.661 2.015 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164892064 721458135 /nfs/dbraw/zinc/45/81/35/721458135.db2.gz WJEUMFJHTDIHJI-PVSGBFIBSA-N 1 1 499.656 2.143 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164787770 721461906 /nfs/dbraw/zinc/46/19/06/721461906.db2.gz SEESFDONDHCZNA-GOSISDBHSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787770 721461908 /nfs/dbraw/zinc/46/19/08/721461908.db2.gz SEESFDONDHCZNA-GOSISDBHSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787770 721461909 /nfs/dbraw/zinc/46/19/09/721461909.db2.gz SEESFDONDHCZNA-GOSISDBHSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164784637 721462988 /nfs/dbraw/zinc/46/29/88/721462988.db2.gz IXKTZMTXTQRVCS-QFIPXVFZSA-N 1 1 470.614 2.465 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164787128 721465252 /nfs/dbraw/zinc/46/52/52/721465252.db2.gz CNUDBJYVUNBOII-FQEVSTJZSA-N 1 1 471.602 2.489 20 0 JEADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164901292 721524016 /nfs/dbraw/zinc/52/40/16/721524016.db2.gz WKBSOSBRTYSAFZ-FUHWJXTLSA-N 1 1 456.547 2.404 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001164911000 721543893 /nfs/dbraw/zinc/54/38/93/721543893.db2.gz UXVAISIXGRQVSI-PZJWPPBQSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001164910993 721544169 /nfs/dbraw/zinc/54/41/69/721544169.db2.gz UXVAISIXGRQVSI-CTNGQTDRSA-N 1 1 455.534 2.347 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806923 721577824 /nfs/dbraw/zinc/57/78/24/721577824.db2.gz NQGXKPMIWCIOKF-QNWVGRARSA-N 1 1 459.616 2.375 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806923 721577828 /nfs/dbraw/zinc/57/78/28/721577828.db2.gz NQGXKPMIWCIOKF-QNWVGRARSA-N 1 1 459.616 2.375 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)c2c1C ZINC001164802922 721598712 /nfs/dbraw/zinc/59/87/12/721598712.db2.gz UBZZDMUFARZBON-NZSAHSFTSA-N 1 1 479.610 2.328 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)c2c1C ZINC001164802923 721598861 /nfs/dbraw/zinc/59/88/61/721598861.db2.gz UBZZDMUFARZBON-WDSOQIARSA-N 1 1 479.610 2.328 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1 ZINC001164801344 721605262 /nfs/dbraw/zinc/60/52/62/721605262.db2.gz QEHZENYMLYROPB-WBADGQHESA-N 1 1 490.670 2.117 20 0 JEADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)C2 ZINC001164911823 721760481 /nfs/dbraw/zinc/76/04/81/721760481.db2.gz SGZGDWVPAIAYGE-UHFFFAOYSA-N 1 1 483.594 2.285 20 0 JEADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)C2 ZINC001164911823 721760488 /nfs/dbraw/zinc/76/04/88/721760488.db2.gz SGZGDWVPAIAYGE-UHFFFAOYSA-N 1 1 483.594 2.285 20 0 JEADMO CCOC(=O)c1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2s1 ZINC001164916044 721789711 /nfs/dbraw/zinc/78/97/11/721789711.db2.gz OILUBCCGWXTVAM-HSZRJFAPSA-N 1 1 469.567 2.371 20 0 JEADMO CCOC(=O)c1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2s1 ZINC001164916044 721789713 /nfs/dbraw/zinc/78/97/13/721789713.db2.gz OILUBCCGWXTVAM-HSZRJFAPSA-N 1 1 469.567 2.371 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCC(c4nc(-c5ccc(S(C)(=O)=O)cc5)no4)CC3)n2)CC1 ZINC001165033025 721876839 /nfs/dbraw/zinc/87/68/39/721876839.db2.gz LGNWYSVARQSZET-UHFFFAOYSA-N 1 1 483.598 2.066 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932348 721883797 /nfs/dbraw/zinc/88/37/97/721883797.db2.gz IZLLIURKKCDPPH-VQTJNVASSA-N 1 1 451.543 2.375 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932348 721883799 /nfs/dbraw/zinc/88/37/99/721883799.db2.gz IZLLIURKKCDPPH-VQTJNVASSA-N 1 1 451.543 2.375 20 0 JEADMO O=C(CO[C@H]1CO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939134 721917484 /nfs/dbraw/zinc/91/74/84/721917484.db2.gz SEZYAIIRMVTSIS-AMGIVPHBSA-N 1 1 477.609 2.412 20 0 JEADMO O=C(CO[C@H]1CO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939134 721917486 /nfs/dbraw/zinc/91/74/86/721917486.db2.gz SEZYAIIRMVTSIS-AMGIVPHBSA-N 1 1 477.609 2.412 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@@H]32)cn1 ZINC001164961975 722031123 /nfs/dbraw/zinc/03/11/23/722031123.db2.gz WOUQWFQFVPDURQ-SLSDLSHTSA-N 1 1 487.608 2.040 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]32)cn1 ZINC001164961975 722031125 /nfs/dbraw/zinc/03/11/25/722031125.db2.gz WOUQWFQFVPDURQ-SLSDLSHTSA-N 1 1 487.608 2.040 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164971642 722079377 /nfs/dbraw/zinc/07/93/77/722079377.db2.gz WUUJOSGKOXNGBX-RUZDIDTESA-N 1 1 482.654 2.339 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164970800 722079535 /nfs/dbraw/zinc/07/95/35/722079535.db2.gz RYJSBHCXUYUVEA-DEOSSOPVSA-N 1 1 464.595 2.347 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982614 722126973 /nfs/dbraw/zinc/12/69/73/722126973.db2.gz XIYLATMUBSQNCR-ROUUACIJSA-N 1 1 485.976 2.165 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164975212 722129048 /nfs/dbraw/zinc/12/90/48/722129048.db2.gz FSSFPQJWZOZAIM-PKTZIBPZSA-N 1 1 480.613 2.378 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164975211 722129184 /nfs/dbraw/zinc/12/91/84/722129184.db2.gz FSSFPQJWZOZAIM-GOTSBHOMSA-N 1 1 480.613 2.378 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164973972 722158457 /nfs/dbraw/zinc/15/84/57/722158457.db2.gz NPPOPEZKLLTHEK-VIZSFHNOSA-N 1 1 451.571 2.267 20 0 JEADMO CC(=O)NCc1ncn2c1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CCC2 ZINC001165000081 722228108 /nfs/dbraw/zinc/22/81/08/722228108.db2.gz PVNIEKZITJGUMG-LJQANCHMSA-N 1 1 497.644 2.123 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2ncn4[C@@H]2CCCCO2)CC3)CC1 ZINC001164997638 722233167 /nfs/dbraw/zinc/23/31/67/722233167.db2.gz SPPBYYGKUXAZTM-SFHVURJKSA-N 1 1 484.008 2.326 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4ncnc(Cl)c4n2)CC3)CC1 ZINC001164996373 722235128 /nfs/dbraw/zinc/23/51/28/722235128.db2.gz DUPMXXYDKWAMAS-UHFFFAOYSA-N 1 1 460.920 2.370 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)CC1 ZINC001165001091 722238595 /nfs/dbraw/zinc/23/85/95/722238595.db2.gz BYDQWNYQDJZHRE-UHFFFAOYSA-N 1 1 473.581 2.452 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc(N5CCOCC5)cc4)nn2)CC3)CC1 ZINC001165001736 722238920 /nfs/dbraw/zinc/23/89/20/722238920.db2.gz KYJZLOCIJJDCOB-UHFFFAOYSA-N 1 1 486.624 2.127 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002807 722243070 /nfs/dbraw/zinc/24/30/70/722243070.db2.gz GOKUZPLNHABDSG-BWKNWUBXSA-N 1 1 472.593 2.351 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002807 722243075 /nfs/dbraw/zinc/24/30/75/722243075.db2.gz GOKUZPLNHABDSG-BWKNWUBXSA-N 1 1 472.593 2.351 20 0 JEADMO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001165004285 722268059 /nfs/dbraw/zinc/26/80/59/722268059.db2.gz AGCYVYIIIILKJJ-RUZDIDTESA-N 1 1 480.592 2.139 20 0 JEADMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nc(N)c2cc1OC ZINC000028457508 563064239 /nfs/dbraw/zinc/06/42/39/563064239.db2.gz ZGDKTJRDJYIXDO-UHFFFAOYSA-N 1 1 469.976 2.455 20 0 JEADMO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164428392 718954618 /nfs/dbraw/zinc/95/46/18/718954618.db2.gz LAHWGNSVTALDGN-JOCHJYFZSA-N 1 1 464.614 2.230 20 0 JEADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cc(N5CCOCC5)nc(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164628628 719063447 /nfs/dbraw/zinc/06/34/47/719063447.db2.gz SVFPGHBRNWXNAD-XZOQPEGZSA-N 1 1 464.614 2.251 20 0 JEADMO COCCN1CCN(C)C2(CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC2)C1=O ZINC001164641966 719275450 /nfs/dbraw/zinc/27/54/50/719275450.db2.gz VOVJYKBTCXFPKW-UHFFFAOYSA-N 1 1 466.561 2.378 20 0 JEADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)nc1 ZINC001164655640 719296556 /nfs/dbraw/zinc/29/65/56/719296556.db2.gz ULPOFNWQPRYLQF-YPAWHYETSA-N 1 1 498.653 2.156 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)nc1 ZINC001164655640 719296560 /nfs/dbraw/zinc/29/65/60/719296560.db2.gz ULPOFNWQPRYLQF-YPAWHYETSA-N 1 1 498.653 2.156 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650433 719312138 /nfs/dbraw/zinc/31/21/38/719312138.db2.gz YEJXADRITQIDRI-UHFFFAOYSA-N 1 1 460.970 2.445 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(c4nc(Cl)nc5c4CN(C)CC5)C3)C2)cc[nH+]1 ZINC001164664629 719357556 /nfs/dbraw/zinc/35/75/56/719357556.db2.gz PYAANMKMDNMCJH-HSZRJFAPSA-N 1 1 473.025 2.097 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@@H](F)Oc4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663494 719357813 /nfs/dbraw/zinc/35/78/13/719357813.db2.gz GLZOPAJCTZZSQX-UYAOXDASSA-N 1 1 451.934 2.237 20 0 JEADMO COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001164693607 719815930 /nfs/dbraw/zinc/81/59/30/719815930.db2.gz XBAREWXTOXLWBK-UHFFFAOYSA-N 1 1 481.630 2.497 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c21 ZINC001164700890 719838835 /nfs/dbraw/zinc/83/88/35/719838835.db2.gz KZUAJHWZFUAEQV-NSYGIPOTSA-N 1 1 481.553 2.292 20 0 JEADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(C(=O)NCC(C)C)ccc21 ZINC001164706906 719863194 /nfs/dbraw/zinc/86/31/94/719863194.db2.gz ZMRFFHBRWSYIDW-UQBPGWFLSA-N 1 1 469.586 2.248 20 0 JEADMO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710548 720083248 /nfs/dbraw/zinc/08/32/48/720083248.db2.gz JHVNRPUOJHUADN-GSLIJJQTSA-N 1 1 477.609 2.410 20 0 JEADMO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710548 720083255 /nfs/dbraw/zinc/08/32/55/720083255.db2.gz JHVNRPUOJHUADN-GSLIJJQTSA-N 1 1 477.609 2.410 20 0 JEADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164709742 720092454 /nfs/dbraw/zinc/09/24/54/720092454.db2.gz CRSMKSBRTLQKPO-QGZVFWFLSA-N 1 1 466.007 2.436 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164709742 720092460 /nfs/dbraw/zinc/09/24/60/720092460.db2.gz CRSMKSBRTLQKPO-QGZVFWFLSA-N 1 1 466.007 2.436 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164714219 720119883 /nfs/dbraw/zinc/11/98/83/720119883.db2.gz ASPPMKXEKKJHOF-SFTDATJTSA-N 1 1 477.613 2.324 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nn2)CC1 ZINC001164809704 720139236 /nfs/dbraw/zinc/13/92/36/720139236.db2.gz IJBVXNUPDQPSKC-SQJMNOBHSA-N 1 1 457.619 2.441 20 0 JEADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711716 720139272 /nfs/dbraw/zinc/13/92/72/720139272.db2.gz IJANGSPCFCDICA-GPWHBBDMSA-N 1 1 487.626 2.293 20 0 JEADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711718 720139420 /nfs/dbraw/zinc/13/94/20/720139420.db2.gz IJANGSPCFCDICA-WAUFSOIDSA-N 1 1 487.626 2.293 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164711321 720148384 /nfs/dbraw/zinc/14/83/84/720148384.db2.gz HEDKLOZHQFYNGS-JOCHJYFZSA-N 1 1 480.613 2.288 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(N3CCN(C)CC3)n1)CC2 ZINC001164711715 720150029 /nfs/dbraw/zinc/15/00/29/720150029.db2.gz IIPFNMKNRORBMF-QFIPXVFZSA-N 1 1 451.619 2.131 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nn2)C1 ZINC001164815060 720171958 /nfs/dbraw/zinc/17/19/58/720171958.db2.gz HQBZDCANNKWXSB-TYBLODHISA-N 1 1 457.619 2.441 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C2)C1 ZINC001164716753 720225102 /nfs/dbraw/zinc/22/51/02/720225102.db2.gz DUZVYVOCXKIDDN-VWLOTQADSA-N 1 1 486.016 2.330 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C2)C1 ZINC001164716753 720225106 /nfs/dbraw/zinc/22/51/06/720225106.db2.gz DUZVYVOCXKIDDN-VWLOTQADSA-N 1 1 486.016 2.330 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)CC1 ZINC001164812746 720229094 /nfs/dbraw/zinc/22/90/94/720229094.db2.gz HXNVKGKKYYLYPO-UHFFFAOYSA-N 1 1 483.617 2.063 20 0 JEADMO COc1nc(N2CCCCCC2)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812866 720233872 /nfs/dbraw/zinc/23/38/72/720233872.db2.gz JLLIMKCCGAJBSP-UHFFFAOYSA-N 1 1 456.595 2.068 20 0 JEADMO Cc1cc(NC(=O)c2cccnc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)no1 ZINC001164813514 720234343 /nfs/dbraw/zinc/23/43/43/720234343.db2.gz PASHPOXTLMGASZ-UHFFFAOYSA-N 1 1 451.531 2.438 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164812300 720237899 /nfs/dbraw/zinc/23/78/99/720237899.db2.gz DSZBVGKISSJZEY-SFHVURJKSA-N 1 1 476.647 2.356 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CCC2 ZINC001164813962 720238487 /nfs/dbraw/zinc/23/84/87/720238487.db2.gz SJXLZEFDMLWRQW-UHFFFAOYSA-N 1 1 474.993 2.015 20 0 JEADMO COC(=O)c1nc(Cl)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164816748 720245383 /nfs/dbraw/zinc/24/53/83/720245383.db2.gz LYJNUWIJZVVUNU-UHFFFAOYSA-N 1 1 455.346 2.377 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164720294 720262085 /nfs/dbraw/zinc/26/20/85/720262085.db2.gz UHPPYTVTVXVJGD-JOCHJYFZSA-N 1 1 452.983 2.355 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164720294 720262091 /nfs/dbraw/zinc/26/20/91/720262091.db2.gz UHPPYTVTVXVJGD-JOCHJYFZSA-N 1 1 452.983 2.355 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164721972 720281092 /nfs/dbraw/zinc/28/10/92/720281092.db2.gz NUQJVYFHQCAKMU-VWLOTQADSA-N 1 1 452.603 2.285 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164721972 720281104 /nfs/dbraw/zinc/28/11/04/720281104.db2.gz NUQJVYFHQCAKMU-VWLOTQADSA-N 1 1 452.603 2.285 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1 ZINC001164722895 720281552 /nfs/dbraw/zinc/28/15/52/720281552.db2.gz TVMSIVQMKNTWDD-HSZRJFAPSA-N 1 1 475.977 2.125 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1 ZINC001164722895 720281563 /nfs/dbraw/zinc/28/15/63/720281563.db2.gz TVMSIVQMKNTWDD-HSZRJFAPSA-N 1 1 475.977 2.125 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164721539 720289373 /nfs/dbraw/zinc/28/93/73/720289373.db2.gz KSDIPEOXVUYMPW-XMMPIXPASA-N 1 1 450.543 2.258 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164721539 720289382 /nfs/dbraw/zinc/28/93/82/720289382.db2.gz KSDIPEOXVUYMPW-XMMPIXPASA-N 1 1 450.543 2.258 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164721835 720320419 /nfs/dbraw/zinc/32/04/19/720320419.db2.gz IBGWNAZJPAQDQD-OYDLWJJNSA-N 1 1 465.598 2.266 20 0 JEADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164721835 720320427 /nfs/dbraw/zinc/32/04/27/720320427.db2.gz IBGWNAZJPAQDQD-OYDLWJJNSA-N 1 1 465.598 2.266 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C(=O)OCC ZINC001164833322 720523668 /nfs/dbraw/zinc/52/36/68/720523668.db2.gz DAHNGRKLWXHKBT-WSTZPKSXSA-N 1 1 470.574 2.404 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C(=O)OCC ZINC001164833320 720524248 /nfs/dbraw/zinc/52/42/48/720524248.db2.gz DAHNGRKLWXHKBT-QWFCFKBJSA-N 1 1 470.574 2.404 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4scnc4c(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839450 720524580 /nfs/dbraw/zinc/52/45/80/720524580.db2.gz UPWMOKJODXVUPK-CEXWTWQISA-N 1 1 468.631 2.497 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4scnc4c(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839452 720525155 /nfs/dbraw/zinc/52/51/55/720525155.db2.gz UPWMOKJODXVUPK-GBESFXJTSA-N 1 1 468.631 2.497 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001164833573 720571367 /nfs/dbraw/zinc/57/13/67/720571367.db2.gz AHDWKJNOWKWEHG-FDFHNCONSA-N 1 1 467.618 2.440 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842786 720612238 /nfs/dbraw/zinc/61/22/38/720612238.db2.gz VNSIKGPYKLJHQH-PCCBWWKXSA-N 1 1 465.602 2.486 20 0 JEADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742011 720693370 /nfs/dbraw/zinc/69/33/70/720693370.db2.gz VIHWVANDOCZOCJ-INMHGKMJSA-N 1 1 456.938 2.311 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741021 720698763 /nfs/dbraw/zinc/69/87/63/720698763.db2.gz RVKNJJAUZLEMIX-IRXDYDNUSA-N 1 1 451.531 2.110 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164836421 720720908 /nfs/dbraw/zinc/72/09/08/720720908.db2.gz AFSRSGYGWXFTLM-LEWJYISDSA-N 1 1 450.587 2.191 20 0 JEADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164740408 720762831 /nfs/dbraw/zinc/76/28/31/720762831.db2.gz KVTXGMJXLNTSKN-RBUKOAKNSA-N 1 1 481.626 2.272 20 0 JEADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737828 720780845 /nfs/dbraw/zinc/78/08/45/720780845.db2.gz CZOLQHYCPWATQY-DLBZAZTESA-N 1 1 488.520 2.293 20 0 JEADMO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164744148 720793767 /nfs/dbraw/zinc/79/37/67/720793767.db2.gz HLGPTAZIKRIWDO-VXKWHMMOSA-N 1 1 459.554 2.112 20 0 JEADMO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744150 720794781 /nfs/dbraw/zinc/79/47/81/720794781.db2.gz HLGPTAZIKRIWDO-YADHBBJMSA-N 1 1 459.554 2.112 20 0 JEADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164750645 720795007 /nfs/dbraw/zinc/79/50/07/720795007.db2.gz WOERLYCXBTWYQQ-DLBZAZTESA-N 1 1 464.526 2.301 20 0 JEADMO COc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164750648 720795057 /nfs/dbraw/zinc/79/50/57/720795057.db2.gz WOERLYCXBTWYQQ-IAGOWNOFSA-N 1 1 464.526 2.301 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164846561 720802843 /nfs/dbraw/zinc/80/28/43/720802843.db2.gz JIZRQKAHQIUCFQ-RBQRNVLBSA-N 1 1 499.656 2.000 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc-2n1 ZINC001164743327 720826698 /nfs/dbraw/zinc/82/66/98/720826698.db2.gz SGFJZNDWLMAXQE-CSODHUTKSA-N 1 1 465.558 2.329 20 0 JEADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747775 720843845 /nfs/dbraw/zinc/84/38/45/720843845.db2.gz RPXXERUOAJHWGI-HDMKZQKVSA-N 1 1 465.936 2.350 20 0 JEADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCCCCC2)n1 ZINC001164751015 720845493 /nfs/dbraw/zinc/84/54/93/720845493.db2.gz XSCQNTCGEZTNMH-PCCBWWKXSA-N 1 1 467.622 2.232 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164741843 720849628 /nfs/dbraw/zinc/84/96/28/720849628.db2.gz FQNMQCCLYNJJDQ-QNWVGRARSA-N 1 1 487.674 2.377 20 0 JEADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748665 720852599 /nfs/dbraw/zinc/85/25/99/720852599.db2.gz LMCHPEZJXGUQHD-RCZSKKKRSA-N 1 1 450.591 2.120 20 0 JEADMO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1 ZINC001164748664 720852962 /nfs/dbraw/zinc/85/29/62/720852962.db2.gz LMCHPEZJXGUQHD-KAGYGMCKSA-N 1 1 450.591 2.120 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164751229 720860959 /nfs/dbraw/zinc/86/09/59/720860959.db2.gz QWOZJACTMRGFNM-ZVXPMLRVSA-N 1 1 465.602 2.116 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164751222 720861228 /nfs/dbraw/zinc/86/12/28/720861228.db2.gz QWOZJACTMRGFNM-KTDPBYDISA-N 1 1 465.602 2.116 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C(=O)OCC ZINC001164751179 720861293 /nfs/dbraw/zinc/86/12/93/720861293.db2.gz QMXXHYOIOXUYCK-SFHLNBCPSA-N 1 1 482.585 2.406 20 0 JEADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(N4CCOCC4)ncn2)C3)c1 ZINC001164752231 720874283 /nfs/dbraw/zinc/87/42/83/720874283.db2.gz MFFGBLXSUWSMMD-BVAGGSTKSA-N 1 1 464.614 2.463 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164855373 720875494 /nfs/dbraw/zinc/87/54/94/720875494.db2.gz HBTMJAGONQRXGG-UXHICEINSA-N 1 1 475.659 2.314 20 0 JEADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(S(C)(=O)=O)n1 ZINC001164755606 720891101 /nfs/dbraw/zinc/89/11/01/720891101.db2.gz MDXOLEILSCXMLZ-RDPSFJRHSA-N 1 1 487.626 2.039 20 0 JEADMO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cnc1Cl ZINC001164860982 720892189 /nfs/dbraw/zinc/89/21/89/720892189.db2.gz WSKDSXRUCSWACT-GDBMZVCRSA-N 1 1 467.966 2.247 20 0 JEADMO NC(=O)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755067 720894971 /nfs/dbraw/zinc/89/49/71/720894971.db2.gz KNOUPNQFASMRRO-JPYJTQIMSA-N 1 1 456.978 2.379 20 0 JEADMO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753963 720897158 /nfs/dbraw/zinc/89/71/58/720897158.db2.gz HYLAYMFSOYQHSL-QPPBQGQZSA-N 1 1 471.627 2.140 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164748554 720910535 /nfs/dbraw/zinc/91/05/35/720910535.db2.gz GWVHWRBOGUUXTM-DHLKQENFSA-N 1 1 485.654 2.482 20 0 JEADMO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748435 720915267 /nfs/dbraw/zinc/91/52/67/720915267.db2.gz GDKOGICLDRQNDS-OFVILXPXSA-N 1 1 450.587 2.329 20 0 JEADMO CN1CCN(c2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754228 720925169 /nfs/dbraw/zinc/92/51/69/720925169.db2.gz URRZBMVBJZBTHP-SQHAQQRYSA-N 1 1 477.657 2.379 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867696 721061247 /nfs/dbraw/zinc/06/12/47/721061247.db2.gz JSIAKFYJRCARBV-QZTJIDSGSA-N 1 1 480.947 2.386 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ccn5S(=O)(=O)c4ccccc4)C[C@H]3C2)cn1 ZINC001164768162 721104762 /nfs/dbraw/zinc/10/47/62/721104762.db2.gz NNBZAAGCMJRMMD-WOJBJXKFSA-N 1 1 477.594 2.360 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877565 721152195 /nfs/dbraw/zinc/15/21/95/721152195.db2.gz OQVHTIIFMFZPPD-LEWJYISDSA-N 1 1 459.616 2.423 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877568 721152208 /nfs/dbraw/zinc/15/22/08/721152208.db2.gz OQVHTIIFMFZPPD-SFTDATJTSA-N 1 1 459.616 2.423 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc5ccn(S(=O)(=O)c6ccccc6)c5n4)C[C@@H]3C2)cn1 ZINC001164774434 721188330 /nfs/dbraw/zinc/18/83/30/721188330.db2.gz ZEHAKAXIZAPUAY-RTWAWAEBSA-N 1 1 477.594 2.360 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164870963 721192652 /nfs/dbraw/zinc/19/26/52/721192652.db2.gz XUEJBASDHVGGFJ-RTBURBONSA-N 1 1 454.527 2.310 20 0 JEADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1N1CCOCC1 ZINC001164870931 721198048 /nfs/dbraw/zinc/19/80/48/721198048.db2.gz XPOZLNBVKXTOJL-DLBZAZTESA-N 1 1 465.385 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770071 721201723 /nfs/dbraw/zinc/20/17/23/721201723.db2.gz MWPZTXNZECJILQ-GOTSBHOMSA-N 1 1 458.614 2.495 20 0 JEADMO CNC(=O)[C@@]12CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870601 721205513 /nfs/dbraw/zinc/20/55/13/721205513.db2.gz WBNMEUDNOKRFDU-JPYJTQIMSA-N 1 1 455.994 2.342 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3CC2(C(=O)N2CCCC2)C3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164873080 721237449 /nfs/dbraw/zinc/23/74/49/721237449.db2.gz PGMPQHMSCHHHLU-GDZHNBNXSA-N 1 1 469.630 2.472 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3CC2(C(=O)N2CCCC2)C3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164873080 721237454 /nfs/dbraw/zinc/23/74/54/721237454.db2.gz PGMPQHMSCHHHLU-GDZHNBNXSA-N 1 1 469.630 2.472 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)C1 ZINC001164870394 721267511 /nfs/dbraw/zinc/26/75/11/721267511.db2.gz XPNIEHYUULCUTD-UHFFFAOYSA-N 1 1 452.333 2.335 20 0 JEADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(Cl)n1 ZINC001164868516 721271665 /nfs/dbraw/zinc/27/16/65/721271665.db2.gz ACTUPDGKYVWHQF-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C(=O)Nc4ccccc4)ccn3)CC2)C1 ZINC001164873389 721274589 /nfs/dbraw/zinc/27/45/89/721274589.db2.gz LRZZMCNZIZUDRV-UHFFFAOYSA-N 1 1 451.571 2.341 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)CC2)C1 ZINC001164872739 721276571 /nfs/dbraw/zinc/27/65/71/721276571.db2.gz FGPWDAKKMPKDPU-UHFFFAOYSA-N 1 1 466.026 2.270 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC2)C1 ZINC001164878025 721289641 /nfs/dbraw/zinc/28/96/41/721289641.db2.gz QMLTZTQIJGFDTO-UHFFFAOYSA-N 1 1 484.935 2.337 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)ccn4)C3)O2)CC1 ZINC001164886706 721407777 /nfs/dbraw/zinc/40/77/77/721407777.db2.gz KTQHPJBSJHVMGR-RXFWQSSRSA-N 1 1 464.614 2.128 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH]1 ZINC001164891928 721420269 /nfs/dbraw/zinc/42/02/69/721420269.db2.gz WRQJCIKKGIRINO-IVZQSRNASA-N 1 1 462.982 2.163 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164898677 721437385 /nfs/dbraw/zinc/43/73/85/721437385.db2.gz WKBZSWZJKYWHET-XUZZJYLKSA-N 1 1 479.691 2.171 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)C3)O2)CC1 ZINC001164896191 721442007 /nfs/dbraw/zinc/44/20/07/721442007.db2.gz QXSYQMDODUTICP-XUZZJYLKSA-N 1 1 477.675 2.022 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)C3)O2)CC1 ZINC001164896190 721442230 /nfs/dbraw/zinc/44/22/30/721442230.db2.gz QXSYQMDODUTICP-URXFXBBRSA-N 1 1 477.675 2.022 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164890416 721451919 /nfs/dbraw/zinc/45/19/19/721451919.db2.gz RRPVPPQKUHCQFF-DRSNIGMVSA-N 1 1 451.999 2.172 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)C3)O2)CC1 ZINC001164890399 721453459 /nfs/dbraw/zinc/45/34/59/721453459.db2.gz RLYGQFXOIKZSHM-XLIONFOSSA-N 1 1 493.020 2.449 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889687 721453592 /nfs/dbraw/zinc/45/35/92/721453592.db2.gz PFHZOCFRHHXVQA-HTAPYJJXSA-N 1 1 451.015 2.035 20 0 JEADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164789482 721464899 /nfs/dbraw/zinc/46/48/99/721464899.db2.gz NFTXCADETTZFRF-GPWHBBDMSA-N 1 1 494.658 2.125 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164787322 721469614 /nfs/dbraw/zinc/46/96/14/721469614.db2.gz DWJRISQVGLWRRM-IBGZPJMESA-N 1 1 464.632 2.476 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)CC2 ZINC001164786698 721473183 /nfs/dbraw/zinc/47/31/83/721473183.db2.gz BZGRXYYRXQYVMS-KRWDZBQOSA-N 1 1 485.050 2.194 20 0 JEADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCO1 ZINC001164789078 721480716 /nfs/dbraw/zinc/48/07/16/721480716.db2.gz ASYXNJBIPMQDSG-KIFXHHALSA-N 1 1 463.582 2.430 20 0 JEADMO O=C([C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCO1 ZINC001164789078 721480718 /nfs/dbraw/zinc/48/07/18/721480718.db2.gz ASYXNJBIPMQDSG-KIFXHHALSA-N 1 1 463.582 2.430 20 0 JEADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164795101 721499891 /nfs/dbraw/zinc/49/98/91/721499891.db2.gz DBFGNSWYCKXVMD-UHFFFAOYSA-N 1 1 471.627 2.379 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C(=O)OCC ZINC001164900290 721522807 /nfs/dbraw/zinc/52/28/07/721522807.db2.gz PTUYFJHBJUESIQ-SJLPKXTDSA-N 1 1 458.490 2.311 20 0 JEADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164901291 721523822 /nfs/dbraw/zinc/52/38/22/721523822.db2.gz WKBSOSBRTYSAFZ-AEFFLSMTSA-N 1 1 456.547 2.404 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164799043 721542634 /nfs/dbraw/zinc/54/26/34/721542634.db2.gz AKQPQHDREPKJBC-NSHGMRRFSA-N 1 1 467.599 2.186 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164799043 721542637 /nfs/dbraw/zinc/54/26/37/721542637.db2.gz AKQPQHDREPKJBC-NSHGMRRFSA-N 1 1 467.599 2.186 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804734 721563216 /nfs/dbraw/zinc/56/32/16/721563216.db2.gz MPKCIUAHFZRNAG-UWVAXJGDSA-N 1 1 485.976 2.306 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804734 721563221 /nfs/dbraw/zinc/56/32/21/721563221.db2.gz MPKCIUAHFZRNAG-UWVAXJGDSA-N 1 1 485.976 2.306 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804733 721563240 /nfs/dbraw/zinc/56/32/40/721563240.db2.gz MPKCIUAHFZRNAG-FUHIMQAGSA-N 1 1 485.976 2.306 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804733 721563241 /nfs/dbraw/zinc/56/32/41/721563241.db2.gz MPKCIUAHFZRNAG-FUHIMQAGSA-N 1 1 485.976 2.306 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164798155 721564402 /nfs/dbraw/zinc/56/44/02/721564402.db2.gz AMQTZOVWZGLJPP-AWRGLXIESA-N 1 1 466.586 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164804644 721568409 /nfs/dbraw/zinc/56/84/09/721568409.db2.gz LCZOXYBSNZTUKR-QNWVGRARSA-N 1 1 466.586 2.129 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164804644 721568413 /nfs/dbraw/zinc/56/84/13/721568413.db2.gz LCZOXYBSNZTUKR-QNWVGRARSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809662 721577744 /nfs/dbraw/zinc/57/77/44/721577744.db2.gz UIYDCSFYVPBUGW-XPNTWCBSSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809662 721577746 /nfs/dbraw/zinc/57/77/46/721577746.db2.gz UIYDCSFYVPBUGW-XPNTWCBSSA-N 1 1 457.600 2.129 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2C1 ZINC001164806217 721578155 /nfs/dbraw/zinc/57/81/55/721578155.db2.gz MKQMGOOXCSWPKJ-FUDKSRODSA-N 1 1 452.559 2.254 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc2C1 ZINC001164806217 721578158 /nfs/dbraw/zinc/57/81/58/721578158.db2.gz MKQMGOOXCSWPKJ-FUDKSRODSA-N 1 1 452.559 2.254 20 0 JEADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164800293 721597911 /nfs/dbraw/zinc/59/79/11/721597911.db2.gz OQPRKWIIHAFSLA-HUVFLSCGSA-N 1 1 456.550 2.064 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907371 721723769 /nfs/dbraw/zinc/72/37/69/721723769.db2.gz RDMLRCWSWYTHQF-HXUWFJFHSA-N 1 1 451.543 2.465 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001165029019 721823863 /nfs/dbraw/zinc/82/38/63/721823863.db2.gz WLLMFGDMDQLVOF-AJSBUHFISA-N 1 1 471.627 2.234 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164928505 721851532 /nfs/dbraw/zinc/85/15/32/721851532.db2.gz NTMRREGLOKIXSK-LEWJYISDSA-N 1 1 454.600 2.191 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164928505 721851533 /nfs/dbraw/zinc/85/15/33/721851533.db2.gz NTMRREGLOKIXSK-LEWJYISDSA-N 1 1 454.600 2.191 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164928507 721851806 /nfs/dbraw/zinc/85/18/06/721851806.db2.gz NTMRREGLOKIXSK-RTWAWAEBSA-N 1 1 454.600 2.191 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164928507 721851807 /nfs/dbraw/zinc/85/18/07/721851807.db2.gz NTMRREGLOKIXSK-RTWAWAEBSA-N 1 1 454.600 2.191 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164923155 721874916 /nfs/dbraw/zinc/87/49/16/721874916.db2.gz IUGSSGRROMKLEB-MANSERQUSA-N 1 1 477.604 2.440 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164923155 721874917 /nfs/dbraw/zinc/87/49/17/721874917.db2.gz IUGSSGRROMKLEB-MANSERQUSA-N 1 1 477.604 2.440 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC001165038213 721916240 /nfs/dbraw/zinc/91/62/40/721916240.db2.gz LSRYHUFWBIQILJ-VGOFRKELSA-N 1 1 466.989 2.318 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N5CCC[C@H]5C(N)=O)ncn4)CC3)C2)cc1 ZINC001164939436 721932794 /nfs/dbraw/zinc/93/27/94/721932794.db2.gz LHQZATCTCASQIK-NRFANRHFSA-N 1 1 450.587 2.111 20 0 JEADMO CCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(N2CCOCC2)n1 ZINC001164960024 722057770 /nfs/dbraw/zinc/05/77/70/722057770.db2.gz DAZUORXALSHBAN-UHFFFAOYSA-N 1 1 452.603 2.390 20 0 JEADMO CCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(N2CCOCC2)n1 ZINC001164960024 722057771 /nfs/dbraw/zinc/05/77/71/722057771.db2.gz DAZUORXALSHBAN-UHFFFAOYSA-N 1 1 452.603 2.390 20 0 JEADMO COC(=O)c1cc2cnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2n1C ZINC001164959951 722059385 /nfs/dbraw/zinc/05/93/85/722059385.db2.gz AEQJSZAASNNLMT-UHFFFAOYSA-N 1 1 450.543 2.269 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164971645 722079361 /nfs/dbraw/zinc/07/93/61/722079361.db2.gz WUUJOSGKOXNGBX-VWLOTQADSA-N 1 1 482.654 2.339 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164970801 722079631 /nfs/dbraw/zinc/07/96/31/722079631.db2.gz RYJSBHCXUYUVEA-XMMPIXPASA-N 1 1 464.595 2.347 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)cc21 ZINC001164977354 722114871 /nfs/dbraw/zinc/11/48/71/722114871.db2.gz MSTWXVIDCCLHHE-HYBUGGRVSA-N 1 1 458.566 2.485 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164976142 722142159 /nfs/dbraw/zinc/14/21/59/722142159.db2.gz HKWUAZAJGHKAJC-KNQAVFIVSA-N 1 1 452.559 2.114 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2ncn4[C@H]2CCCCO2)CC3)CC1 ZINC001164997637 722233302 /nfs/dbraw/zinc/23/33/02/722233302.db2.gz SPPBYYGKUXAZTM-GOSISDBHSA-N 1 1 484.008 2.326 20 0 JEADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001784 722236993 /nfs/dbraw/zinc/23/69/93/722236993.db2.gz LUQVTNGWTIURCF-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002808 722242994 /nfs/dbraw/zinc/24/29/94/722242994.db2.gz GOKUZPLNHABDSG-OFVILXPXSA-N 1 1 472.593 2.351 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002808 722242996 /nfs/dbraw/zinc/24/29/96/722242996.db2.gz GOKUZPLNHABDSG-OFVILXPXSA-N 1 1 472.593 2.351 20 0 JEADMO Nc1nc2c(cnn2CC[NH+]2CCN(c3ccc(F)cc3F)CC2)c2nc(-c3ccco3)nn21 ZINC000053006839 563204892 /nfs/dbraw/zinc/20/48/92/563204892.db2.gz JZAMQDDHRXHDFR-UHFFFAOYSA-N 1 1 465.468 2.417 20 0 in-vivo JEADMO O=C1NCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)C12CNC2 ZINC001164411481 718878828 /nfs/dbraw/zinc/87/88/28/718878828.db2.gz PZEOQZBTTJFAIA-UHFFFAOYSA-N 1 1 453.974 2.035 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@H]5CCCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421528 718900292 /nfs/dbraw/zinc/90/02/92/718900292.db2.gz TYXVIADSTHCLQA-NQIIRXRSSA-N 1 1 472.659 2.281 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)C2)cc[nH+]1 ZINC001164662880 719357502 /nfs/dbraw/zinc/35/75/02/719357502.db2.gz AQHRYJFXZGKWEI-NRFANRHFSA-N 1 1 495.962 2.358 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@H](F)Oc4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663491 719357647 /nfs/dbraw/zinc/35/76/47/719357647.db2.gz GLZOPAJCTZZSQX-ICSRJNTNSA-N 1 1 451.934 2.237 20 0 JEADMO CCn1nnc2c1[C@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164662684 719361409 /nfs/dbraw/zinc/36/14/09/719361409.db2.gz DLFUYJGJFSGOOF-MSOLQXFVSA-N 1 1 485.633 2.242 20 0 JEADMO CCn1nnc2c1[C@H](COC)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164662684 719361411 /nfs/dbraw/zinc/36/14/11/719361411.db2.gz DLFUYJGJFSGOOF-MSOLQXFVSA-N 1 1 485.633 2.242 20 0 JEADMO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164687540 719717423 /nfs/dbraw/zinc/71/74/23/719717423.db2.gz ZIACCSJMZGZSRX-IBGZPJMESA-N 1 1 455.607 2.137 20 0 JEADMO CC[C@H]1C(=O)N(C)c2cnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164686526 719719378 /nfs/dbraw/zinc/71/93/78/719719378.db2.gz PBEIZQUSLKCBBO-IBGZPJMESA-N 1 1 469.634 2.161 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@H]4C3)c2)CC1 ZINC001164697156 719820239 /nfs/dbraw/zinc/82/02/39/719820239.db2.gz AEGGJMINPRLKOZ-FOVJLYNBSA-N 1 1 465.598 2.292 20 0 JEADMO COC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)Cc2cn(C)nc21 ZINC001164695377 719832222 /nfs/dbraw/zinc/83/22/22/719832222.db2.gz MFEZWZJZKPYPPN-IEBWSBKVSA-N 1 1 470.618 2.364 20 0 JEADMO COC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)Cc2cn(C)nc21 ZINC001164695377 719832225 /nfs/dbraw/zinc/83/22/25/719832225.db2.gz MFEZWZJZKPYPPN-IEBWSBKVSA-N 1 1 470.618 2.364 20 0 JEADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164704720 719854988 /nfs/dbraw/zinc/85/49/88/719854988.db2.gz SMEQJRITQQPCAH-MZNJEOGPSA-N 1 1 473.574 2.211 20 0 JEADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(C(=O)NCC(C)C)ccc21 ZINC001164706903 719862898 /nfs/dbraw/zinc/86/28/98/719862898.db2.gz ZMRFFHBRWSYIDW-KBMIEXCESA-N 1 1 469.586 2.248 20 0 JEADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(=O)n(Cc3ccc(OC)cc3)cc-2[nH]1 ZINC001164704334 719866495 /nfs/dbraw/zinc/86/64/95/719866495.db2.gz LBHKHDUAIUSCRF-CCLHPLFOSA-N 1 1 494.592 2.479 20 0 JEADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc(N5CCOCC5)nc5c4CCN5)CC3)C2)c1 ZINC001164695288 719889657 /nfs/dbraw/zinc/88/96/57/719889657.db2.gz LNQVMFBVNAGDQM-UHFFFAOYSA-N 1 1 456.616 2.214 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164712598 720097892 /nfs/dbraw/zinc/09/78/92/720097892.db2.gz XGRNVOTYCICMBS-QHCPKHFHSA-N 1 1 465.598 2.457 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CCC2 ZINC001164811971 720222233 /nfs/dbraw/zinc/22/22/33/720222233.db2.gz BNQDHPUJSVXJFI-UHFFFAOYSA-N 1 1 461.570 2.170 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C2)C1 ZINC001164716751 720225240 /nfs/dbraw/zinc/22/52/40/720225240.db2.gz DUZVYVOCXKIDDN-RUZDIDTESA-N 1 1 486.016 2.330 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C2)C1 ZINC001164716751 720225245 /nfs/dbraw/zinc/22/52/45/720225245.db2.gz DUZVYVOCXKIDDN-RUZDIDTESA-N 1 1 486.016 2.330 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164812887 720237971 /nfs/dbraw/zinc/23/79/71/720237971.db2.gz JVVJNPNOBUSBQN-UHFFFAOYSA-N 1 1 476.647 2.213 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164812342 720238008 /nfs/dbraw/zinc/23/80/08/720238008.db2.gz FXDSVBNOYQTSGL-UHFFFAOYSA-N 1 1 476.647 2.356 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)[nH]c(C)c(C)c-2n1 ZINC001164718353 720262630 /nfs/dbraw/zinc/26/26/30/720262630.db2.gz FHLDQJJWYMHPMW-DEOSSOPVSA-N 1 1 457.575 2.021 20 0 JEADMO CCOC(=O)c1cc2c(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)[nH]c(C)c(C)c-2n1 ZINC001164718353 720262633 /nfs/dbraw/zinc/26/26/33/720262633.db2.gz FHLDQJJWYMHPMW-DEOSSOPVSA-N 1 1 457.575 2.021 20 0 JEADMO O=C(NC[C@H]1CC[C@]2(COCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1cnccn1 ZINC001164820261 720272415 /nfs/dbraw/zinc/27/24/15/720272415.db2.gz VGPWVZYEBKWGRU-DVECYGJZSA-N 1 1 487.004 2.305 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164834666 720566577 /nfs/dbraw/zinc/56/65/77/720566577.db2.gz FOMBXURLXUWOTH-YPAWHYETSA-N 1 1 467.618 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC[C@@H]21 ZINC001164842257 720605160 /nfs/dbraw/zinc/60/51/60/720605160.db2.gz VDCWXABAEOIHJK-URVUXULASA-N 1 1 458.632 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164837768 720624308 /nfs/dbraw/zinc/62/43/08/720624308.db2.gz JIBKQDAGKYHKDF-ONTIZHBOSA-N 1 1 458.632 2.440 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744429 720642930 /nfs/dbraw/zinc/64/29/30/720642930.db2.gz SEYKYLHDZGIZSV-CABCVRRESA-N 1 1 451.909 2.407 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744429 720642951 /nfs/dbraw/zinc/64/29/51/720642951.db2.gz SEYKYLHDZGIZSV-CABCVRRESA-N 1 1 451.909 2.407 20 0 JEADMO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737056 720722424 /nfs/dbraw/zinc/72/24/24/720722424.db2.gz CSVCXIDBCKVUDK-VQTJNVASSA-N 1 1 459.558 2.056 20 0 JEADMO O=C(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164740358 720727457 /nfs/dbraw/zinc/72/74/57/720727457.db2.gz KGVHHBAPPWQLBM-BJKOFHAPSA-N 1 1 499.619 2.172 20 0 JEADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751137 720810550 /nfs/dbraw/zinc/81/05/50/720810550.db2.gz WWRHOKROXTTZBL-JENIJYKNSA-N 1 1 457.604 2.346 20 0 JEADMO c1cc2nc(N3CC[C@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164741834 720816029 /nfs/dbraw/zinc/81/60/29/720816029.db2.gz ONONFGKCHSPOQC-ZJOUEHCJSA-N 1 1 480.642 2.499 20 0 JEADMO c1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164741828 720816304 /nfs/dbraw/zinc/81/63/04/720816304.db2.gz ONONFGKCHSPOQC-IRFCIJBXSA-N 1 1 480.642 2.499 20 0 JEADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747057 720818035 /nfs/dbraw/zinc/81/80/35/720818035.db2.gz ZYUSBGQUDJNQPK-JENIJYKNSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747057 720818036 /nfs/dbraw/zinc/81/80/36/720818036.db2.gz ZYUSBGQUDJNQPK-JENIJYKNSA-N 1 1 450.547 2.106 20 0 JEADMO CCOC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164747057 720818040 /nfs/dbraw/zinc/81/80/40/720818040.db2.gz ZYUSBGQUDJNQPK-JENIJYKNSA-N 1 1 450.547 2.106 20 0 JEADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCOCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738766 720827313 /nfs/dbraw/zinc/82/73/13/720827313.db2.gz GJYVOCPFBFTXJL-AWRGLXIESA-N 1 1 474.613 2.437 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742191 720830009 /nfs/dbraw/zinc/83/00/09/720830009.db2.gz QBGLAYGVBFLUOX-YQVWRLOYSA-N 1 1 459.982 2.207 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748986 720841703 /nfs/dbraw/zinc/84/17/03/720841703.db2.gz VKEWRMHBDZOEBN-CMKODMSKSA-N 1 1 464.574 2.116 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)C1 ZINC001164748002 720848338 /nfs/dbraw/zinc/84/83/38/720848338.db2.gz SCWUATLCMZMIOK-KAOXLYBCSA-N 1 1 494.644 2.227 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)C1 ZINC001164748011 720848374 /nfs/dbraw/zinc/84/83/74/720848374.db2.gz SCWUATLCMZMIOK-WZYRSQIMSA-N 1 1 494.644 2.227 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164853529 720869081 /nfs/dbraw/zinc/86/90/81/720869081.db2.gz GWYGQSAABZCNSJ-UGKGYDQZSA-N 1 1 490.626 2.455 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164853529 720869082 /nfs/dbraw/zinc/86/90/82/720869082.db2.gz GWYGQSAABZCNSJ-UGKGYDQZSA-N 1 1 490.626 2.455 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC[C@H]2C1 ZINC001164856629 720872867 /nfs/dbraw/zinc/87/28/67/720872867.db2.gz IPSLFMLLCHAYQK-RDPSFJRHSA-N 1 1 466.582 2.420 20 0 JEADMO NC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755931 720883639 /nfs/dbraw/zinc/88/36/39/720883639.db2.gz NLIGFCGFXQRXGA-FDDCHVKYSA-N 1 1 456.978 2.379 20 0 JEADMO C[C@@H]1C(=O)Nc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2N1C ZINC001164758496 720891742 /nfs/dbraw/zinc/89/17/42/720891742.db2.gz YPIIPPTUZRZKOB-JJHGTGHCSA-N 1 1 477.613 2.404 20 0 JEADMO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748432 720914751 /nfs/dbraw/zinc/91/47/51/720914751.db2.gz GDKOGICLDRQNDS-BWKNWUBXSA-N 1 1 450.587 2.329 20 0 JEADMO CN1CCN(c2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754226 720924420 /nfs/dbraw/zinc/92/44/20/720924420.db2.gz URRZBMVBJZBTHP-RPLLCQBOSA-N 1 1 477.657 2.379 20 0 JEADMO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164759706 721024381 /nfs/dbraw/zinc/02/43/81/721024381.db2.gz NFFZMCLIJHPHMI-HXUWFJFHSA-N 1 1 471.569 2.062 20 0 JEADMO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164759706 721024387 /nfs/dbraw/zinc/02/43/87/721024387.db2.gz NFFZMCLIJHPHMI-HXUWFJFHSA-N 1 1 471.569 2.062 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1C ZINC001164881179 721134281 /nfs/dbraw/zinc/13/42/81/721134281.db2.gz ZNWRDXYRSIBKOU-CVEARBPZSA-N 1 1 456.934 2.283 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164871645 721151309 /nfs/dbraw/zinc/15/13/09/721151309.db2.gz GCMHZNIIHLXDPW-LEWJYISDSA-N 1 1 459.616 2.281 20 0 JEADMO CNC(=O)[C@@]12CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164868501 721203546 /nfs/dbraw/zinc/20/35/46/721203546.db2.gz NHGVZWPFSSXXLH-KCWPFWIISA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@@]12CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164868501 721203553 /nfs/dbraw/zinc/20/35/53/721203553.db2.gz NHGVZWPFSSXXLH-KCWPFWIISA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@]12CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164868502 721203700 /nfs/dbraw/zinc/20/37/00/721203700.db2.gz NHGVZWPFSSXXLH-WNCULLNHSA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@]12CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164868502 721203712 /nfs/dbraw/zinc/20/37/12/721203712.db2.gz NHGVZWPFSSXXLH-WNCULLNHSA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@@]12CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164868500 721203919 /nfs/dbraw/zinc/20/39/19/721203919.db2.gz NHGVZWPFSSXXLH-HOFKKMOUSA-N 1 1 484.608 2.046 20 0 JEADMO CNC(=O)[C@@]12CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164868500 721203940 /nfs/dbraw/zinc/20/39/40/721203940.db2.gz NHGVZWPFSSXXLH-HOFKKMOUSA-N 1 1 484.608 2.046 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)C[C@H]3C2)cn1 ZINC001164769871 721249439 /nfs/dbraw/zinc/24/94/39/721249439.db2.gz ZWNJOHLKKRDDHP-JKSUJKDBSA-N 1 1 452.390 2.312 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC2)C1 ZINC001164868594 721264870 /nfs/dbraw/zinc/26/48/70/721264870.db2.gz DLOSYZNWKKAQTR-UHFFFAOYSA-N 1 1 478.641 2.042 20 0 JEADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869889 721269323 /nfs/dbraw/zinc/26/93/23/721269323.db2.gz SGXCJBKOIPFADF-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO COc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2cc1OC ZINC001164872452 721273878 /nfs/dbraw/zinc/27/38/78/721273878.db2.gz DJXMKUNEJBMORF-UHFFFAOYSA-N 1 1 477.993 2.307 20 0 JEADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872105 721275281 /nfs/dbraw/zinc/27/52/81/721275281.db2.gz AFYXBRPREVIEGV-UHFFFAOYSA-N 1 1 452.983 2.227 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)C1 ZINC001164872100 721282904 /nfs/dbraw/zinc/28/29/04/721282904.db2.gz AETCTWFTNMHXGT-UHFFFAOYSA-N 1 1 468.936 2.230 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4OCC[C@H]4[C@H](C(=O)NCc4cccnc4)C3)c2)CC1 ZINC001164881338 721305034 /nfs/dbraw/zinc/30/50/34/721305034.db2.gz VOQKLIJMMGENHJ-ZRBLBEILSA-N 1 1 451.571 2.107 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001164777614 721336277 /nfs/dbraw/zinc/33/62/77/721336277.db2.gz OTOTVHRMLNIANO-RUZDIDTESA-N 1 1 469.586 2.278 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)N4CCOCC4)cn3)C2)C1 ZINC001164777614 721336283 /nfs/dbraw/zinc/33/62/83/721336283.db2.gz OTOTVHRMLNIANO-RUZDIDTESA-N 1 1 469.586 2.278 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H](NC(=O)c4cccnc4)[C@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164780339 721381672 /nfs/dbraw/zinc/38/16/72/721381672.db2.gz GBXAWUJYVNNCOH-KWOQKUFVSA-N 1 1 451.571 2.363 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)C3)O2)CC1 ZINC001164889768 721391537 /nfs/dbraw/zinc/39/15/37/721391537.db2.gz MFBYDQDBEIUDPR-YADARESESA-N 1 1 472.659 2.293 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)cc-2n1 ZINC001164892002 721408728 /nfs/dbraw/zinc/40/87/28/721408728.db2.gz XVSJDXBPAWZJFP-OSPHWJPCSA-N 1 1 457.575 2.124 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCOCC4)C3)O2)CC1 ZINC001164886092 721409652 /nfs/dbraw/zinc/40/96/52/721409652.db2.gz HUDABXLMVKFDSQ-QFQXNSOFSA-N 1 1 466.630 2.232 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164898685 721426271 /nfs/dbraw/zinc/42/62/71/721426271.db2.gz WLSCSTWJRCZLLN-NBGIEHNGSA-N 1 1 459.635 2.324 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164898681 721426293 /nfs/dbraw/zinc/42/62/93/721426293.db2.gz WLSCSTWJRCZLLN-CJFMBICVSA-N 1 1 459.635 2.324 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164890268 721435730 /nfs/dbraw/zinc/43/57/30/721435730.db2.gz CXGNFOKZNALQNB-AUUYWEPGSA-N 1 1 455.941 2.268 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164784104 721448225 /nfs/dbraw/zinc/44/82/25/721448225.db2.gz DOJPPBLWIDYTRT-KRWDZBQOSA-N 1 1 473.039 2.267 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C(=O)OCC ZINC001164893179 721452767 /nfs/dbraw/zinc/45/27/67/721452767.db2.gz YSIRTSHDDUNJJV-DFBJGRDBSA-N 1 1 474.602 2.200 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784723 721458261 /nfs/dbraw/zinc/45/82/61/721458261.db2.gz JXLSJZNOVAQOAM-IBGZPJMESA-N 1 1 462.591 2.396 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164783299 721460546 /nfs/dbraw/zinc/46/05/46/721460546.db2.gz DDJHNBAYWDBEGL-SFTDATJTSA-N 1 1 484.645 2.156 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164784636 721462874 /nfs/dbraw/zinc/46/28/74/721462874.db2.gz IXKTZMTXTQRVCS-JOCHJYFZSA-N 1 1 470.614 2.465 20 0 JEADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001164791686 721491880 /nfs/dbraw/zinc/49/18/80/721491880.db2.gz DOZCENQCCFPPML-UHFFFAOYSA-N 1 1 493.656 2.426 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164906782 721542514 /nfs/dbraw/zinc/54/25/14/721542514.db2.gz LHYBOTLEQZVHDI-FPOVZHCZSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001164911003 721544131 /nfs/dbraw/zinc/54/41/31/721544131.db2.gz UXVAISIXGRQVSI-TZIWHRDSSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164911529 721544829 /nfs/dbraw/zinc/54/48/29/721544829.db2.gz XCHVAUVDULFOGW-TZIWHRDSSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164911519 721545533 /nfs/dbraw/zinc/54/55/33/721545533.db2.gz XCHVAUVDULFOGW-CTNGQTDRSA-N 1 1 455.534 2.347 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904002 721548650 /nfs/dbraw/zinc/54/86/50/721548650.db2.gz DXQKKGAPVOALOI-DZGCQCFKSA-N 1 1 476.908 2.408 20 0 JEADMO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)C1=O ZINC001164909263 721555850 /nfs/dbraw/zinc/55/58/50/721555850.db2.gz UDEXTJKAVCAERK-ICSRJNTNSA-N 1 1 453.518 2.393 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3Cc4nccn4C[C@H](COCC(=O)N4CCCC4)C3)c2)CC1 ZINC001164902795 721582147 /nfs/dbraw/zinc/58/21/47/721582147.db2.gz HSIGTQOFFIPWHL-FQEVSTJZSA-N 1 1 468.602 2.027 20 0 JEADMO C[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009804 721691718 /nfs/dbraw/zinc/69/17/18/721691718.db2.gz RAAYUKPIMTYKOU-FPGHNAPASA-N 1 1 451.575 2.026 20 0 JEADMO FC1(F)CCN(c2nc(N3CCOCC3)nc3c2CCN3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906095 721696248 /nfs/dbraw/zinc/69/62/48/721696248.db2.gz LDDKPKICBCXUIU-QHCPKHFHSA-N 1 1 471.556 2.414 20 0 JEADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CCN(Cc5cccc[nH+]5)C4)C3)c12 ZINC001164906519 721696702 /nfs/dbraw/zinc/69/67/02/721696702.db2.gz NERUCENDUPMBKB-HXUWFJFHSA-N 1 1 462.526 2.494 20 0 JEADMO FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)CNC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904377 721721984 /nfs/dbraw/zinc/72/19/84/721721984.db2.gz CXBPZPXQCVPTOX-QHCPKHFHSA-N 1 1 471.556 2.049 20 0 JEADMO CN(C)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907369 721722993 /nfs/dbraw/zinc/72/29/93/721722993.db2.gz RDMLRCWSWYTHQF-FQEVSTJZSA-N 1 1 451.543 2.465 20 0 JEADMO O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014155 721775692 /nfs/dbraw/zinc/77/56/92/721775692.db2.gz ANYPNAGCXVHNJG-IGKIAQTJSA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014155 721775695 /nfs/dbraw/zinc/77/56/95/721775695.db2.gz ANYPNAGCXVHNJG-IGKIAQTJSA-N 1 1 477.609 2.269 20 0 JEADMO CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914559 721783185 /nfs/dbraw/zinc/78/31/85/721783185.db2.gz DYEXQRUYJCARKW-SANMLTNESA-N 1 1 494.596 2.481 20 0 JEADMO CCOC(=O)c1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164917789 721783282 /nfs/dbraw/zinc/78/32/82/721783282.db2.gz ZGDGTPPFLOEKTD-VWLOTQADSA-N 1 1 463.538 2.309 20 0 JEADMO CCOC(=O)c1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164917789 721783285 /nfs/dbraw/zinc/78/32/85/721783285.db2.gz ZGDGTPPFLOEKTD-VWLOTQADSA-N 1 1 463.538 2.309 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165018640 721804761 /nfs/dbraw/zinc/80/47/61/721804761.db2.gz BRKHXEOKGZQKSB-YFNKSVMNSA-N 1 1 493.656 2.282 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925108 721870916 /nfs/dbraw/zinc/87/09/16/721870916.db2.gz MNYXANJFJGCFKC-RPBOFIJWSA-N 1 1 462.642 2.254 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925108 721870918 /nfs/dbraw/zinc/87/09/18/721870918.db2.gz MNYXANJFJGCFKC-RPBOFIJWSA-N 1 1 462.642 2.254 20 0 JEADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC001164939986 721911870 /nfs/dbraw/zinc/91/18/70/721911870.db2.gz WGNGIXSFFNVEHG-KDURUIRLSA-N 1 1 456.616 2.065 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037059 721916227 /nfs/dbraw/zinc/91/62/27/721916227.db2.gz GBCYSWMSJJFYRD-IIBYNOLFSA-N 1 1 452.962 2.294 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC001165038214 721916269 /nfs/dbraw/zinc/91/62/69/721916269.db2.gz LSRYHUFWBIQILJ-VGSWGCGISA-N 1 1 466.989 2.318 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)CC3)C2)cc1 ZINC001164938609 721931225 /nfs/dbraw/zinc/93/12/25/721931225.db2.gz AOTNWFWLFUFXES-UHFFFAOYSA-N 1 1 486.638 2.282 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@@H]23)cn1 ZINC001164958639 722031588 /nfs/dbraw/zinc/03/15/88/722031588.db2.gz PBRFFFDZYOKNLC-ZCNNSNEGSA-N 1 1 458.994 2.336 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164972257 722079422 /nfs/dbraw/zinc/07/94/22/722079422.db2.gz YYVFHXOPLRIXEE-XMMPIXPASA-N 1 1 468.627 2.093 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164968489 722079464 /nfs/dbraw/zinc/07/94/64/722079464.db2.gz BROMTXJWNZPPHV-CPJLOUKISA-N 1 1 482.654 2.339 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)c3)cc21 ZINC001164977360 722114536 /nfs/dbraw/zinc/11/45/36/722114536.db2.gz MSTWXVIDCCLHHE-YKSBVNFPSA-N 1 1 458.566 2.485 20 0 JEADMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972526 722138930 /nfs/dbraw/zinc/13/89/30/722138930.db2.gz AAULPEDUZKCHBD-RTWAWAEBSA-N 1 1 453.591 2.383 20 0 JEADMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972517 722139151 /nfs/dbraw/zinc/13/91/51/722139151.db2.gz AAULPEDUZKCHBD-LEWJYISDSA-N 1 1 453.591 2.383 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164976145 722142133 /nfs/dbraw/zinc/14/21/33/722142133.db2.gz HKWUAZAJGHKAJC-UGKGYDQZSA-N 1 1 452.559 2.114 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CC(C(=O)NCc5ccncc5)=NO4)C3)c2)CC1 ZINC001165000410 722219005 /nfs/dbraw/zinc/21/90/05/722219005.db2.gz XKBDMWPBNCLURI-VWLOTQADSA-N 1 1 464.570 2.381 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC3)CC1 ZINC001164997137 722234868 /nfs/dbraw/zinc/23/48/68/722234868.db2.gz LPVUZVOVESZCQI-UHFFFAOYSA-N 1 1 458.010 2.410 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5[C@H](CC5(F)F)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408630 718870444 /nfs/dbraw/zinc/87/04/44/718870444.db2.gz MUIYULQENMHUSN-WBVHZDCISA-N 1 1 464.586 2.367 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H]5CCCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421529 718901123 /nfs/dbraw/zinc/90/11/23/718901123.db2.gz TYXVIADSTHCLQA-RXVVDRJESA-N 1 1 472.659 2.281 20 0 JEADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)nc1)C1CC1 ZINC001164430440 718956547 /nfs/dbraw/zinc/95/65/47/718956547.db2.gz VFIUOWUAYZEWCI-WXVAWEFUSA-N 1 1 491.640 2.048 20 0 JEADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2c2ccccc2)C1=O ZINC001164630600 719144290 /nfs/dbraw/zinc/14/42/90/719144290.db2.gz JPORMNPIAYVSQE-CUBQBAPOSA-N 1 1 491.636 2.465 20 0 JEADMO COCCN1CCN(C)C2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271653 /nfs/dbraw/zinc/27/16/53/719271653.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 1 1 463.626 2.399 20 0 JEADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)C3)C2)cc[nH+]1 ZINC001164662845 719357483 /nfs/dbraw/zinc/35/74/83/719357483.db2.gz AHQWTBUVDPULLD-HXUWFJFHSA-N 1 1 468.936 2.498 20 0 JEADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164687706 719692264 /nfs/dbraw/zinc/69/22/64/719692264.db2.gz UGWFSNXPWPULDI-SFHVURJKSA-N 1 1 454.575 2.079 20 0 JEADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704039 719855410 /nfs/dbraw/zinc/85/54/10/719855410.db2.gz QPRVAYUBJTYQBE-OYHNWAKOSA-N 1 1 462.934 2.303 20 0 JEADMO COc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(N2CCn3ccnc3C2)n1 ZINC001164706808 719904090 /nfs/dbraw/zinc/90/40/90/719904090.db2.gz KNSKJKNZHSRIJI-UHFFFAOYSA-N 1 1 482.614 2.030 20 0 JEADMO COc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(N2CCn3ccnc3C2)n1 ZINC001164706808 719904102 /nfs/dbraw/zinc/90/41/02/719904102.db2.gz KNSKJKNZHSRIJI-UHFFFAOYSA-N 1 1 482.614 2.030 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164712499 720104869 /nfs/dbraw/zinc/10/48/69/720104869.db2.gz WFOMTQAXUZXEHC-IBGZPJMESA-N 1 1 474.009 2.264 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164718996 720109189 /nfs/dbraw/zinc/10/91/89/720109189.db2.gz UOVZGNJYYRJTDF-OAQYLSRUSA-N 1 1 479.629 2.184 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccnc(N3CCN(C)CC3)n1)CC2 ZINC001164711714 720149849 /nfs/dbraw/zinc/14/98/49/720149849.db2.gz IIPFNMKNRORBMF-JOCHJYFZSA-N 1 1 451.619 2.131 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nn2)C1 ZINC001164815058 720171940 /nfs/dbraw/zinc/17/19/40/720171940.db2.gz HQBZDCANNKWXSB-DNRQZRRGSA-N 1 1 457.619 2.441 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(OCc4cccc(Cl)c4)n3)C2)C1 ZINC001164722872 720304849 /nfs/dbraw/zinc/30/48/49/720304849.db2.gz MPEKEWSTKAZNEF-QHCPKHFHSA-N 1 1 459.978 2.374 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(OCc4cccc(Cl)c4)n3)C2)C1 ZINC001164722872 720304853 /nfs/dbraw/zinc/30/48/53/720304853.db2.gz MPEKEWSTKAZNEF-QHCPKHFHSA-N 1 1 459.978 2.374 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164834662 720566880 /nfs/dbraw/zinc/56/68/80/720566880.db2.gz FOMBXURLXUWOTH-BHIFYINESA-N 1 1 467.618 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@@H]21 ZINC001164842785 720612604 /nfs/dbraw/zinc/61/26/04/720612604.db2.gz VNSIKGPYKLJHQH-HKBOAZHASA-N 1 1 465.602 2.486 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)CC[C@@H]21 ZINC001164836968 720644552 /nfs/dbraw/zinc/64/45/52/720644552.db2.gz AKJCYJRTPXASGV-ZOBUZTSGSA-N 1 1 450.996 2.034 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164840914 720719044 /nfs/dbraw/zinc/71/90/44/720719044.db2.gz SMCCSSYYBQBXSZ-HSZRJFAPSA-N 1 1 498.649 2.212 20 0 JEADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164740360 720727574 /nfs/dbraw/zinc/72/75/74/720727574.db2.gz KGVHHBAPPWQLBM-RPWUZVMVSA-N 1 1 499.619 2.172 20 0 JEADMO c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)cn1 ZINC001164739945 720761903 /nfs/dbraw/zinc/76/19/03/720761903.db2.gz KASOSBKVZRBQMV-QZTJIDSGSA-N 1 1 493.637 2.144 20 0 JEADMO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164744144 720795391 /nfs/dbraw/zinc/79/53/91/720795391.db2.gz HLGPTAZIKRIWDO-FCHUYYIVSA-N 1 1 459.554 2.112 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@]4(C(=O)NCCc4ccccc4)C3)c2)CC1 ZINC001164855706 720817111 /nfs/dbraw/zinc/81/71/11/720817111.db2.gz YHWDIIQAYSYLSN-RLWLMLJZSA-N 1 1 450.583 2.366 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c3)cc21 ZINC001164742639 720825951 /nfs/dbraw/zinc/82/59/51/720825951.db2.gz QFHRZUWHPPERTF-YOSAUDMPSA-N 1 1 472.597 2.334 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc-2n1 ZINC001164743328 720826555 /nfs/dbraw/zinc/82/65/55/720826555.db2.gz SGFJZNDWLMAXQE-LLGFUMIMSA-N 1 1 465.558 2.329 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3cc(C)n4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164849070 720842761 /nfs/dbraw/zinc/84/27/61/720842761.db2.gz BHFFDVSXEHQKMU-UGKGYDQZSA-N 1 1 485.610 2.150 20 0 JEADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748851 720843520 /nfs/dbraw/zinc/84/35/20/720843520.db2.gz VAPKWKCVHPVJFU-BRWVUGGUSA-N 1 1 450.996 2.109 20 0 JEADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747784 720843585 /nfs/dbraw/zinc/84/35/85/720843585.db2.gz RPXXERUOAJHWGI-RVKKMQEKSA-N 1 1 465.936 2.350 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164851559 720854839 /nfs/dbraw/zinc/85/48/39/720854839.db2.gz AYNYXJRDTXTPCN-IOMROCGXSA-N 1 1 458.607 2.130 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC[C@H]2C1 ZINC001164852720 720855449 /nfs/dbraw/zinc/85/54/49/720855449.db2.gz FOSQKDUIIZZOIH-AVRDEDQJSA-N 1 1 470.618 2.422 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C(=O)OCC ZINC001164751181 720860936 /nfs/dbraw/zinc/86/09/36/720860936.db2.gz QMXXHYOIOXUYCK-SVFBPWRDSA-N 1 1 482.585 2.406 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc2C1 ZINC001164751224 720860975 /nfs/dbraw/zinc/86/09/75/720860975.db2.gz QWOZJACTMRGFNM-LCKKVJLRSA-N 1 1 465.602 2.116 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1C(=O)OCC ZINC001164743889 720861299 /nfs/dbraw/zinc/86/12/99/720861299.db2.gz ATCPSVHHPYITKY-CNNODRBYSA-N 1 1 482.585 2.406 20 0 JEADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(N4CCOCC4)ncn2)C3)c1 ZINC001164752239 720873952 /nfs/dbraw/zinc/87/39/52/720873952.db2.gz MFFGBLXSUWSMMD-ZEQKJWHPSA-N 1 1 464.614 2.463 20 0 JEADMO NC(=O)c1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755070 720895126 /nfs/dbraw/zinc/89/51/26/720895126.db2.gz KNOUPNQFASMRRO-WZONZLPQSA-N 1 1 456.978 2.379 20 0 JEADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755401 720897187 /nfs/dbraw/zinc/89/71/87/720897187.db2.gz LVVAGASNMWWIDN-UFHPHHKVSA-N 1 1 490.652 2.277 20 0 JEADMO O=C(c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755401 720897191 /nfs/dbraw/zinc/89/71/91/720897191.db2.gz LVVAGASNMWWIDN-UFHPHHKVSA-N 1 1 490.652 2.277 20 0 JEADMO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748439 720915546 /nfs/dbraw/zinc/91/55/46/720915546.db2.gz GDKOGICLDRQNDS-SQJMNOBHSA-N 1 1 450.587 2.329 20 0 JEADMO CCNC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164750138 720922689 /nfs/dbraw/zinc/92/26/89/720922689.db2.gz JJQQCPWFDLBHTB-PXDATVDWSA-N 1 1 450.587 2.376 20 0 JEADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164746482 720924776 /nfs/dbraw/zinc/92/47/76/720924776.db2.gz AWAQXLNBXLDFCC-QSEAXJEQSA-N 1 1 491.640 2.081 20 0 JEADMO NS(=O)(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164750848 720938726 /nfs/dbraw/zinc/93/87/26/720938726.db2.gz KYRYOYXONKJLNA-WMZHIEFXSA-N 1 1 475.590 2.018 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164746515 720942455 /nfs/dbraw/zinc/94/24/55/720942455.db2.gz BGAFJWKMLNJMFG-PXDATVDWSA-N 1 1 489.686 2.339 20 0 JEADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164861506 721036054 /nfs/dbraw/zinc/03/60/54/721036054.db2.gz IDXLTGKPIGRRQT-NDEPHWFRSA-N 1 1 497.603 2.274 20 0 JEADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164861506 721036058 /nfs/dbraw/zinc/03/60/58/721036058.db2.gz IDXLTGKPIGRRQT-NDEPHWFRSA-N 1 1 497.603 2.274 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867698 721060746 /nfs/dbraw/zinc/06/07/46/721060746.db2.gz JSIAKFYJRCARBV-ROUUACIJSA-N 1 1 480.947 2.386 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164765290 721091041 /nfs/dbraw/zinc/09/10/41/721091041.db2.gz IVNJODVDPFOBCB-IAGOWNOFSA-N 1 1 467.952 2.203 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)C1 ZINC001164875372 721150234 /nfs/dbraw/zinc/15/02/34/721150234.db2.gz LCCXINLQPASSSS-VSKRKVRLSA-N 1 1 466.586 2.131 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)C[C@H]3C2)cn1 ZINC001164767275 721150949 /nfs/dbraw/zinc/15/09/49/721150949.db2.gz MFVFTHRICIBWFS-HZPDHXFCSA-N 1 1 452.390 2.312 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)C[C@@H]3C2)cn1 ZINC001164767273 721152114 /nfs/dbraw/zinc/15/21/14/721152114.db2.gz MFVFTHRICIBWFS-HOTGVXAUSA-N 1 1 452.390 2.312 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Oc5ccc(S(C)(=O)=O)cc5)n4)C[C@@H]3C2)cn1 ZINC001164767657 721178247 /nfs/dbraw/zinc/17/82/47/721178247.db2.gz KITOKLHVPQWQTK-MOPGFXCFSA-N 1 1 468.583 2.364 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Oc5ccc(S(C)(=O)=O)cc5)n4)C[C@@H]3C2)cn1 ZINC001164767658 721179569 /nfs/dbraw/zinc/17/95/69/721179569.db2.gz KITOKLHVPQWQTK-OALUTQOASA-N 1 1 468.583 2.364 20 0 JEADMO CNC(=O)[C@]12CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870596 721204787 /nfs/dbraw/zinc/20/47/87/721204787.db2.gz WBNMEUDNOKRFDU-FDDCHVKYSA-N 1 1 455.994 2.342 20 0 JEADMO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2c1 ZINC001164868547 721264005 /nfs/dbraw/zinc/26/40/05/721264005.db2.gz BKMBNQSBNOICHC-UHFFFAOYSA-N 1 1 475.977 2.077 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC2)C1 ZINC001164868957 721264841 /nfs/dbraw/zinc/26/48/41/721264841.db2.gz HBGYBSOOQQYSEF-UHFFFAOYSA-N 1 1 486.995 2.282 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C(=O)OCc4ccccc4)cn3)CC2)C1 ZINC001164878672 721286672 /nfs/dbraw/zinc/28/66/72/721286672.db2.gz SJPCQCLCLQBVRR-UHFFFAOYSA-N 1 1 466.582 2.446 20 0 JEADMO CN1CCN(Cc2cc3nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164769688 721296678 /nfs/dbraw/zinc/29/66/78/721296678.db2.gz LUYLGGWTUOGDBG-UHFFFAOYSA-N 1 1 497.713 2.197 20 0 JEADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778253 721342626 /nfs/dbraw/zinc/34/26/26/721342626.db2.gz LTGPKNJHTWGXJR-JOCHJYFZSA-N 1 1 476.603 2.494 20 0 JEADMO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778253 721342628 /nfs/dbraw/zinc/34/26/28/721342628.db2.gz LTGPKNJHTWGXJR-JOCHJYFZSA-N 1 1 476.603 2.494 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164776385 721346257 /nfs/dbraw/zinc/34/62/57/721346257.db2.gz AYLDKMZFAVEKLA-FQEVSTJZSA-N 1 1 469.995 2.106 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164776385 721346263 /nfs/dbraw/zinc/34/62/63/721346263.db2.gz AYLDKMZFAVEKLA-FQEVSTJZSA-N 1 1 469.995 2.106 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164779803 721347361 /nfs/dbraw/zinc/34/73/61/721347361.db2.gz WVCNPKAYJYZKLR-HSZRJFAPSA-N 1 1 459.547 2.386 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779803 721347362 /nfs/dbraw/zinc/34/73/62/721347362.db2.gz WVCNPKAYJYZKLR-HSZRJFAPSA-N 1 1 459.547 2.386 20 0 JEADMO COC(=O)CSc1cncc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786045 721369826 /nfs/dbraw/zinc/36/98/26/721369826.db2.gz VBGASVPRFNJQLV-JOCHJYFZSA-N 1 1 461.588 2.466 20 0 JEADMO COC(=O)CSc1cncc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164786045 721369833 /nfs/dbraw/zinc/36/98/33/721369833.db2.gz VBGASVPRFNJQLV-JOCHJYFZSA-N 1 1 461.588 2.466 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCOCC4)C3)O2)CC1 ZINC001164886088 721409764 /nfs/dbraw/zinc/40/97/64/721409764.db2.gz HUDABXLMVKFDSQ-LVXARBLLSA-N 1 1 466.630 2.232 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892510 721413618 /nfs/dbraw/zinc/41/36/18/721413618.db2.gz YPPHNFRHJPYDDG-HTAPYJJXSA-N 1 1 451.999 2.001 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC(C)=O ZINC001164893106 721425107 /nfs/dbraw/zinc/42/51/07/721425107.db2.gz JAHXNTMGKYFOJK-FQRUVTKNSA-N 1 1 497.596 2.246 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)O2)CC1 ZINC001164894302 721429729 /nfs/dbraw/zinc/42/97/29/721429729.db2.gz LLLDSYHBJOCUSS-MGPUTAFESA-N 1 1 457.953 2.144 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)O2)CC1 ZINC001164894307 721430272 /nfs/dbraw/zinc/43/02/72/721430272.db2.gz LLLDSYHBJOCUSS-YWZLYKJASA-N 1 1 457.953 2.144 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164899818 721430814 /nfs/dbraw/zinc/43/08/14/721430814.db2.gz ZFVVSMPZHZYBER-NYHFZMIOSA-N 1 1 462.982 2.163 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1C ZINC001164896536 721430913 /nfs/dbraw/zinc/43/09/13/721430913.db2.gz RLGKKDJUBKGSME-QMHKHESXSA-N 1 1 477.009 2.174 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164899819 721431090 /nfs/dbraw/zinc/43/10/90/721431090.db2.gz ZFVVSMPZHZYBER-OYHNWAKOSA-N 1 1 462.982 2.163 20 0 JEADMO COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(N2CCCCCC2)n1 ZINC001164898287 721432478 /nfs/dbraw/zinc/43/24/78/721432478.db2.gz VOVZEXANYVGKLF-RDPSFJRHSA-N 1 1 459.639 2.026 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164888723 721437032 /nfs/dbraw/zinc/43/70/32/721437032.db2.gz AOVHJJXIZOZPHW-AWRGLXIESA-N 1 1 479.691 2.314 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893725 721437133 /nfs/dbraw/zinc/43/71/33/721437133.db2.gz KDUVTSVHZLTSHW-QPPBQGQZSA-N 1 1 479.691 2.314 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893647 721437370 /nfs/dbraw/zinc/43/73/70/721437370.db2.gz JVEABADFKAXRSU-GBXCKJPGSA-N 1 1 479.691 2.314 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164787681 721452726 /nfs/dbraw/zinc/45/27/26/721452726.db2.gz PJIOWICUNKRKHY-LJQANCHMSA-N 1 1 475.586 2.389 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889690 721453560 /nfs/dbraw/zinc/45/35/60/721453560.db2.gz PFHZOCFRHHXVQA-VGSWGCGISA-N 1 1 451.015 2.035 20 0 JEADMO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164784728 721458511 /nfs/dbraw/zinc/45/85/11/721458511.db2.gz JXLSJZNOVAQOAM-LJQANCHMSA-N 1 1 462.591 2.396 20 0 JEADMO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164787148 721473209 /nfs/dbraw/zinc/47/32/09/721473209.db2.gz CSNOSLBSGOGIGT-KRWDZBQOSA-N 1 1 451.999 2.224 20 0 JEADMO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]12)N1CCCO1 ZINC001164789079 721480565 /nfs/dbraw/zinc/48/05/65/721480565.db2.gz ASYXNJBIPMQDSG-SFLYRZDNSA-N 1 1 463.582 2.430 20 0 JEADMO O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12)N1CCCO1 ZINC001164789079 721480569 /nfs/dbraw/zinc/48/05/69/721480569.db2.gz ASYXNJBIPMQDSG-SFLYRZDNSA-N 1 1 463.582 2.430 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C(=O)OCC ZINC001164900289 721522737 /nfs/dbraw/zinc/52/27/37/721522737.db2.gz PTUYFJHBJUESIQ-FUHWJXTLSA-N 1 1 458.490 2.311 20 0 JEADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164901293 721524816 /nfs/dbraw/zinc/52/48/16/721524816.db2.gz WKBSOSBRTYSAFZ-SJLPKXTDSA-N 1 1 456.547 2.404 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164911526 721545426 /nfs/dbraw/zinc/54/54/26/721545426.db2.gz XCHVAUVDULFOGW-PZJWPPBQSA-N 1 1 455.534 2.347 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164904005 721548600 /nfs/dbraw/zinc/54/86/00/721548600.db2.gz DXQKKGAPVOALOI-ZFWWWQNUSA-N 1 1 476.908 2.408 20 0 JEADMO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)C1=O ZINC001164909265 721556193 /nfs/dbraw/zinc/55/61/93/721556193.db2.gz UDEXTJKAVCAERK-QUCCMNQESA-N 1 1 453.518 2.393 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804732 721563564 /nfs/dbraw/zinc/56/35/64/721563564.db2.gz MPKCIUAHFZRNAG-ABSDTBQOSA-N 1 1 485.976 2.306 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804732 721563567 /nfs/dbraw/zinc/56/35/67/721563567.db2.gz MPKCIUAHFZRNAG-ABSDTBQOSA-N 1 1 485.976 2.306 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)CC1 ZINC001164798157 721564184 /nfs/dbraw/zinc/56/41/84/721564184.db2.gz AMQTZOVWZGLJPP-DPLHUUCSSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801611 721566967 /nfs/dbraw/zinc/56/69/67/721566967.db2.gz GYHSEUACWYSTSC-SJBKTWHCSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801611 721566971 /nfs/dbraw/zinc/56/69/71/721566971.db2.gz GYHSEUACWYSTSC-SJBKTWHCSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801608 721567017 /nfs/dbraw/zinc/56/70/17/721567017.db2.gz GYHSEUACWYSTSC-KCZVDYSFSA-N 1 1 457.600 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@H]21 ZINC001164801608 721567026 /nfs/dbraw/zinc/56/70/26/721567026.db2.gz GYHSEUACWYSTSC-KCZVDYSFSA-N 1 1 457.600 2.129 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810482 721571620 /nfs/dbraw/zinc/57/16/20/721571620.db2.gz YMDOJHDPBYBXBF-DYXWJJEUSA-N 1 1 450.543 2.408 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810482 721571622 /nfs/dbraw/zinc/57/16/22/721571622.db2.gz YMDOJHDPBYBXBF-DYXWJJEUSA-N 1 1 450.543 2.408 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806921 721577486 /nfs/dbraw/zinc/57/74/86/721577486.db2.gz NQGXKPMIWCIOKF-GIWBLDEGSA-N 1 1 459.616 2.375 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806921 721577491 /nfs/dbraw/zinc/57/74/91/721577491.db2.gz NQGXKPMIWCIOKF-GIWBLDEGSA-N 1 1 459.616 2.375 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2C1 ZINC001164806219 721578607 /nfs/dbraw/zinc/57/86/07/721578607.db2.gz MKQMGOOXCSWPKJ-FUPPJEDESA-N 1 1 452.559 2.254 20 0 JEADMO CCOC(=O)N1CCc2nnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2C1 ZINC001164806219 721578609 /nfs/dbraw/zinc/57/86/09/721578609.db2.gz MKQMGOOXCSWPKJ-FUPPJEDESA-N 1 1 452.559 2.254 20 0 JEADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164800296 721598049 /nfs/dbraw/zinc/59/80/49/721598049.db2.gz OQPRKWIIHAFSLA-TUACAJSNSA-N 1 1 456.550 2.064 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)c2c1C ZINC001164802925 721598752 /nfs/dbraw/zinc/59/87/52/721598752.db2.gz UBZZDMUFARZBON-YTQUADARSA-N 1 1 479.610 2.328 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c2c1C ZINC001164802918 721598896 /nfs/dbraw/zinc/59/88/96/721598896.db2.gz UBZZDMUFARZBON-NEWSRXKRSA-N 1 1 479.610 2.328 20 0 JEADMO C[C@@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009796 721691787 /nfs/dbraw/zinc/69/17/87/721691787.db2.gz RAAYUKPIMTYKOU-DRMXPCRNSA-N 1 1 451.575 2.026 20 0 JEADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CCN(Cc5cccc[nH+]5)C4)C3)c12 ZINC001164906517 721696390 /nfs/dbraw/zinc/69/63/90/721696390.db2.gz NERUCENDUPMBKB-FQEVSTJZSA-N 1 1 462.526 2.494 20 0 JEADMO O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCNCC1 ZINC001164904952 721714645 /nfs/dbraw/zinc/71/46/45/721714645.db2.gz FTRRWJGIWRNFHY-QHCPKHFHSA-N 1 1 456.541 2.260 20 0 JEADMO O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCNCC1 ZINC001164904952 721714651 /nfs/dbraw/zinc/71/46/51/721714651.db2.gz FTRRWJGIWRNFHY-QHCPKHFHSA-N 1 1 456.541 2.260 20 0 JEADMO COc1cc2nc(C)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164916053 721783457 /nfs/dbraw/zinc/78/34/57/721783457.db2.gz OLSWNVBDHPHNNF-VWLOTQADSA-N 1 1 465.554 2.458 20 0 JEADMO COc1cc2nc(C)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164916053 721783458 /nfs/dbraw/zinc/78/34/58/721783458.db2.gz OLSWNVBDHPHNNF-VWLOTQADSA-N 1 1 465.554 2.458 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165024678 721791316 /nfs/dbraw/zinc/79/13/16/721791316.db2.gz SMIGLIMGVQYSHZ-SFHLNBCPSA-N 1 1 492.624 2.375 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001165029023 721823923 /nfs/dbraw/zinc/82/39/23/721823923.db2.gz WLLMFGDMDQLVOF-WTIAFYNJSA-N 1 1 471.627 2.234 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@H]21 ZINC001165030206 721827245 /nfs/dbraw/zinc/82/72/45/721827245.db2.gz YVGQCFUPJJFZSG-MDNUFGMLSA-N 1 1 483.638 2.084 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932349 721884003 /nfs/dbraw/zinc/88/40/03/721884003.db2.gz IZLLIURKKCDPPH-WOJBJXKFSA-N 1 1 451.543 2.375 20 0 JEADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932349 721884004 /nfs/dbraw/zinc/88/40/04/721884004.db2.gz IZLLIURKKCDPPH-WOJBJXKFSA-N 1 1 451.543 2.375 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCS(=O)(=O)CC5)cn4)CC3)C2)cc1 ZINC001164940686 721931781 /nfs/dbraw/zinc/93/17/81/721931781.db2.gz WYBKRGANWVZKJU-UHFFFAOYSA-N 1 1 498.649 2.132 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc-2n1 ZINC001164947002 721973979 /nfs/dbraw/zinc/97/39/79/721973979.db2.gz ZXEQMNUGNVJUNM-UHFFFAOYSA-N 1 1 463.538 2.329 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc-2n1 ZINC001164947002 721973981 /nfs/dbraw/zinc/97/39/81/721973981.db2.gz ZXEQMNUGNVJUNM-UHFFFAOYSA-N 1 1 463.538 2.329 20 0 JEADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C[C@H]21 ZINC001164959042 722039493 /nfs/dbraw/zinc/03/94/93/722039493.db2.gz GBSBUDHVDAWPQX-WIRSXHRWSA-N 1 1 457.619 2.087 20 0 JEADMO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C(=O)OCC ZINC001164964909 722054477 /nfs/dbraw/zinc/05/44/77/722054477.db2.gz ZJKLVNRJCIPFCJ-UHFFFAOYSA-N 1 1 483.569 2.344 20 0 JEADMO Clc1ncc(N2CCOCC2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963988 722056459 /nfs/dbraw/zinc/05/64/59/722056459.db2.gz QKMXOKLRBOPAFT-UHFFFAOYSA-N 1 1 458.994 2.481 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963361 722058358 /nfs/dbraw/zinc/05/83/58/722058358.db2.gz XMDYFKTZUFVKPI-UHFFFAOYSA-N 1 1 496.612 2.004 20 0 JEADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1=O ZINC001164967810 722074979 /nfs/dbraw/zinc/07/49/79/722074979.db2.gz XKOXENKRQUSSTN-IXFSTUDKSA-N 1 1 479.000 2.316 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CN(CC(=O)N(C)C)S3(=O)=O)CC2)nc1 ZINC001164969842 722087658 /nfs/dbraw/zinc/08/76/58/722087658.db2.gz APFBOBIMAHDWMC-BHDDXSALSA-N 1 1 477.675 2.337 20 0 JEADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@H]3CC2)nc1 ZINC001164969843 722087707 /nfs/dbraw/zinc/08/77/07/722087707.db2.gz APFBOBIMAHDWMC-VSKRKVRLSA-N 1 1 477.675 2.337 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980545 722115541 /nfs/dbraw/zinc/11/55/41/722115541.db2.gz RSZLJFNECWEUQN-UTKZUKDTSA-N 1 1 451.527 2.480 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979583 722134761 /nfs/dbraw/zinc/13/47/61/722134761.db2.gz LIJZEKMCJDCMEA-QAPCUYQASA-N 1 1 487.960 2.050 20 0 JEADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972682 722138616 /nfs/dbraw/zinc/13/86/16/722138616.db2.gz AGYSPCAVQNXFSW-FGZHOGPDSA-N 1 1 464.618 2.194 20 0 JEADMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972531 722139231 /nfs/dbraw/zinc/13/92/31/722139231.db2.gz AAULPEDUZKCHBD-SFTDATJTSA-N 1 1 453.591 2.383 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)N1CCCCC1 ZINC001164974255 722140662 /nfs/dbraw/zinc/14/06/62/722140662.db2.gz CWZPQPUVUQTXEH-GMAHTHKFSA-N 1 1 471.627 2.379 20 0 JEADMO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164971055 722159427 /nfs/dbraw/zinc/15/94/27/722159427.db2.gz ABCRZRQEJGCSCM-UHFFFAOYSA-N 1 1 458.566 2.366 20 0 JEADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997591 722235870 /nfs/dbraw/zinc/23/58/70/722235870.db2.gz RISLEMLHDQJUQS-UHFFFAOYSA-N 1 1 474.613 2.163 20 0 JEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165001237 722236529 /nfs/dbraw/zinc/23/65/29/722236529.db2.gz FCTWGFDORJEYIV-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@H]3C2)nc1)C1CC1 ZINC001164430437 718956520 /nfs/dbraw/zinc/95/65/20/718956520.db2.gz VFIUOWUAYZEWCI-AJTFRIOCSA-N 1 1 491.640 2.048 20 0 JEADMO CN(C)C(=O)CN1CC[C@]2(CN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2c2ccccc2)C1=O ZINC001164630601 719143964 /nfs/dbraw/zinc/14/39/64/719143964.db2.gz JPORMNPIAYVSQE-RBJSKKJNSA-N 1 1 491.636 2.465 20 0 JEADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4cc(OC)c(OC)cc43)CC2)C1=O ZINC001164632646 719272662 /nfs/dbraw/zinc/27/26/62/719272662.db2.gz ANYPNZJDDNCALB-UHFFFAOYSA-N 1 1 463.966 2.060 20 0 JEADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4cc(OC)c(OC)cc43)CC2)C1=O ZINC001164632646 719272664 /nfs/dbraw/zinc/27/26/64/719272664.db2.gz ANYPNZJDDNCALB-UHFFFAOYSA-N 1 1 463.966 2.060 20 0 JEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C[C@H]2CCCO[C@H]21 ZINC001164651341 719320857 /nfs/dbraw/zinc/32/08/57/719320857.db2.gz GXZXQGUEDYNVCZ-ODOSVJCGSA-N 1 1 455.559 2.265 20 0 JEADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@H](F)Oc4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663895 719357736 /nfs/dbraw/zinc/35/77/36/719357736.db2.gz IMYFERVBWPIHSE-ICSRJNTNSA-N 1 1 451.934 2.237 20 0 JEADMO CN1CCN(c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)CC1 ZINC001164683394 719658506 /nfs/dbraw/zinc/65/85/06/719658506.db2.gz VFVKVIRAHKNSLR-JOCHJYFZSA-N 1 1 491.684 2.322 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164687542 719719488 /nfs/dbraw/zinc/71/94/88/719719488.db2.gz ZIACCSJMZGZSRX-LJQANCHMSA-N 1 1 455.607 2.137 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164686535 719719566 /nfs/dbraw/zinc/71/95/66/719719566.db2.gz PBEIZQUSLKCBBO-LJQANCHMSA-N 1 1 469.634 2.161 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN([C@@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164689511 719736528 /nfs/dbraw/zinc/73/65/28/719736528.db2.gz FRPHJUNFLGKAJN-QHCPKHFHSA-N 1 1 494.015 2.173 20 0 JEADMO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)CC2 ZINC001164690245 719748818 /nfs/dbraw/zinc/74/88/18/719748818.db2.gz WPLKAQKQHSPEBB-UHFFFAOYSA-N 1 1 461.563 2.202 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)CC2 ZINC001164690245 719748827 /nfs/dbraw/zinc/74/88/27/719748827.db2.gz WPLKAQKQHSPEBB-UHFFFAOYSA-N 1 1 461.563 2.202 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@H]4C3)c2)CC1 ZINC001164697158 719820250 /nfs/dbraw/zinc/82/02/50/719820250.db2.gz AEGGJMINPRLKOZ-YGOYIFOWSA-N 1 1 465.598 2.292 20 0 JEADMO Clc1nc(N2CCOCC2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164695029 719889325 /nfs/dbraw/zinc/88/93/25/719889325.db2.gz JLXOCZSOXDXYHG-UHFFFAOYSA-N 1 1 450.996 2.295 20 0 JEADMO Clc1nc(N2CCOCC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695029 719889329 /nfs/dbraw/zinc/88/93/29/719889329.db2.gz JLXOCZSOXDXYHG-UHFFFAOYSA-N 1 1 450.996 2.295 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708610 719933080 /nfs/dbraw/zinc/93/30/80/719933080.db2.gz NBQAEGGMJDMYGA-OAQYLSRUSA-N 1 1 451.619 2.312 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164712502 720104453 /nfs/dbraw/zinc/10/44/53/720104453.db2.gz WFOMTQAXUZXEHC-LJQANCHMSA-N 1 1 474.009 2.264 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)CC2 ZINC001164718596 720107883 /nfs/dbraw/zinc/10/78/83/720107883.db2.gz SZHMEQCIZXHENK-NRFANRHFSA-N 1 1 492.628 2.102 20 0 JEADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCNCC1)CC2 ZINC001164710411 720128222 /nfs/dbraw/zinc/12/82/22/720128222.db2.gz AZUNCTWEEUJUNC-QFIPXVFZSA-N 1 1 464.614 2.030 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCNCC1)CC2 ZINC001164710411 720128227 /nfs/dbraw/zinc/12/82/27/720128227.db2.gz AZUNCTWEEUJUNC-QFIPXVFZSA-N 1 1 464.614 2.030 20 0 JEADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711719 720138844 /nfs/dbraw/zinc/13/88/44/720138844.db2.gz IJANGSPCFCDICA-XRSWDHFMSA-N 1 1 487.626 2.293 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164710863 720141061 /nfs/dbraw/zinc/14/10/61/720141061.db2.gz FEOAZQLLWHYDNC-HXUWFJFHSA-N 1 1 459.616 2.282 20 0 JEADMO CCOC(=O)c1cc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2[nH]1 ZINC001164715976 720190482 /nfs/dbraw/zinc/19/04/82/720190482.db2.gz NIIMZVHDDFYRTK-IBGZPJMESA-N 1 1 453.547 2.084 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)C1=O ZINC001164812194 720232361 /nfs/dbraw/zinc/23/23/61/720232361.db2.gz CUFZDOHSXVADHQ-UHFFFAOYSA-N 1 1 459.982 2.301 20 0 JEADMO O=C(NC[C@H]1CC[C@@]2(COCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1cnccn1 ZINC001164820263 720273477 /nfs/dbraw/zinc/27/34/77/720273477.db2.gz VGPWVZYEBKWGRU-NTKDMRAZSA-N 1 1 487.004 2.305 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164722805 720301123 /nfs/dbraw/zinc/30/11/23/720301123.db2.gz LVAXLCWEUSPPAC-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164722805 720301131 /nfs/dbraw/zinc/30/11/31/720301131.db2.gz LVAXLCWEUSPPAC-HSZRJFAPSA-N 1 1 452.584 2.418 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842169 720578114 /nfs/dbraw/zinc/57/81/14/720578114.db2.gz XBJISLSDDBKPEX-TUNNFDKTSA-N 1 1 483.617 2.064 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842256 720604218 /nfs/dbraw/zinc/60/42/18/720604218.db2.gz VDCWXABAEOIHJK-RZUBCFFCSA-N 1 1 458.632 2.440 20 0 JEADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842254 720605769 /nfs/dbraw/zinc/60/57/69/720605769.db2.gz VDCWXABAEOIHJK-JAXLGGSGSA-N 1 1 458.632 2.440 20 0 JEADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742012 720692991 /nfs/dbraw/zinc/69/29/91/720692991.db2.gz VIHWVANDOCZOCJ-UXLLHSPISA-N 1 1 456.938 2.311 20 0 JEADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164736764 720696397 /nfs/dbraw/zinc/69/63/97/720696397.db2.gz BAKOLUREFXJFJJ-QKNQBKEWSA-N 1 1 478.601 2.113 20 0 JEADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)N3CCOCC3)cn1)CC2 ZINC001164841632 720711439 /nfs/dbraw/zinc/71/14/39/720711439.db2.gz VDVOXFNVBJEPAV-QFIPXVFZSA-N 1 1 486.638 2.362 20 0 JEADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164745858 720736300 /nfs/dbraw/zinc/73/63/00/720736300.db2.gz WAYYOLOPFIMUAS-IAGOWNOFSA-N 1 1 470.574 2.490 20 0 JEADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737842 720784612 /nfs/dbraw/zinc/78/46/12/720784612.db2.gz CZOLQHYCPWATQY-IAGOWNOFSA-N 1 1 488.520 2.293 20 0 JEADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751138 720810461 /nfs/dbraw/zinc/81/04/61/720810461.db2.gz WWRHOKROXTTZBL-YQVWRLOYSA-N 1 1 457.604 2.346 20 0 JEADMO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751139 720810598 /nfs/dbraw/zinc/81/05/98/720810598.db2.gz WWRHOKROXTTZBL-ZHALLVOQSA-N 1 1 457.604 2.346 20 0 JEADMO c1cc2nc(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164741825 720816441 /nfs/dbraw/zinc/81/64/41/720816441.db2.gz ONONFGKCHSPOQC-DYXWJJEUSA-N 1 1 480.642 2.499 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc-2n1 ZINC001164743326 720826546 /nfs/dbraw/zinc/82/65/46/720826546.db2.gz SGFJZNDWLMAXQE-CBGDNZLLSA-N 1 1 465.558 2.329 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c21 ZINC001164847685 720833080 /nfs/dbraw/zinc/83/30/80/720833080.db2.gz KGBGOFKNUXTXRI-HKUYNNGSSA-N 1 1 453.543 2.233 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1C ZINC001164747390 720844460 /nfs/dbraw/zinc/84/44/60/720844460.db2.gz QKSYMQXNPTZCOC-XYJFISCASA-N 1 1 484.992 2.379 20 0 JEADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164751819 720844702 /nfs/dbraw/zinc/84/47/02/720844702.db2.gz YYOUZEFLQLFOAE-HLLBOEOZSA-N 1 1 470.965 2.369 20 0 JEADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(N2CCCCCC2)n1 ZINC001164751017 720846060 /nfs/dbraw/zinc/84/60/60/720846060.db2.gz XSCQNTCGEZTNMH-QHAWAJNXSA-N 1 1 467.622 2.232 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)N1CCCCC1 ZINC001164747975 720847230 /nfs/dbraw/zinc/84/72/30/720847230.db2.gz SCSLHVANYJLDLD-QNWVGRARSA-N 1 1 485.658 2.227 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC[C@@H]2C1 ZINC001164852726 720855176 /nfs/dbraw/zinc/85/51/76/720855176.db2.gz FOSQKDUIIZZOIH-XMSQKQJNSA-N 1 1 470.618 2.422 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1C(=O)OCC ZINC001164743896 720861072 /nfs/dbraw/zinc/86/10/72/720861072.db2.gz ATCPSVHHPYITKY-XQBPLPMBSA-N 1 1 482.585 2.406 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC[C@H]2C1 ZINC001164854053 720862797 /nfs/dbraw/zinc/86/27/97/720862797.db2.gz INGLVINHAOWWEU-UGKGYDQZSA-N 1 1 453.591 2.097 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@@H]2C1 ZINC001164855770 720880025 /nfs/dbraw/zinc/88/00/25/720880025.db2.gz HVIPMZNDHUAZOE-CJNGLKHVSA-N 1 1 452.968 2.012 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@@H]2C1 ZINC001164855777 720880053 /nfs/dbraw/zinc/88/00/53/720880053.db2.gz HVIPMZNDHUAZOE-CZUORRHYSA-N 1 1 452.968 2.012 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)CC[C@H]2C1 ZINC001164853393 720882058 /nfs/dbraw/zinc/88/20/58/720882058.db2.gz CJNQJZOKIRMGGA-KKSFZXQISA-N 1 1 482.553 2.334 20 0 JEADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(S(C)(=O)=O)n1 ZINC001164755603 720891196 /nfs/dbraw/zinc/89/11/96/720891196.db2.gz MDXOLEILSCXMLZ-GBXCKJPGSA-N 1 1 487.626 2.039 20 0 JEADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755399 720897218 /nfs/dbraw/zinc/89/72/18/720897218.db2.gz LVVAGASNMWWIDN-CUBQBAPOSA-N 1 1 490.652 2.277 20 0 JEADMO O=C(c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)N1CCNCC1 ZINC001164755399 720897219 /nfs/dbraw/zinc/89/72/19/720897219.db2.gz LVVAGASNMWWIDN-CUBQBAPOSA-N 1 1 490.652 2.277 20 0 JEADMO CN1CCN(c2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164754225 720924913 /nfs/dbraw/zinc/92/49/13/720924913.db2.gz URRZBMVBJZBTHP-IGKIAQTJSA-N 1 1 477.657 2.379 20 0 JEADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164746483 720925618 /nfs/dbraw/zinc/92/56/18/720925618.db2.gz AWAQXLNBXLDFCC-VMODYCNZSA-N 1 1 491.640 2.081 20 0 JEADMO CN1CCN(c2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164754227 720925894 /nfs/dbraw/zinc/92/58/94/720925894.db2.gz URRZBMVBJZBTHP-SHQCIBLASA-N 1 1 477.657 2.379 20 0 JEADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)C1=O ZINC001164749021 720942957 /nfs/dbraw/zinc/94/29/57/720942957.db2.gz HJWLTMWDTVQNQA-HSZRJFAPSA-N 1 1 496.077 2.041 20 0 JEADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164746514 720943192 /nfs/dbraw/zinc/94/31/92/720943192.db2.gz BGAFJWKMLNJMFG-OFVILXPXSA-N 1 1 489.686 2.339 20 0 JEADMO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164749548 720951875 /nfs/dbraw/zinc/95/18/75/720951875.db2.gz HOOXLONTOCUKQM-UHFFFAOYSA-N 1 1 460.582 2.482 20 0 JEADMO c1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164867089 721059937 /nfs/dbraw/zinc/05/99/37/721059937.db2.gz HSNJOEZFIKLFEO-OALUTQOASA-N 1 1 452.584 2.403 20 0 JEADMO COCCOc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OCCOC ZINC001164762147 721090425 /nfs/dbraw/zinc/09/04/25/721090425.db2.gz CSDFUPKCJRJITJ-RTWAWAEBSA-N 1 1 496.612 2.372 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ccn5S(=O)(=O)c4ccccc4)C[C@H]3C2)cn1 ZINC001164768160 721105657 /nfs/dbraw/zinc/10/56/57/721105657.db2.gz NNBZAAGCMJRMMD-VQTJNVASSA-N 1 1 477.594 2.360 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164865975 721111342 /nfs/dbraw/zinc/11/13/42/721111342.db2.gz QPPLWVLKQVOCGZ-FGZHOGPDSA-N 1 1 466.586 2.131 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)C1 ZINC001164875370 721148845 /nfs/dbraw/zinc/14/88/45/721148845.db2.gz LCCXINLQPASSSS-FSSWDIPSSA-N 1 1 466.586 2.131 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164872290 721152421 /nfs/dbraw/zinc/15/24/21/721152421.db2.gz HHRZPCDLMSWRET-JBACZVJFSA-N 1 1 459.616 2.423 20 0 JEADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1N1CCOCC1 ZINC001164870936 721198451 /nfs/dbraw/zinc/19/84/51/721198451.db2.gz XPOZLNBVKXTOJL-IRXDYDNUSA-N 1 1 465.385 2.495 20 0 JEADMO CNC(=O)[C@@]12CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870605 721205416 /nfs/dbraw/zinc/20/54/16/721205416.db2.gz WBNMEUDNOKRFDU-MBSDFSHPSA-N 1 1 455.994 2.342 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)n2)CC1 ZINC001164874975 721258527 /nfs/dbraw/zinc/25/85/27/721258527.db2.gz KXUACCUQSDTFOB-OFVILXPXSA-N 1 1 450.587 2.176 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164874183 721260710 /nfs/dbraw/zinc/26/07/10/721260710.db2.gz JISKMTQKOATEFX-UHFFFAOYSA-N 1 1 475.615 2.183 20 0 JEADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164868952 721269388 /nfs/dbraw/zinc/26/93/88/721269388.db2.gz GUTFMSJLUWERQA-UHFFFAOYSA-N 1 1 452.983 2.227 20 0 JEADMO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc2ccccc21 ZINC001164869008 721271943 /nfs/dbraw/zinc/27/19/43/721271943.db2.gz IXRHQXWXAZJYGI-UHFFFAOYSA-N 1 1 454.571 2.419 20 0 JEADMO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2)OCC ZINC001164868888 721274667 /nfs/dbraw/zinc/27/46/67/721274667.db2.gz FYZHCAJCSGJKNM-UHFFFAOYSA-N 1 1 484.041 2.079 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164873557 721276053 /nfs/dbraw/zinc/27/60/53/721276053.db2.gz OKCGEPGMNIRZMN-UHFFFAOYSA-N 1 1 462.598 2.487 20 0 JEADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164873490 721279197 /nfs/dbraw/zinc/27/91/97/721279197.db2.gz NBRQMPUHWROUKA-UHFFFAOYSA-N 1 1 454.571 2.419 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(-c4ccc(N(C)C)cc4)n3)CC2)C1 ZINC001164872731 721280838 /nfs/dbraw/zinc/28/08/38/721280838.db2.gz FDNVHZBTCZBRSC-UHFFFAOYSA-N 1 1 452.603 2.217 20 0 JEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164872892 721281718 /nfs/dbraw/zinc/28/17/18/721281718.db2.gz HKBRQZABQRRFBP-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164787073 721366576 /nfs/dbraw/zinc/36/65/76/721366576.db2.gz YKGZUVCJQNAUOE-JOCHJYFZSA-N 1 1 463.604 2.104 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164787073 721366582 /nfs/dbraw/zinc/36/65/82/721366582.db2.gz YKGZUVCJQNAUOE-JOCHJYFZSA-N 1 1 463.604 2.104 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccsc5c(N5CCOCC5)n4)C3)O2)CC1 ZINC001164889761 721391205 /nfs/dbraw/zinc/39/12/05/721391205.db2.gz MFBYDQDBEIUDPR-DVECYGJZSA-N 1 1 472.659 2.293 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164892512 721413454 /nfs/dbraw/zinc/41/34/54/721413454.db2.gz YPPHNFRHJPYDDG-JTSKRJEESA-N 1 1 451.999 2.001 20 0 JEADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884722 721420662 /nfs/dbraw/zinc/42/06/62/721420662.db2.gz FKBVAUQTRJVOKO-SQJMNOBHSA-N 1 1 451.619 2.370 20 0 JEADMO COC(=O)c1c(Cl)cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164899882 721429269 /nfs/dbraw/zinc/42/92/69/721429269.db2.gz ZLJVYYBNOXMUCT-ZHRRBRCNSA-N 1 1 452.983 2.296 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1=O ZINC001164897113 721430244 /nfs/dbraw/zinc/43/02/44/721430244.db2.gz SPCHHMDLDULTDS-HXOBKFHXSA-N 1 1 463.026 2.260 20 0 JEADMO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(N2CCCCCC2)n1 ZINC001164898276 721432790 /nfs/dbraw/zinc/43/27/90/721432790.db2.gz VOVZEXANYVGKLF-GBXCKJPGSA-N 1 1 459.639 2.026 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164890421 721451800 /nfs/dbraw/zinc/45/18/00/721451800.db2.gz RRPVPPQKUHCQFF-JLHGSKIFSA-N 1 1 451.999 2.172 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1C(=O)OCC ZINC001164887339 721452316 /nfs/dbraw/zinc/45/23/16/721452316.db2.gz JRNAWPGHTQYDAW-KBMIEXCESA-N 1 1 474.602 2.200 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1C(=O)OCC ZINC001164887342 721452676 /nfs/dbraw/zinc/45/26/76/721452676.db2.gz JRNAWPGHTQYDAW-UQBPGWFLSA-N 1 1 474.602 2.200 20 0 JEADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1C(=O)OCC ZINC001164887335 721452709 /nfs/dbraw/zinc/45/27/09/721452709.db2.gz JRNAWPGHTQYDAW-DFBJGRDBSA-N 1 1 474.602 2.200 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164789922 721457898 /nfs/dbraw/zinc/45/78/98/721457898.db2.gz YNBYPTAFSPVYOE-KRWDZBQOSA-N 1 1 473.039 2.116 20 0 JEADMO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164892063 721458105 /nfs/dbraw/zinc/45/81/05/721458105.db2.gz WJEUMFJHTDIHJI-AWDZXFJFSA-N 1 1 499.656 2.143 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164787773 721462041 /nfs/dbraw/zinc/46/20/41/721462041.db2.gz SEESFDONDHCZNA-SFHVURJKSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787773 721462044 /nfs/dbraw/zinc/46/20/44/721462044.db2.gz SEESFDONDHCZNA-SFHVURJKSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164787773 721462046 /nfs/dbraw/zinc/46/20/46/721462046.db2.gz SEESFDONDHCZNA-SFHVURJKSA-N 1 1 457.575 2.478 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164787963 721468547 /nfs/dbraw/zinc/46/85/47/721468547.db2.gz GZVDLKOUOZBWMZ-OAQYLSRUSA-N 1 1 453.587 2.361 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164788771 721470146 /nfs/dbraw/zinc/47/01/46/721470146.db2.gz KEQRZFBOVBIMEX-QGZVFWFLSA-N 1 1 473.039 2.116 20 0 JEADMO Cn1cnc2c1nc(N1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)nc2N1CCOCC1 ZINC001164792933 721493537 /nfs/dbraw/zinc/49/35/37/721493537.db2.gz VOFFMSMCNYCBSA-UHFFFAOYSA-N 1 1 462.602 2.476 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)CC1 ZINC001164808843 721566671 /nfs/dbraw/zinc/56/66/71/721566671.db2.gz VXOOOYUVDDLMAF-FSSWDIPSSA-N 1 1 466.586 2.129 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807981 721571313 /nfs/dbraw/zinc/57/13/13/721571313.db2.gz UFTCNNGPMNUCOQ-KSZLIROESA-N 1 1 487.960 2.191 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807981 721571314 /nfs/dbraw/zinc/57/13/14/721571314.db2.gz UFTCNNGPMNUCOQ-KSZLIROESA-N 1 1 487.960 2.191 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807987 721571564 /nfs/dbraw/zinc/57/15/64/721571564.db2.gz UFTCNNGPMNUCOQ-KZNAEPCWSA-N 1 1 487.960 2.191 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807987 721571566 /nfs/dbraw/zinc/57/15/66/721571566.db2.gz UFTCNNGPMNUCOQ-KZNAEPCWSA-N 1 1 487.960 2.191 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804731 721576427 /nfs/dbraw/zinc/57/64/27/721576427.db2.gz MOXOJFYVEOOSEL-YPAWHYETSA-N 1 1 464.618 2.335 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804731 721576429 /nfs/dbraw/zinc/57/64/29/721576429.db2.gz MOXOJFYVEOOSEL-YPAWHYETSA-N 1 1 464.618 2.335 20 0 JEADMO COc1cc2nc(C)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164916052 721782964 /nfs/dbraw/zinc/78/29/64/721782964.db2.gz OLSWNVBDHPHNNF-RUZDIDTESA-N 1 1 465.554 2.458 20 0 JEADMO COc1cc2nc(C)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164916052 721782965 /nfs/dbraw/zinc/78/29/65/721782965.db2.gz OLSWNVBDHPHNNF-RUZDIDTESA-N 1 1 465.554 2.458 20 0 JEADMO CCOC(=O)c1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164917783 721783300 /nfs/dbraw/zinc/78/33/00/721783300.db2.gz ZGDGTPPFLOEKTD-RUZDIDTESA-N 1 1 463.538 2.309 20 0 JEADMO CCOC(=O)c1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164917783 721783304 /nfs/dbraw/zinc/78/33/04/721783304.db2.gz ZGDGTPPFLOEKTD-RUZDIDTESA-N 1 1 463.538 2.309 20 0 JEADMO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165019981 721787021 /nfs/dbraw/zinc/78/70/21/721787021.db2.gz LLJQXHNGFMCNCJ-AREMUKBSSA-N 1 1 465.598 2.125 20 0 JEADMO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165019981 721787030 /nfs/dbraw/zinc/78/70/30/721787030.db2.gz LLJQXHNGFMCNCJ-AREMUKBSSA-N 1 1 465.598 2.125 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@H]21 ZINC001165030207 721827060 /nfs/dbraw/zinc/82/70/60/721827060.db2.gz YVGQCFUPJJFZSG-YMPZKCBVSA-N 1 1 483.638 2.084 20 0 JEADMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCn3ccnc3C2)n1 ZINC001165028347 721829223 /nfs/dbraw/zinc/82/92/23/721829223.db2.gz VOHJORLNTFBVIW-JBACZVJFSA-N 1 1 475.601 2.229 20 0 JEADMO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CCO3)C2)cs1 ZINC001164924572 721833903 /nfs/dbraw/zinc/83/39/03/721833903.db2.gz NHTQPTNIMWUHKQ-DEOSSOPVSA-N 1 1 473.643 2.427 20 0 JEADMO COCCN1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1=O ZINC001164919696 721842441 /nfs/dbraw/zinc/84/24/41/721842441.db2.gz CLGIWXUOSZKZMC-ISKFKSNPSA-N 1 1 450.583 2.340 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164928508 721851601 /nfs/dbraw/zinc/85/16/01/721851601.db2.gz NTMRREGLOKIXSK-SFTDATJTSA-N 1 1 454.600 2.191 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164928508 721851603 /nfs/dbraw/zinc/85/16/03/721851603.db2.gz NTMRREGLOKIXSK-SFTDATJTSA-N 1 1 454.600 2.191 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921391 721867268 /nfs/dbraw/zinc/86/72/68/721867268.db2.gz CLJRILTUOPNVLU-LEWJYISDSA-N 1 1 497.621 2.275 20 0 JEADMO COC(=O)c1cc2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921391 721867270 /nfs/dbraw/zinc/86/72/70/721867270.db2.gz CLJRILTUOPNVLU-LEWJYISDSA-N 1 1 497.621 2.275 20 0 JEADMO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037060 721916057 /nfs/dbraw/zinc/91/60/57/721916057.db2.gz GBCYSWMSJJFYRD-KKSFZXQISA-N 1 1 452.962 2.294 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947058 721976735 /nfs/dbraw/zinc/97/67/35/721976735.db2.gz NLPYVBDGCRPIFI-UHFFFAOYSA-N 1 1 462.554 2.116 20 0 JEADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947058 721976739 /nfs/dbraw/zinc/97/67/39/721976739.db2.gz NLPYVBDGCRPIFI-UHFFFAOYSA-N 1 1 462.554 2.116 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955256 722020022 /nfs/dbraw/zinc/02/00/22/722020022.db2.gz CEXPJLDUNWPIFT-UHFFFAOYSA-N 1 1 466.586 2.377 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164962271 722057731 /nfs/dbraw/zinc/05/77/31/722057731.db2.gz CEOPEHIBNTTYGA-UHFFFAOYSA-N 1 1 480.613 2.380 20 0 JEADMO O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164960720 722059723 /nfs/dbraw/zinc/05/97/23/722059723.db2.gz JDMQKFIQVJIYSB-UHFFFAOYSA-N 1 1 457.600 2.036 20 0 JEADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164968492 722079437 /nfs/dbraw/zinc/07/94/37/722079437.db2.gz BROMTXJWNZPPHV-PUAOIOHZSA-N 1 1 482.654 2.339 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164972256 722079506 /nfs/dbraw/zinc/07/95/06/722079506.db2.gz YYVFHXOPLRIXEE-DEOSSOPVSA-N 1 1 468.627 2.093 20 0 JEADMO O=S(=O)(c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCCCC1 ZINC001164974256 722140464 /nfs/dbraw/zinc/14/04/64/722140464.db2.gz CWZPQPUVUQTXEH-JTHBVZDNSA-N 1 1 471.627 2.379 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164972614 722143698 /nfs/dbraw/zinc/14/36/98/722143698.db2.gz AEWZWNZKOUKBMP-DENIHFKCSA-N 1 1 471.989 2.330 20 0 JEADMO O=C(c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164972626 722143738 /nfs/dbraw/zinc/14/37/38/722143738.db2.gz AEWZWNZKOUKBMP-SIKLNZKXSA-N 1 1 471.989 2.330 20 0 JEADMO O=S(=O)(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164978956 722148917 /nfs/dbraw/zinc/14/89/17/722148917.db2.gz LEUVQVXLUUTJCJ-VXKWHMMOSA-N 1 1 471.627 2.379 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2C1 ZINC001164973975 722158387 /nfs/dbraw/zinc/15/83/87/722158387.db2.gz NPPOPEZKLLTHEK-ZRCGQRJVSA-N 1 1 451.571 2.267 20 0 JEADMO O=C(c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164995804 722209627 /nfs/dbraw/zinc/20/96/27/722209627.db2.gz KTWZHVKCJXRDBL-DEOSSOPVSA-N 1 1 472.586 2.336 20 0 JEADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001164997569 722234347 /nfs/dbraw/zinc/23/43/47/722234347.db2.gz QICGDHKCUXLUMG-UHFFFAOYSA-N 1 1 458.010 2.364 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc4c(Cl)ncnc4c2)CC3)CC1 ZINC001165002286 722236340 /nfs/dbraw/zinc/23/63/40/722236340.db2.gz SQSOECMIBOYAOP-UHFFFAOYSA-N 1 1 460.920 2.370 20 0 JEADMO COC(=O)C[C@H](c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1)C1CC1 ZINC001165001597 722236955 /nfs/dbraw/zinc/23/69/55/722236955.db2.gz JZDFWELHCOFIOZ-NRFANRHFSA-N 1 1 450.587 2.285 20 0 JEADMO COc1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)c(OC)c1OC ZINC001165002263 722239211 /nfs/dbraw/zinc/23/92/11/722239211.db2.gz SHHRVQSVGTVQHH-UHFFFAOYSA-N 1 1 491.596 2.316 20 0 JEADMO O=C(NC[C@@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1)c1ccnnc1 ZINC001165005942 722241166 /nfs/dbraw/zinc/24/11/66/722241166.db2.gz WGXNBMKXPBNLKF-OAQYLSRUSA-N 1 1 495.591 2.088 20 0 JEADMO O=C(NC[C@@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1)c1ccnnc1 ZINC001165005942 722241168 /nfs/dbraw/zinc/24/11/68/722241168.db2.gz WGXNBMKXPBNLKF-OAQYLSRUSA-N 1 1 495.591 2.088 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)CC2 ZINC001164686728 719720439 /nfs/dbraw/zinc/72/04/39/719720439.db2.gz QPXPZAKYTCELQV-UHFFFAOYSA-N 1 1 467.618 2.429 20 0 JEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)CC2 ZINC001164690135 719749643 /nfs/dbraw/zinc/74/96/43/719749643.db2.gz UGRZJDDPEIULIP-UHFFFAOYSA-N 1 1 455.559 2.350 20 0 JEADMO C[NH+]1CCN(c2nccc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)n2)CC1 ZINC001164697645 719830474 /nfs/dbraw/zinc/83/04/74/719830474.db2.gz PWZLCOYOAHWJSS-UHFFFAOYSA-N 1 1 472.597 2.133 20 0 JEADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c21 ZINC001164700893 719838700 /nfs/dbraw/zinc/83/87/00/719838700.db2.gz KZUAJHWZFUAEQV-SSOJOUAXSA-N 1 1 481.553 2.292 20 0 JEADMO CCOC(=O)c1sc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1C ZINC001164700508 719838845 /nfs/dbraw/zinc/83/88/45/719838845.db2.gz KXOABUYPFGGEOR-QRQCRPRQSA-N 1 1 462.572 2.409 20 0 JEADMO O=C(NC1CCOCC1)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC001164705387 719901417 /nfs/dbraw/zinc/90/14/17/719901417.db2.gz BFDXKUHBCDFVMA-UHFFFAOYSA-N 1 1 457.600 2.318 20 0 JEADMO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710550 720082859 /nfs/dbraw/zinc/08/28/59/720082859.db2.gz JHVNRPUOJHUADN-MZKUHISZSA-N 1 1 477.609 2.410 20 0 JEADMO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710550 720082860 /nfs/dbraw/zinc/08/28/60/720082860.db2.gz JHVNRPUOJHUADN-MZKUHISZSA-N 1 1 477.609 2.410 20 0 JEADMO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710546 720082996 /nfs/dbraw/zinc/08/29/96/720082996.db2.gz JHVNRPUOJHUADN-DGWZTRNLSA-N 1 1 477.609 2.410 20 0 JEADMO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164710546 720083001 /nfs/dbraw/zinc/08/30/01/720083001.db2.gz JHVNRPUOJHUADN-DGWZTRNLSA-N 1 1 477.609 2.410 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164714217 720120516 /nfs/dbraw/zinc/12/05/16/720120516.db2.gz ASPPMKXEKKJHOF-RTWAWAEBSA-N 1 1 477.613 2.324 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164811036 720133474 /nfs/dbraw/zinc/13/34/74/720133474.db2.gz KOWAWRGFHHEADL-ZHRRBRCNSA-N 1 1 462.982 2.228 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nn2)CC1 ZINC001164809703 720139101 /nfs/dbraw/zinc/13/91/01/720139101.db2.gz IJBVXNUPDQPSKC-PXDATVDWSA-N 1 1 457.619 2.441 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164711324 720149176 /nfs/dbraw/zinc/14/91/76/720149176.db2.gz HEDKLOZHQFYNGS-QFIPXVFZSA-N 1 1 480.613 2.288 20 0 JEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164814238 720152231 /nfs/dbraw/zinc/15/22/31/720152231.db2.gz FDPIAEYJTVDIIB-RDTXWAMCSA-N 1 1 464.966 2.112 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)nn2)C1 ZINC001164815059 720171621 /nfs/dbraw/zinc/17/16/21/720171621.db2.gz HQBZDCANNKWXSB-OTPAQWSUSA-N 1 1 457.619 2.441 20 0 JEADMO CCOC(=O)c1cc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2[nH]1 ZINC001164715977 720190940 /nfs/dbraw/zinc/19/09/40/720190940.db2.gz NIIMZVHDDFYRTK-LJQANCHMSA-N 1 1 453.547 2.084 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(S(=O)(=O)N3CCCCC3)cn1)CCC2 ZINC001164814545 720237031 /nfs/dbraw/zinc/23/70/31/720237031.db2.gz XSPURVYLWJKKKY-UHFFFAOYSA-N 1 1 474.631 2.063 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)C1 ZINC001164812647 720238109 /nfs/dbraw/zinc/23/81/09/720238109.db2.gz HGBRNTIJPXELOW-LJQANCHMSA-N 1 1 483.617 2.063 20 0 JEADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)C2)C1 ZINC001164718189 720257377 /nfs/dbraw/zinc/25/73/77/720257377.db2.gz CRFZLDBGHHHMAP-RUZDIDTESA-N 1 1 466.561 2.284 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720496 720279267 /nfs/dbraw/zinc/27/92/67/720279267.db2.gz ABBXAUWVEKEBJT-AREMUKBSSA-N 1 1 461.566 2.390 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720496 720279273 /nfs/dbraw/zinc/27/92/73/720279273.db2.gz ABBXAUWVEKEBJT-AREMUKBSSA-N 1 1 461.566 2.390 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164721536 720289921 /nfs/dbraw/zinc/28/99/21/720289921.db2.gz KSDIPEOXVUYMPW-DEOSSOPVSA-N 1 1 450.543 2.258 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164721536 720289930 /nfs/dbraw/zinc/28/99/30/720289930.db2.gz KSDIPEOXVUYMPW-DEOSSOPVSA-N 1 1 450.543 2.258 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164723320 720300758 /nfs/dbraw/zinc/30/07/58/720300758.db2.gz NLOSDEHIMJTNLP-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164723320 720300765 /nfs/dbraw/zinc/30/07/65/720300765.db2.gz NLOSDEHIMJTNLP-QHCPKHFHSA-N 1 1 452.584 2.418 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164834660 720565625 /nfs/dbraw/zinc/56/56/25/720565625.db2.gz FOMBXURLXUWOTH-BHDDXSALSA-N 1 1 467.618 2.440 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739553 720630541 /nfs/dbraw/zinc/63/05/41/720630541.db2.gz FVSHQHBKLZNNCX-MOPGFXCFSA-N 1 1 491.577 2.109 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164737136 720694684 /nfs/dbraw/zinc/69/46/84/720694684.db2.gz DSDZMANBUGDANZ-LVCYWYKZSA-N 1 1 464.574 2.088 20 0 JEADMO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743372 720728746 /nfs/dbraw/zinc/72/87/46/720728746.db2.gz PTGQFGDWPPNXGX-QUCCMNQESA-N 1 1 480.594 2.470 20 0 JEADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164738027 720751795 /nfs/dbraw/zinc/75/17/95/720751795.db2.gz DOAORMHONSYZGP-FPOVZHCZSA-N 1 1 472.549 2.378 20 0 JEADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)CC1 ZINC001164746439 720772197 /nfs/dbraw/zinc/77/21/97/720772197.db2.gz YDSKZDXBMLIRRC-VQTJNVASSA-N 1 1 476.560 2.074 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164737709 720825178 /nfs/dbraw/zinc/82/51/78/720825178.db2.gz CEUKTIZJNIPHOI-RCCFBDPRSA-N 1 1 459.982 2.207 20 0 JEADMO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164742621 720830763 /nfs/dbraw/zinc/83/07/63/720830763.db2.gz QCVBAGDOAXRKEL-GUDVDZBRSA-N 1 1 459.982 2.339 20 0 JEADMO CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748861 720843978 /nfs/dbraw/zinc/84/39/78/720843978.db2.gz VAPKWKCVHPVJFU-YESZJQIVSA-N 1 1 450.996 2.109 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@@H]2C1 ZINC001164855387 720849332 /nfs/dbraw/zinc/84/93/32/720849332.db2.gz UDNPFLNKYONGLP-WBVHZDCISA-N 1 1 474.936 2.415 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164851560 720854661 /nfs/dbraw/zinc/85/46/61/720854661.db2.gz AYNYXJRDTXTPCN-UIFIKXQLSA-N 1 1 458.607 2.130 20 0 JEADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164750275 720859635 /nfs/dbraw/zinc/85/96/35/720859635.db2.gz PGVHKAAZOUQUFK-FCGDIQPGSA-N 1 1 459.982 2.269 20 0 JEADMO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753976 720861087 /nfs/dbraw/zinc/86/10/87/720861087.db2.gz ZJFHIAFAUSGSQL-ZIFCJYIRSA-N 1 1 458.998 2.241 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164853524 720869098 /nfs/dbraw/zinc/86/90/98/720869098.db2.gz GWYGQSAABZCNSJ-DENIHFKCSA-N 1 1 490.626 2.455 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)cc1 ZINC001164853524 720869101 /nfs/dbraw/zinc/86/91/01/720869101.db2.gz GWYGQSAABZCNSJ-DENIHFKCSA-N 1 1 490.626 2.455 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164853526 720869224 /nfs/dbraw/zinc/86/92/24/720869224.db2.gz GWYGQSAABZCNSJ-KNQAVFIVSA-N 1 1 490.626 2.455 20 0 JEADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)cc1 ZINC001164853526 720869229 /nfs/dbraw/zinc/86/92/29/720869229.db2.gz GWYGQSAABZCNSJ-KNQAVFIVSA-N 1 1 490.626 2.455 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754952 720873135 /nfs/dbraw/zinc/87/31/35/720873135.db2.gz UVDBNQCNAKNQHX-RPLLCQBOSA-N 1 1 477.657 2.379 20 0 JEADMO CN1CCN(c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)CC1 ZINC001164754952 720873138 /nfs/dbraw/zinc/87/31/38/720873138.db2.gz UVDBNQCNAKNQHX-RPLLCQBOSA-N 1 1 477.657 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)CC[C@@H]2C1 ZINC001164862219 720879397 /nfs/dbraw/zinc/87/93/97/720879397.db2.gz RJLGOKFZBXRLHH-OFNKIYASSA-N 1 1 470.593 2.116 20 0 JEADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]12)c1ccno1 ZINC001164859106 720907515 /nfs/dbraw/zinc/90/75/15/720907515.db2.gz OUQPYRVSCUOEIC-IZIIKQMZSA-N 1 1 474.565 2.294 20 0 JEADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]12)c1ccno1 ZINC001164859106 720907517 /nfs/dbraw/zinc/90/75/17/720907517.db2.gz OUQPYRVSCUOEIC-IZIIKQMZSA-N 1 1 474.565 2.294 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164746513 720943026 /nfs/dbraw/zinc/94/30/26/720943026.db2.gz BGAFJWKMLNJMFG-BWKNWUBXSA-N 1 1 489.686 2.339 20 0 JEADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164865918 721118688 /nfs/dbraw/zinc/11/86/88/721118688.db2.gz PTUBFUTWWSYXBL-PMACEKPBSA-N 1 1 477.521 2.355 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164876988 721151542 /nfs/dbraw/zinc/15/15/42/721151542.db2.gz NJUYRESBWZSUDH-WOJBJXKFSA-N 1 1 459.616 2.423 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876985 721151690 /nfs/dbraw/zinc/15/16/90/721151690.db2.gz NJUYRESBWZSUDH-PMACEKPBSA-N 1 1 459.616 2.423 20 0 JEADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164872634 721152029 /nfs/dbraw/zinc/15/20/29/721152029.db2.gz HYPHJBPDTYIISK-UXHICEINSA-N 1 1 457.962 2.082 20 0 JEADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164871647 721152602 /nfs/dbraw/zinc/15/26/02/721152602.db2.gz GCMHZNIIHLXDPW-NHCUHLMSSA-N 1 1 459.616 2.281 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc5ccn(S(=O)(=O)c6ccccc6)c5n4)C[C@H]3C2)cn1 ZINC001164774431 721187668 /nfs/dbraw/zinc/18/76/68/721187668.db2.gz ZEHAKAXIZAPUAY-LEWJYISDSA-N 1 1 477.594 2.360 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1C(=O)OCC ZINC001164870954 721193092 /nfs/dbraw/zinc/19/30/92/721193092.db2.gz XUEJBASDHVGGFJ-RBUKOAKNSA-N 1 1 454.527 2.310 20 0 JEADMO COCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(-c2ccccc2)n1 ZINC001164876836 721264196 /nfs/dbraw/zinc/26/41/96/721264196.db2.gz PYAJJWPVEHTCGU-UHFFFAOYSA-N 1 1 453.587 2.297 20 0 JEADMO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cnc1Cl ZINC001164869873 721268429 /nfs/dbraw/zinc/26/84/29/721268429.db2.gz RLQIFNSAZSCYQZ-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869890 721271562 /nfs/dbraw/zinc/27/15/62/721271562.db2.gz SJBKDIYJEMLEQX-UHFFFAOYSA-N 1 1 474.936 2.074 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)CC2)C1 ZINC001164873484 721279396 /nfs/dbraw/zinc/27/93/96/721279396.db2.gz MZMFEWLHVOIKKP-UHFFFAOYSA-N 1 1 478.956 2.463 20 0 JEADMO COC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c2ccccc2c1OC ZINC001164879203 721288002 /nfs/dbraw/zinc/28/80/02/721288002.db2.gz WYEWRDHJMVMBNK-UHFFFAOYSA-N 1 1 470.570 2.037 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)C1 ZINC001164874966 721289941 /nfs/dbraw/zinc/28/99/41/721289941.db2.gz FQSOUHPJNVDIJR-UHFFFAOYSA-N 1 1 450.587 2.034 20 0 JEADMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880597 721321241 /nfs/dbraw/zinc/32/12/41/721321241.db2.gz YOVXDXLHEMVAJP-AMDXRBSFSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880597 721321243 /nfs/dbraw/zinc/32/12/43/721321243.db2.gz YOVXDXLHEMVAJP-AMDXRBSFSA-N 1 1 485.592 2.239 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164779062 721340404 /nfs/dbraw/zinc/34/04/04/721340404.db2.gz QABPIKJJJOEBIJ-JOCHJYFZSA-N 1 1 477.997 2.085 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001164779062 721340410 /nfs/dbraw/zinc/34/04/10/721340410.db2.gz QABPIKJJJOEBIJ-JOCHJYFZSA-N 1 1 477.997 2.085 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccnc(-n4ccccc4=O)n3)C2)C1 ZINC001164782202 721368879 /nfs/dbraw/zinc/36/88/79/721368879.db2.gz LAOCMVSQMUEJFY-XMMPIXPASA-N 1 1 450.543 2.351 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccnc(-n4ccccc4=O)n3)C2)C1 ZINC001164782202 721368882 /nfs/dbraw/zinc/36/88/82/721368882.db2.gz LAOCMVSQMUEJFY-XMMPIXPASA-N 1 1 450.543 2.351 20 0 JEADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)C1 ZINC001164780034 721371088 /nfs/dbraw/zinc/37/10/88/721371088.db2.gz CMQSGKVXTXZBEM-FQEVSTJZSA-N 1 1 469.995 2.106 20 0 JEADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3S(N)(=O)=O)C2)C1 ZINC001164780034 721371091 /nfs/dbraw/zinc/37/10/91/721371091.db2.gz CMQSGKVXTXZBEM-FQEVSTJZSA-N 1 1 469.995 2.106 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891030 721405572 /nfs/dbraw/zinc/40/55/72/721405572.db2.gz VASPZTZBUJHURS-VGSWGCGISA-N 1 1 451.999 2.001 20 0 JEADMO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164891021 721406154 /nfs/dbraw/zinc/40/61/54/721406154.db2.gz VASPZTZBUJHURS-HTAPYJJXSA-N 1 1 451.999 2.001 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1C ZINC001164896541 721430910 /nfs/dbraw/zinc/43/09/10/721430910.db2.gz RLGKKDJUBKGSME-WAIKUNEKSA-N 1 1 477.009 2.174 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C3)O2)CC1 ZINC001164891529 721433867 /nfs/dbraw/zinc/43/38/67/721433867.db2.gz GWIKTQRIWZDDSJ-URXFXBBRSA-N 1 1 477.675 2.022 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)C3)O2)CC1 ZINC001164896646 721435337 /nfs/dbraw/zinc/43/53/37/721435337.db2.gz RRINDYAPPQMJSX-AUUYWEPGSA-N 1 1 455.941 2.268 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893649 721437455 /nfs/dbraw/zinc/43/74/55/721437455.db2.gz JVEABADFKAXRSU-HYBUGGRVSA-N 1 1 479.691 2.314 20 0 JEADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164784124 721448452 /nfs/dbraw/zinc/44/84/52/721448452.db2.gz DOJPPBLWIDYTRT-QGZVFWFLSA-N 1 1 473.039 2.267 20 0 JEADMO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C(=O)OCC ZINC001164893186 721452446 /nfs/dbraw/zinc/45/24/46/721452446.db2.gz YSIRTSHDDUNJJV-UQBPGWFLSA-N 1 1 474.602 2.200 20 0 JEADMO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164788811 721467440 /nfs/dbraw/zinc/46/74/40/721467440.db2.gz LIIHUFBFOLAXRV-FQEVSTJZSA-N 1 1 466.648 2.114 20 0 JEADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164901294 721524777 /nfs/dbraw/zinc/52/47/77/721524777.db2.gz WKBSOSBRTYSAFZ-WMZOPIPTSA-N 1 1 456.547 2.404 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164799048 721542286 /nfs/dbraw/zinc/54/22/86/721542286.db2.gz AKQPQHDREPKJBC-QWFCFKBJSA-N 1 1 467.599 2.186 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164799048 721542289 /nfs/dbraw/zinc/54/22/89/721542289.db2.gz AKQPQHDREPKJBC-QWFCFKBJSA-N 1 1 467.599 2.186 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164906787 721543259 /nfs/dbraw/zinc/54/32/59/721543259.db2.gz LHYBOTLEQZVHDI-TZIWHRDSSA-N 1 1 455.534 2.347 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164911522 721545294 /nfs/dbraw/zinc/54/52/94/721545294.db2.gz XCHVAUVDULFOGW-FPOVZHCZSA-N 1 1 455.534 2.347 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804735 721563633 /nfs/dbraw/zinc/56/36/33/721563633.db2.gz MPKCIUAHFZRNAG-ZWOKBUDYSA-N 1 1 485.976 2.306 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804735 721563636 /nfs/dbraw/zinc/56/36/36/721563636.db2.gz MPKCIUAHFZRNAG-ZWOKBUDYSA-N 1 1 485.976 2.306 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)CC1 ZINC001164808837 721566792 /nfs/dbraw/zinc/56/67/92/721566792.db2.gz VXOOOYUVDDLMAF-BHIFYINESA-N 1 1 466.586 2.129 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809536 721580651 /nfs/dbraw/zinc/58/06/51/721580651.db2.gz TUDNGNOFILULRZ-KCZVDYSFSA-N 1 1 464.570 2.175 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)[C@H]2CCCO[C@H]12 ZINC001164809543 721581206 /nfs/dbraw/zinc/58/12/06/721581206.db2.gz TUDNGNOFILULRZ-VWPQPMDRSA-N 1 1 464.570 2.175 20 0 JEADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164800291 721598054 /nfs/dbraw/zinc/59/80/54/721598054.db2.gz OQPRKWIIHAFSLA-AGILITTLSA-N 1 1 456.550 2.064 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCOCC1 ZINC001164905501 721716193 /nfs/dbraw/zinc/71/61/93/721716193.db2.gz GYLZPADHDWBGIM-QFIPXVFZSA-N 1 1 493.580 2.235 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(COCC(=O)N(C)C)nnc4C3)c2c1C ZINC001165009992 721723770 /nfs/dbraw/zinc/72/37/70/721723770.db2.gz DKOADRKTYXOWMN-UHFFFAOYSA-N 1 1 484.630 2.120 20 0 JEADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)nc1 ZINC001165012587 721751559 /nfs/dbraw/zinc/75/15/59/721751559.db2.gz FEHWRWYLMRFXIP-OAQYLSRUSA-N 1 1 490.612 2.259 20 0 JEADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]32)cc1 ZINC001165018734 721796941 /nfs/dbraw/zinc/79/69/41/721796941.db2.gz CHDYEVZWSPHYBD-PKTZIBPZSA-N 1 1 452.555 2.179 20 0 JEADMO NC(=S)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2sccc21 ZINC001164914722 721801359 /nfs/dbraw/zinc/80/13/59/721801359.db2.gz QXBFQCLUZLUNLN-JOCHJYFZSA-N 1 1 455.609 2.433 20 0 JEADMO NC(=S)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2sccc21 ZINC001164914722 721801360 /nfs/dbraw/zinc/80/13/60/721801360.db2.gz QXBFQCLUZLUNLN-JOCHJYFZSA-N 1 1 455.609 2.433 20 0 JEADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)c12 ZINC001164927312 721825139 /nfs/dbraw/zinc/82/51/39/721825139.db2.gz ZWSWYLAREVERPF-QFIPXVFZSA-N 1 1 472.571 2.007 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001165030204 721827173 /nfs/dbraw/zinc/82/71/73/721827173.db2.gz YVGQCFUPJJFZSG-ACIOBRDBSA-N 1 1 483.638 2.084 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001165030205 721827283 /nfs/dbraw/zinc/82/72/83/721827283.db2.gz YVGQCFUPJJFZSG-AKIFATBCSA-N 1 1 483.638 2.084 20 0 JEADMO COc1cccc(OC)c1CN1CCC(N(C)c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165022588 721842175 /nfs/dbraw/zinc/84/21/75/721842175.db2.gz PSXNMUNAEBZNLQ-UHFFFAOYSA-N 1 1 453.587 2.245 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164928506 721851685 /nfs/dbraw/zinc/85/16/85/721851685.db2.gz NTMRREGLOKIXSK-NHCUHLMSSA-N 1 1 454.600 2.191 20 0 JEADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164928506 721851686 /nfs/dbraw/zinc/85/16/86/721851686.db2.gz NTMRREGLOKIXSK-NHCUHLMSSA-N 1 1 454.600 2.191 20 0 JEADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165035048 721875516 /nfs/dbraw/zinc/87/55/16/721875516.db2.gz SRETZSFHDFOPMC-INIZCTEOSA-N 1 1 457.600 2.424 20 0 JEADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165034948 721875907 /nfs/dbraw/zinc/87/59/07/721875907.db2.gz QUMHHYCUDIJUFP-MRXNPFEDSA-N 1 1 457.600 2.424 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929259 721879423 /nfs/dbraw/zinc/87/94/23/721879423.db2.gz AXTHIENHZVKESW-OALUTQOASA-N 1 1 456.660 2.227 20 0 JEADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164929259 721879424 /nfs/dbraw/zinc/87/94/24/721879424.db2.gz AXTHIENHZVKESW-OALUTQOASA-N 1 1 456.660 2.227 20 0 JEADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955333 722008633 /nfs/dbraw/zinc/00/86/33/722008633.db2.gz USTKVFUVRKJHCQ-CJFMBICVSA-N 1 1 450.587 2.434 20 0 JEADMO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955333 722008637 /nfs/dbraw/zinc/00/86/37/722008637.db2.gz USTKVFUVRKJHCQ-CJFMBICVSA-N 1 1 450.587 2.434 20 0 JEADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)CC[C@H]23)cn1 ZINC001164958638 722031520 /nfs/dbraw/zinc/03/15/20/722031520.db2.gz PBRFFFDZYOKNLC-UFYCRDLUSA-N 1 1 458.994 2.336 20 0 JEADMO O=C([C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164961061 722045092 /nfs/dbraw/zinc/04/50/92/722045092.db2.gz KYDWGOKIHAPXBO-QFIPXVFZSA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@@H]1COC2(C1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164961061 722045094 /nfs/dbraw/zinc/04/50/94/722045094.db2.gz KYDWGOKIHAPXBO-QFIPXVFZSA-N 1 1 477.609 2.269 20 0 JEADMO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963804 722057248 /nfs/dbraw/zinc/05/72/48/722057248.db2.gz LTGXTASIZWAJOE-UHFFFAOYSA-N 1 1 451.358 2.396 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001164963312 722057717 /nfs/dbraw/zinc/05/77/17/722057717.db2.gz WNTBQMSVAUFCQA-UHFFFAOYSA-N 1 1 480.613 2.380 20 0 JEADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961592 722058206 /nfs/dbraw/zinc/05/82/06/722058206.db2.gz MKANEDOAJKMSGI-UHFFFAOYSA-N 1 1 480.613 2.380 20 0 JEADMO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963323 722060017 /nfs/dbraw/zinc/06/00/17/722060017.db2.gz WRGILLJOFIYKEP-UHFFFAOYSA-N 1 1 459.616 2.282 20 0 JEADMO COC(=O)c1cc2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2n1S(=O)(=O)c1ccccc1 ZINC001164966808 722072454 /nfs/dbraw/zinc/07/24/54/722072454.db2.gz DEWGMBGSGIDKMF-BGYRXZFFSA-N 1 1 496.589 2.359 20 0 JEADMO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C2)O4)n1)CCC3)N1CCOCC1 ZINC001164966958 722075876 /nfs/dbraw/zinc/07/58/76/722075876.db2.gz HOQSAHBAFPTZHG-HDICACEKSA-N 1 1 455.628 2.312 20 0 JEADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164969698 722079354 /nfs/dbraw/zinc/07/93/54/722079354.db2.gz MIEOOBHELAIDDD-QHCPKHFHSA-N 1 1 456.616 2.221 20 0 JEADMO c1nc2c(nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCOCC2)s1 ZINC001164975567 722108371 /nfs/dbraw/zinc/10/83/71/722108371.db2.gz JURJQRFBGWSSRT-RTBURBONSA-N 1 1 467.599 2.045 20 0 JEADMO c1nc2c(nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164975563 722108442 /nfs/dbraw/zinc/10/84/42/722108442.db2.gz JURJQRFBGWSSRT-OALUTQOASA-N 1 1 467.599 2.045 20 0 JEADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979581 722135227 /nfs/dbraw/zinc/13/52/27/722135227.db2.gz LIJZEKMCJDCMEA-MAUKXSAKSA-N 1 1 487.960 2.050 20 0 JEADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164973965 722158120 /nfs/dbraw/zinc/15/81/20/722158120.db2.gz NPPOPEZKLLTHEK-QTEQDKRBSA-N 1 1 451.571 2.267 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CCOCC1 ZINC001164996681 722204343 /nfs/dbraw/zinc/20/43/43/722204343.db2.gz VGPGUEGDSGEELZ-QHCPKHFHSA-N 1 1 460.575 2.487 20 0 JEADMO O=S(=O)(c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CCOCC1 ZINC001164996681 722204346 /nfs/dbraw/zinc/20/43/46/722204346.db2.gz VGPGUEGDSGEELZ-QHCPKHFHSA-N 1 1 460.575 2.487 20 0 JEADMO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994309 722212456 /nfs/dbraw/zinc/21/24/56/722212456.db2.gz ALIBSZLHZGSWPX-XMMPIXPASA-N 1 1 464.549 2.481 20 0 JEADMO COC(=O)c1ccc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(Cl)n1 ZINC001164997585 722232831 /nfs/dbraw/zinc/23/28/31/722232831.db2.gz REWXSFPUDBCWTQ-UHFFFAOYSA-N 1 1 466.920 2.214 20 0 JEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996316 722233149 /nfs/dbraw/zinc/23/31/49/722233149.db2.gz BTACHNZQHJMGPO-UHFFFAOYSA-N 1 1 478.022 2.176 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC3)CC1 ZINC001164996334 722234793 /nfs/dbraw/zinc/23/47/93/722234793.db2.gz CBONXQZPJJHCSI-UHFFFAOYSA-N 1 1 458.010 2.410 20 0 JEADMO O=C(NC[C@@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)c1ccnnc1 ZINC001165003345 722241340 /nfs/dbraw/zinc/24/13/40/722241340.db2.gz KCVDHHWDNZVYFM-QGZVFWFLSA-N 1 1 466.977 2.384 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5CC(F)(F)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408624 718870401 /nfs/dbraw/zinc/87/04/01/718870401.db2.gz MUIYULQENMHUSN-NVXWUHKLSA-N 1 1 464.586 2.367 20 0 JEADMO C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5CC(F)(F)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164408626 718870510 /nfs/dbraw/zinc/87/05/10/718870510.db2.gz MUIYULQENMHUSN-RDJZCZTQSA-N 1 1 464.586 2.367 20 0 JEADMO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164428393 718954999 /nfs/dbraw/zinc/95/49/99/718954999.db2.gz LAHWGNSVTALDGN-QFIPXVFZSA-N 1 1 464.614 2.230 20 0 JEADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164435106 718977882 /nfs/dbraw/zinc/97/78/82/718977882.db2.gz ZBDMPQJPTJPUDU-JDITYXQVSA-N 1 1 488.629 2.429 20 0 JEADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164435106 718977885 /nfs/dbraw/zinc/97/78/85/718977885.db2.gz ZBDMPQJPTJPUDU-JDITYXQVSA-N 1 1 488.629 2.429 20 0 JEADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164435107 718978184 /nfs/dbraw/zinc/97/81/84/718978184.db2.gz ZBDMPQJPTJPUDU-OFUUFJSKSA-N 1 1 488.629 2.429 20 0 JEADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164435107 718978196 /nfs/dbraw/zinc/97/81/96/718978196.db2.gz ZBDMPQJPTJPUDU-OFUUFJSKSA-N 1 1 488.629 2.429 20 0 JEADMO O=C(COCc1nnn2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2)N1CCCC1 ZINC001164632941 719259214 /nfs/dbraw/zinc/25/92/14/719259214.db2.gz BSYYBOMFBIJQFW-UHFFFAOYSA-N 1 1 474.009 2.472 20 0 JEADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC2)C1=O ZINC001164633972 719271847 /nfs/dbraw/zinc/27/18/47/719271847.db2.gz KHRBVUNTYRNJCH-UHFFFAOYSA-N 1 1 484.004 2.287 20 0 JEADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC2)C1=O ZINC001164633972 719271851 /nfs/dbraw/zinc/27/18/51/719271851.db2.gz KHRBVUNTYRNJCH-UHFFFAOYSA-N 1 1 484.004 2.287 20 0 JEADMO CCOc1cc2ncnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)c2cc1OCC ZINC001164641942 719274712 /nfs/dbraw/zinc/27/47/12/719274712.db2.gz VDPQFBIEYLDMMN-UHFFFAOYSA-N 1 1 457.575 2.187 20 0 JEADMO CCOc1cc2ncnc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)c2cc1OCC ZINC001164641942 719274716 /nfs/dbraw/zinc/27/47/16/719274716.db2.gz VDPQFBIEYLDMMN-UHFFFAOYSA-N 1 1 457.575 2.187 20 0 JEADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)CC2 ZINC001164651036 719314067 /nfs/dbraw/zinc/31/40/67/719314067.db2.gz GXQQMSUAISDXTQ-UHFFFAOYSA-N 1 1 462.954 2.329 20 0 JEADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCn4c(CN5CCOCC5)nnc4C3)c2c1C ZINC001164681305 719586093 /nfs/dbraw/zinc/58/60/93/719586093.db2.gz XIADWWBVFYQGRU-UHFFFAOYSA-N 1 1 468.631 2.348 20 0 JEADMO CN1CCN(c2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)CC1 ZINC001164683401 719658629 /nfs/dbraw/zinc/65/86/29/719658629.db2.gz VFVKVIRAHKNSLR-QFIPXVFZSA-N 1 1 491.684 2.322 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)c2)CC1 ZINC001164697155 719820314 /nfs/dbraw/zinc/82/03/14/719820314.db2.gz AEGGJMINPRLKOZ-CTUHWIOQSA-N 1 1 465.598 2.292 20 0 JEADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(C(=O)NCC(C)C)ccc21 ZINC001164706901 719863136 /nfs/dbraw/zinc/86/31/36/719863136.db2.gz ZMRFFHBRWSYIDW-DFBJGRDBSA-N 1 1 469.586 2.248 20 0 JEADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(=O)n(Cc3ccc(OC)cc3)cc-2[nH]1 ZINC001164704336 719866548 /nfs/dbraw/zinc/86/65/48/719866548.db2.gz LBHKHDUAIUSCRF-HRFSGMKKSA-N 1 1 494.592 2.479 20 0 JEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164709773 719911598 /nfs/dbraw/zinc/91/15/98/719911598.db2.gz ZYWWUKVGFYSERQ-UHFFFAOYSA-N 1 1 488.571 2.303 20 0 JEADMO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164706314 719914815 /nfs/dbraw/zinc/91/48/15/719914815.db2.gz HMICZKOBYXFPAX-YMPZKCBVSA-N 1 1 463.582 2.288 20 0 JEADMO O=C([C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164706314 719914835 /nfs/dbraw/zinc/91/48/35/719914835.db2.gz HMICZKOBYXFPAX-YMPZKCBVSA-N 1 1 463.582 2.288 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164715666 720052658 /nfs/dbraw/zinc/05/26/58/720052658.db2.gz TVRCGBMEYBAPQZ-AMDXRBSFSA-N 1 1 485.592 2.239 20 0 JEADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164715666 720052662 /nfs/dbraw/zinc/05/26/62/720052662.db2.gz TVRCGBMEYBAPQZ-AMDXRBSFSA-N 1 1 485.592 2.239 20 0 JEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)CC2 ZINC001164718597 720107482 /nfs/dbraw/zinc/10/74/82/720107482.db2.gz SZHMEQCIZXHENK-OAQYLSRUSA-N 1 1 492.628 2.102 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164718576 720111893 /nfs/dbraw/zinc/11/18/93/720111893.db2.gz SPRYFEXYPOKURF-KRWDZBQOSA-N 1 1 466.007 2.285 20 0 JEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164719512 720120684 /nfs/dbraw/zinc/12/06/84/720120684.db2.gz XRHQCHWTFRNTCE-MJGOQNOKSA-N 1 1 451.575 2.156 20 0 JEADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164811033 720133884 /nfs/dbraw/zinc/13/38/84/720133884.db2.gz KOWAWRGFHHEADL-AOMKIAJQSA-N 1 1 462.982 2.228 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)nn2)CC1 ZINC001164809702 720140281 /nfs/dbraw/zinc/14/02/81/720140281.db2.gz IJBVXNUPDQPSKC-OFVILXPXSA-N 1 1 457.619 2.441 20 0 JEADMO COC(=O)c1cc2c(OC)[nH]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)cc-2n1 ZINC001164812886 720222160 /nfs/dbraw/zinc/22/21/60/720222160.db2.gz KBOAVEOXUHELAT-UHFFFAOYSA-N 1 1 454.531 2.165 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C2)C1 ZINC001164720378 720224703 /nfs/dbraw/zinc/22/47/03/720224703.db2.gz ZQRYIUFAWSZMMD-HSZRJFAPSA-N 1 1 464.010 2.026 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C2)C1 ZINC001164720378 720224716 /nfs/dbraw/zinc/22/47/16/720224716.db2.gz ZQRYIUFAWSZMMD-HSZRJFAPSA-N 1 1 464.010 2.026 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C2)C1 ZINC001164720379 720225265 /nfs/dbraw/zinc/22/52/65/720225265.db2.gz ZQRYIUFAWSZMMD-QHCPKHFHSA-N 1 1 464.010 2.026 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C2)C1 ZINC001164720379 720225276 /nfs/dbraw/zinc/22/52/76/720225276.db2.gz ZQRYIUFAWSZMMD-QHCPKHFHSA-N 1 1 464.010 2.026 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1C ZINC001164813896 720233913 /nfs/dbraw/zinc/23/39/13/720233913.db2.gz QZOPTGZVMVZBBM-UHFFFAOYSA-N 1 1 473.965 2.216 20 0 JEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CCC2 ZINC001164817131 720247897 /nfs/dbraw/zinc/24/78/97/720247897.db2.gz PFMORTDBUYSXCU-UHFFFAOYSA-N 1 1 482.416 2.427 20 0 JEADMO O=C(NC[C@@H]1CC[C@]2(COCCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1cnccn1 ZINC001164820259 720272340 /nfs/dbraw/zinc/27/23/40/720272340.db2.gz VGPWVZYEBKWGRU-CYFREDJKSA-N 1 1 487.004 2.305 20 0 JEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720498 720278276 /nfs/dbraw/zinc/27/82/76/720278276.db2.gz ABBXAUWVEKEBJT-SANMLTNESA-N 1 1 461.566 2.390 20 0 JEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164720498 720278284 /nfs/dbraw/zinc/27/82/84/720278284.db2.gz ABBXAUWVEKEBJT-SANMLTNESA-N 1 1 461.566 2.390 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2c1 ZINC001164722897 720279898 /nfs/dbraw/zinc/27/98/98/720279898.db2.gz TVMSIVQMKNTWDD-QHCPKHFHSA-N 1 1 475.977 2.125 20 0 JEADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2c1 ZINC001164722897 720279913 /nfs/dbraw/zinc/27/99/13/720279913.db2.gz TVMSIVQMKNTWDD-QHCPKHFHSA-N 1 1 475.977 2.125 20 0 JEADMO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)C1 ZINC001164734529 720520874 /nfs/dbraw/zinc/52/08/74/720520874.db2.gz PVXYBYGWZVUGIF-VQTJNVASSA-N 1 1 483.661 2.275 20 0 JEADMO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164834664 720566136 /nfs/dbraw/zinc/56/61/36/720566136.db2.gz FOMBXURLXUWOTH-FDFHNCONSA-N 1 1 467.618 2.440 20 0 JEADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)CC[C@@H]21 ZINC001164835509 720573637 /nfs/dbraw/zinc/57/36/37/720573637.db2.gz HPNNUPIFVUBALO-HKBOAZHASA-N 1 1 458.632 2.440 20 0 JEADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842166 720577649 /nfs/dbraw/zinc/57/76/49/720577649.db2.gz XBJISLSDDBKPEX-JAXLGGSGSA-N 1 1 483.617 2.064 20 0 JEADMO Cc1cc2c(ncnc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164746254 720650886 /nfs/dbraw/zinc/65/08/86/720650886.db2.gz WKFNCVUCHNWURY-OALUTQOASA-N 1 1 491.577 2.109 20 0 JEADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164737135 720695347 /nfs/dbraw/zinc/69/53/47/720695347.db2.gz DSDZMANBUGDANZ-DBXWQHBBSA-N 1 1 464.574 2.088 20 0 JEADMO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737055 720721995 /nfs/dbraw/zinc/72/19/95/720721995.db2.gz CSVCXIDBCKVUDK-UXHICEINSA-N 1 1 459.558 2.056 20 0 JEADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164745860 720736163 /nfs/dbraw/zinc/73/61/63/720736163.db2.gz WAYYOLOPFIMUAS-IRXDYDNUSA-N 1 1 470.574 2.490 20 0 JEADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738547 720739364 /nfs/dbraw/zinc/73/93/64/720739364.db2.gz FYFGSNAZAYLNAU-QVHAGIGGSA-N 1 1 480.569 2.384 20 0 JEADMO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c2[nH]cnc21 ZINC001164739921 720751501 /nfs/dbraw/zinc/75/15/01/720751501.db2.gz JTIJAIBLQGFUCS-LSDHHAIUSA-N 1 1 452.519 2.437 20 0 JEADMO COc1ccc(Cn2cc3[nH]c(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164738024 720752310 /nfs/dbraw/zinc/75/23/10/720752310.db2.gz DOAORMHONSYZGP-CTNGQTDRSA-N 1 1 472.549 2.378 20 0 JEADMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164740409 720761978 /nfs/dbraw/zinc/76/19/78/720761978.db2.gz KVTXGMJXLNTSKN-RTBURBONSA-N 1 1 481.626 2.272 20 0 JEADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5nc4N4CCOCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738767 720827434 /nfs/dbraw/zinc/82/74/34/720827434.db2.gz GJYVOCPFBFTXJL-PQNGQFLHSA-N 1 1 474.613 2.437 20 0 JEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742195 720829973 /nfs/dbraw/zinc/82/99/73/720829973.db2.gz QBGLAYGVBFLUOX-ZHALLVOQSA-N 1 1 459.982 2.207 20 0 JEADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749428 720837490 /nfs/dbraw/zinc/83/74/90/720837490.db2.gz VVHJAUGSFMMFCH-DNVJHFABSA-N 1 1 494.644 2.227 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4S(=O)(=O)c3ccc(C)cc3)CC[C@H]2C1 ZINC001164853769 720837898 /nfs/dbraw/zinc/83/78/98/720837898.db2.gz PFFBABDJAUTBKB-UGKGYDQZSA-N 1 1 485.610 2.150 20 0 JEADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1=O ZINC001164750241 720844007 /nfs/dbraw/zinc/84/40/07/720844007.db2.gz WUZMSWXYAJPIFY-ZIFCJYIRSA-N 1 1 471.009 2.465 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1C ZINC001164747385 720844212 /nfs/dbraw/zinc/84/42/12/720844212.db2.gz QKSYMQXNPTZCOC-SOLBZPMBSA-N 1 1 484.992 2.379 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@@H]2C1 ZINC001164855383 720849568 /nfs/dbraw/zinc/84/95/68/720849568.db2.gz UDNPFLNKYONGLP-NVXWUHKLSA-N 1 1 474.936 2.415 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747673 720860410 /nfs/dbraw/zinc/86/04/10/720860410.db2.gz JACLCJBTTZLIKV-LAVFITLUSA-N 1 1 459.982 2.377 20 0 JEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747671 720860564 /nfs/dbraw/zinc/86/05/64/720860564.db2.gz JACLCJBTTZLIKV-BZZMCLGOSA-N 1 1 459.982 2.377 20 0 JEADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164863701 720875795 /nfs/dbraw/zinc/87/57/95/720875795.db2.gz UADHTKUAGNGPHI-AZUAARDMSA-N 1 1 487.670 2.186 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)Nc4nncs4)cc3Cl)CC[C@H]2C1 ZINC001164855764 720880113 /nfs/dbraw/zinc/88/01/13/720880113.db2.gz HVIPMZNDHUAZOE-BBRMVZONSA-N 1 1 452.968 2.012 20 0 JEADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)CC[C@@H]2C1 ZINC001164853391 720881845 /nfs/dbraw/zinc/88/18/45/720881845.db2.gz CJNQJZOKIRMGGA-IERDGZPVSA-N 1 1 482.553 2.334 20 0 JEADMO COC(=O)c1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1OC ZINC001164754252 720938281 /nfs/dbraw/zinc/93/82/81/720938281.db2.gz VOFWRWAJMHNNAO-NBGIEHNGSA-N 1 1 467.570 2.422 20 0 JEADMO NS(=O)(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164750851 720938480 /nfs/dbraw/zinc/93/84/80/720938480.db2.gz KYRYOYXONKJLNA-XXBNENTESA-N 1 1 475.590 2.018 20 0 JEADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@H](C(=O)NCc5ccccn5)[C@@H]4C3)c2)CC1 ZINC001164757631 721022439 /nfs/dbraw/zinc/02/24/39/721022439.db2.gz FHSQOJUBGDLZTI-HJOGWXRNSA-N 1 1 465.598 2.497 20 0 JEADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867694 721061281 /nfs/dbraw/zinc/06/12/81/721061281.db2.gz JSIAKFYJRCARBV-MSOLQXFVSA-N 1 1 480.947 2.386 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nc(N5CCOCC5)nc4Cl)C[C@@H]3C2)cn1 ZINC001164767271 721150474 /nfs/dbraw/zinc/15/04/74/721150474.db2.gz MFVFTHRICIBWFS-CVEARBPZSA-N 1 1 452.390 2.312 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872295 721151659 /nfs/dbraw/zinc/15/16/59/721151659.db2.gz HHRZPCDLMSWRET-TYPHKJRUSA-N 1 1 459.616 2.423 20 0 JEADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164876987 721152088 /nfs/dbraw/zinc/15/20/88/721152088.db2.gz NJUYRESBWZSUDH-VQTJNVASSA-N 1 1 459.616 2.423 20 0 JEADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1C(=O)OCC ZINC001164870951 721192711 /nfs/dbraw/zinc/19/27/11/721192711.db2.gz XUEJBASDHVGGFJ-OALUTQOASA-N 1 1 454.527 2.310 20 0 JEADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869196 721212323 /nfs/dbraw/zinc/21/23/23/721212323.db2.gz PDOCBYCJJJMIDA-JIPXPUAJSA-N 1 1 485.592 2.383 20 0 JEADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164869196 721212331 /nfs/dbraw/zinc/21/23/31/721212331.db2.gz PDOCBYCJJJMIDA-JIPXPUAJSA-N 1 1 485.592 2.383 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164762037 721223091 /nfs/dbraw/zinc/22/30/91/721223091.db2.gz BYVSBRXAEHGCJY-XZOQPEGZSA-N 1 1 458.614 2.495 20 0 JEADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)C[C@H]3C2)cn1 ZINC001164769870 721248624 /nfs/dbraw/zinc/24/86/24/721248624.db2.gz ZWNJOHLKKRDDHP-HZPDHXFCSA-N 1 1 452.390 2.312 20 0 JEADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164870427 721269897 /nfs/dbraw/zinc/26/98/97/721269897.db2.gz YNTVSBBYGQTHPB-UHFFFAOYSA-N 1 1 487.626 2.389 20 0 JEADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C ZINC001164868990 721273110 /nfs/dbraw/zinc/27/31/10/721273110.db2.gz IMUZDOIDQSGAST-UHFFFAOYSA-N 1 1 452.983 2.227 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ccc3CN3CCCC3)CC2)C1 ZINC001164874520 721275791 /nfs/dbraw/zinc/27/57/91/721275791.db2.gz TXLZBFRYVGXMHX-UHFFFAOYSA-N 1 1 450.027 2.338 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)CC2)C1 ZINC001164874523 721278695 /nfs/dbraw/zinc/27/86/95/721278695.db2.gz TXZXGJHSUWELKE-UHFFFAOYSA-N 1 1 478.956 2.463 20 0 JEADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(Cl)n1 ZINC001164873307 721282509 /nfs/dbraw/zinc/28/25/09/721282509.db2.gz LCAVVQQYUCXLQB-UHFFFAOYSA-N 1 1 488.963 2.464 20 0 JEADMO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)c(OC)c1 ZINC001164877163 721288731 /nfs/dbraw/zinc/28/87/31/721288731.db2.gz LWANSXDHUQPZAK-UHFFFAOYSA-N 1 1 469.586 2.168 20 0 JEADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)C1 ZINC001164878636 721292101 /nfs/dbraw/zinc/29/21/01/721292101.db2.gz RQIKMBXGWDJCKD-UHFFFAOYSA-N 1 1 489.951 2.379 20 0 JEADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884718 721420413 /nfs/dbraw/zinc/42/04/13/721420413.db2.gz FKBVAUQTRJVOKO-OFVILXPXSA-N 1 1 451.619 2.370 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH]1 ZINC001164891930 721420620 /nfs/dbraw/zinc/42/06/20/721420620.db2.gz WRQJCIKKGIRINO-OYHNWAKOSA-N 1 1 462.982 2.163 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(CO)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164898682 721426211 /nfs/dbraw/zinc/42/62/11/721426211.db2.gz WLSCSTWJRCZLLN-CPJSRVTESA-N 1 1 459.635 2.324 20 0 JEADMO COC(=O)c1c(Cl)cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1OC ZINC001164899878 721429154 /nfs/dbraw/zinc/42/91/54/721429154.db2.gz ZLJVYYBNOXMUCT-KSFYIVLOSA-N 1 1 452.983 2.296 20 0 JEADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C(N)=O)C3)O2)CC1 ZINC001164894305 721429960 /nfs/dbraw/zinc/42/99/60/721429960.db2.gz LLLDSYHBJOCUSS-QRWLVFNGSA-N 1 1 457.953 2.144 20 0 JEADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1C ZINC001164896531 721431000 /nfs/dbraw/zinc/43/10/00/721431000.db2.gz RLGKKDJUBKGSME-MWTRTKDXSA-N 1 1 477.009 2.174 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C3)O2)CC1 ZINC001164891534 721433953 /nfs/dbraw/zinc/43/39/53/721433953.db2.gz GWIKTQRIWZDDSJ-XUZZJYLKSA-N 1 1 477.675 2.022 20 0 JEADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)C1 ZINC001164894251 721435818 /nfs/dbraw/zinc/43/58/18/721435818.db2.gz LFUYGXFDEHBXDB-DRLORSAXSA-N 1 1 486.661 2.022 20 0 JEADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164888734 721437186 /nfs/dbraw/zinc/43/71/86/721437186.db2.gz AOVHJJXIZOZPHW-YZUZCNPQSA-N 1 1 479.691 2.314 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893729 721437412 /nfs/dbraw/zinc/43/74/12/721437412.db2.gz KDUVTSVHZLTSHW-XUZZJYLKSA-N 1 1 479.691 2.314 20 0 JEADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164893727 721437422 /nfs/dbraw/zinc/43/74/22/721437422.db2.gz KDUVTSVHZLTSHW-URXFXBBRSA-N 1 1 479.691 2.314 20 0 JEADMO COC(=O)c1nc(Cl)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164889643 721450859 /nfs/dbraw/zinc/45/08/59/721450859.db2.gz OSBLMGHSCNNUND-VLIAUNLRSA-N 1 1 458.390 2.335 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)C3)O2)CC1 ZINC001164888462 721451679 /nfs/dbraw/zinc/45/16/79/721451679.db2.gz MKDIFQUDDKLHPJ-NPPFBWRTSA-N 1 1 451.999 2.063 20 0 JEADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)C3)O2)CC1 ZINC001164888465 721451804 /nfs/dbraw/zinc/45/18/04/721451804.db2.gz MKDIFQUDDKLHPJ-SVMVAKDDSA-N 1 1 451.999 2.063 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164789212 721469443 /nfs/dbraw/zinc/46/94/43/721469443.db2.gz LWUGZKLEOCURHK-QFIPXVFZSA-N 1 1 487.645 2.119 20 0 JEADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164788770 721469807 /nfs/dbraw/zinc/46/98/07/721469807.db2.gz KEQRZFBOVBIMEX-KRWDZBQOSA-N 1 1 473.039 2.116 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C(=O)OCC ZINC001164801379 721541767 /nfs/dbraw/zinc/54/17/67/721541767.db2.gz FDAMPQSTCNGNBO-ZJOUEHCJSA-N 1 1 469.542 2.093 20 0 JEADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C(=O)OCC ZINC001164801379 721541769 /nfs/dbraw/zinc/54/17/69/721541769.db2.gz FDAMPQSTCNGNBO-ZJOUEHCJSA-N 1 1 469.542 2.093 20 0 JEADMO COC(=O)C1CCN(c2nccnc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001164910996 721544436 /nfs/dbraw/zinc/54/44/36/721544436.db2.gz UXVAISIXGRQVSI-FPOVZHCZSA-N 1 1 455.534 2.347 20 0 JEADMO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)C1=O ZINC001164909261 721556167 /nfs/dbraw/zinc/55/61/67/721556167.db2.gz UDEXTJKAVCAERK-AZUAARDMSA-N 1 1 453.518 2.393 20 0 JEADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804729 721576037 /nfs/dbraw/zinc/57/60/37/721576037.db2.gz MOXOJFYVEOOSEL-BHDDXSALSA-N 1 1 464.618 2.335 20 0 JEADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164804729 721576042 /nfs/dbraw/zinc/57/60/42/721576042.db2.gz MOXOJFYVEOOSEL-BHDDXSALSA-N 1 1 464.618 2.335 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164806917 721577432 /nfs/dbraw/zinc/57/74/32/721577432.db2.gz NQGXKPMIWCIOKF-FUDKSRODSA-N 1 1 459.616 2.375 20 0 JEADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164806917 721577433 /nfs/dbraw/zinc/57/74/33/721577433.db2.gz NQGXKPMIWCIOKF-FUDKSRODSA-N 1 1 459.616 2.375 20 0 JEADMO FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)CNC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904376 721719840 /nfs/dbraw/zinc/71/98/40/721719840.db2.gz CXBPZPXQCVPTOX-HSZRJFAPSA-N 1 1 471.556 2.049 20 0 JEADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(COCC(=O)N(C)C)nnc3C2)n1 ZINC001165010470 721723517 /nfs/dbraw/zinc/72/35/17/721723517.db2.gz HOTJCMLCMVQCMB-UHFFFAOYSA-N 1 1 486.646 2.366 20 0 JEADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164913499 721724013 /nfs/dbraw/zinc/72/40/13/721724013.db2.gz WKTYPRZAWJBOPD-JOCHJYFZSA-N 1 1 493.580 2.235 20 0 JEADMO CCOC(=O)c1nc2ccccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912098 721771287 /nfs/dbraw/zinc/77/12/87/721771287.db2.gz KFYWPDWFKMGNRK-RUZDIDTESA-N 1 1 463.538 2.309 20 0 JEADMO CCOC(=O)c1nc2ccccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912098 721771289 /nfs/dbraw/zinc/77/12/89/721771289.db2.gz KFYWPDWFKMGNRK-RUZDIDTESA-N 1 1 463.538 2.309 20 0 JEADMO O=C([C@H]1C[C@]2(CO1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014160 721775833 /nfs/dbraw/zinc/77/58/33/721775833.db2.gz ANYPNAGCXVHNJG-SHQCIBLASA-N 1 1 477.609 2.269 20 0 JEADMO O=C([C@H]1C[C@]2(CO1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165014160 721775844 /nfs/dbraw/zinc/77/58/44/721775844.db2.gz ANYPNAGCXVHNJG-SHQCIBLASA-N 1 1 477.609 2.269 20 0 JEADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]32)cc1 ZINC001165018733 721796982 /nfs/dbraw/zinc/79/69/82/721796982.db2.gz CHDYEVZWSPHYBD-GOTSBHOMSA-N 1 1 452.555 2.179 20 0 JEADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@H]21 ZINC001165029021 721823859 /nfs/dbraw/zinc/82/38/59/721823859.db2.gz WLLMFGDMDQLVOF-UEVCKROQSA-N 1 1 471.627 2.234 20 0 JEADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932346 721883780 /nfs/dbraw/zinc/88/37/80/721883780.db2.gz IZLLIURKKCDPPH-PMACEKPBSA-N 1 1 451.543 2.375 20 0 JEADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001164932346 721883782 /nfs/dbraw/zinc/88/37/82/721883782.db2.gz IZLLIURKKCDPPH-PMACEKPBSA-N 1 1 451.543 2.375 20 0 JEADMO O=C(CO[C@@H]1CO[C@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939137 721917375 /nfs/dbraw/zinc/91/73/75/721917375.db2.gz SEZYAIIRMVTSIS-WXVAWEFUSA-N 1 1 477.609 2.412 20 0 JEADMO O=C(CO[C@@H]1CO[C@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1)N1CCCC1 ZINC001164939137 721917382 /nfs/dbraw/zinc/91/73/82/721917382.db2.gz SEZYAIIRMVTSIS-WXVAWEFUSA-N 1 1 477.609 2.412 20 0 JEADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5c(c(N6CCOCC6)n4)CNC5)CC3)C2)cc1 ZINC001164939944 721929758 /nfs/dbraw/zinc/92/97/58/721929758.db2.gz PAVXAXAZZYRHOZ-UHFFFAOYSA-N 1 1 464.614 2.096 20 0 JEADMO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955334 722008583 /nfs/dbraw/zinc/00/85/83/722008583.db2.gz USTKVFUVRKJHCQ-CPJSRVTESA-N 1 1 450.587 2.434 20 0 JEADMO CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164955334 722008586 /nfs/dbraw/zinc/00/85/86/722008586.db2.gz USTKVFUVRKJHCQ-CPJSRVTESA-N 1 1 450.587 2.434 20 0 JEADMO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)cc21 ZINC001164977352 722114559 /nfs/dbraw/zinc/11/45/59/722114559.db2.gz MSTWXVIDCCLHHE-GBXCKJPGSA-N 1 1 458.566 2.485 20 0 JEADMO O=C(c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164972617 722143917 /nfs/dbraw/zinc/14/39/17/722143917.db2.gz AEWZWNZKOUKBMP-KNQAVFIVSA-N 1 1 471.989 2.330 20 0 JEADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997958 722234414 /nfs/dbraw/zinc/23/44/14/722234414.db2.gz ZBNQDKBPKJKWMW-UHFFFAOYSA-N 1 1 466.373 2.107 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(-c4cnc(N5CCCCC5)nc4)n2)CC3)CC1 ZINC001164996744 722235097 /nfs/dbraw/zinc/23/50/97/722235097.db2.gz IVUKKJSOVCTMNO-UHFFFAOYSA-N 1 1 486.628 2.071 20 0 JEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(NC(=O)OC(C)(C)C)c4nc[nH]c42)CC3)CC1 ZINC001165001192 722236862 /nfs/dbraw/zinc/23/68/62/722236862.db2.gz DBKIDVAFJWFZMR-UHFFFAOYSA-N 1 1 479.589 2.452 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002810 722243167 /nfs/dbraw/zinc/24/31/67/722243167.db2.gz GOKUZPLNHABDSG-SQJMNOBHSA-N 1 1 472.593 2.351 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002810 722243168 /nfs/dbraw/zinc/24/31/68/722243168.db2.gz GOKUZPLNHABDSG-SQJMNOBHSA-N 1 1 472.593 2.351 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002809 722243173 /nfs/dbraw/zinc/24/31/73/722243173.db2.gz GOKUZPLNHABDSG-PXDATVDWSA-N 1 1 472.593 2.351 20 0 JEADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002809 722243174 /nfs/dbraw/zinc/24/31/74/722243174.db2.gz GOKUZPLNHABDSG-PXDATVDWSA-N 1 1 472.593 2.351 20 0 JEADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000058172944 195371202 /nfs/dbraw/zinc/37/12/02/195371202.db2.gz UJOUUPFEDJLXJK-OAQYLSRUSA-N 1 1 456.568 2.042 20 0 JEADMO